#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b7t n GLY 2 N 0.00 -0.71 0.00 -1.23 0.00 -1.26 -4.89 105.19 97.10 2b7t n GLY 2 Ca 0.00 0.54 0.04 0.00 0.00 0.00 0.00 46.02 46.60 2b7t n GLY 2 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2b7t n PRO 3 N 0.70 0.26 0.00 1.61 -0.04 -1.26 -1.24 135.00 135.04 2b7t n PRO 3 Ca 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 2b7t n PRO 3 Cb 0.72 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 2b7t n PRO 3 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2b7t n VAL 4 N -0.97 0.00 -3.18 0.52 0.31 -1.26 -4.81 118.33 108.94 2b7t n VAL 4 Ca 0.06 -0.49 -0.23 0.00 -0.01 0.00 0.00 64.34 63.67 2b7t n VAL 4 Cb 0.03 1.03 -0.06 0.00 -0.91 0.00 0.00 33.84 33.92 2b7t n VAL 4 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2b7t n LEU 5 N -0.18 -0.25 -0.03 7.52 7.94 -0.37 -5.05 117.00 126.59 2b7t n LEU 5 Ca 0.01 -4.50 0.24 0.00 -1.11 0.00 0.00 56.01 50.65 2b7t n LEU 5 Cb 0.04 0.64 0.72 0.00 0.53 0.00 0.00 43.42 45.35 2b7t n LEU 5 CO 0.02 2.03 1.22 -0.65 -1.11 0.00 0.00 177.39 178.89 2b7t h PRO 6 N 4.28 0.00 -0.95 1.96 0.11 -1.87 -0.89 132.00 134.65 2b7t h PRO 6 Ca 0.09 0.00 0.29 0.00 0.11 0.00 0.00 66.00 66.49 2b7t h PRO 6 Cb 0.90 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.86 2b7t h PRO 6 CO 0.43 0.00 0.35 -0.22 -0.21 0.00 0.00 178.00 178.34 2b7t h LYS 7 N 0.00 0.18 0.39 1.05 3.64 -1.97 -1.70 116.57 118.17 2b7t h LYS 7 Ca 0.30 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2b7t h LYS 7 Cb 1.42 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.17 2b7t h LYS 7 CO -0.00 0.12 -0.42 -0.97 -2.27 0.00 0.00 179.45 175.91 2b7t h ASN 8 N 0.19 -1.15 0.14 4.20 -0.73 -1.45 0.19 115.58 116.96 2b7t h ASN 8 Ca 0.65 0.10 -0.01 0.00 1.87 0.00 0.00 56.30 58.92 2b7t h ASN 8 Cb 1.45 0.39 0.00 0.00 0.27 0.00 0.00 38.32 40.43 2b7t h ASN 8 CO -0.69 -0.57 -0.06 0.00 -0.37 0.00 0.00 177.43 175.74 2b7t h ALA 9 N -0.49 -0.18 -0.17 1.57 0.00 -1.72 -1.77 119.26 116.49 2b7t h ALA 9 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2b7t h ALA 9 Cb 0.75 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2b7t h ALA 9 CO -0.08 -0.59 0.11 -0.07 0.00 0.00 0.00 179.25 178.62 2b7t h LEU 10 N -0.21 0.20 -0.76 0.00 -0.00 -1.08 -0.90 115.31 112.55 2b7t h LEU 10 Ca -0.02 -0.02 0.07 0.00 -0.00 0.00 0.00 57.88 57.92 2b7t h LEU 10 Cb 0.17 -0.05 -0.06 0.00 -0.00 0.00 0.00 40.66 40.71 2b7t h LEU 10 CO 0.03 0.16 0.44 0.00 -0.00 0.00 0.00 178.44 179.07 2b7t h MET 11 N 0.23 0.75 0.05 1.13 -0.00 -0.71 -0.18 114.93 116.19 2b7t h MET 11 Ca 0.06 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.72 2b7t h MET 11 Cb -0.01 -0.17 -0.02 0.00 -0.00 0.00 0.00 31.60 31.40 2b7t h MET 11 CO -0.01 0.50 -0.20 0.37 -0.00 0.00 0.00 176.91 177.56 2b7t h GLN 12 N 0.78 -0.29 0.00 -0.10 4.15 -0.26 -0.41 115.11 118.98 2b7t h GLN 12 Ca 0.35 0.02 -0.16 0.00 0.77 0.00 0.00 58.65 59.63 2b7t h GLN 12 Cb 0.26 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 2b7t h GLN 12 CO -0.21 -0.19 -0.78 1.37 -1.93 0.00 0.00 178.83 177.09 2b7t h LEU 13 N -0.30 0.00 -0.48 -2.39 -0.00 -1.37 -1.71 115.31 109.06 2b7t h LEU 13 Ca -0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.94 2b7t h LEU 13 Cb 0.30 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.90 2b7t h LEU 13 CO -0.11 0.78 0.19 -1.13 -0.00 0.00 0.00 178.44 178.17 2b7t h ASN 14 N 0.00 0.21 0.63 0.17 -0.73 -1.05 0.19 115.58 115.01 2b7t h ASN 14 Ca -0.01 0.05 -0.03 0.00 1.87 0.00 0.00 56.30 58.18 2b7t h ASN 14 Cb 1.38 0.02 0.01 0.00 0.27 0.00 0.00 38.32 40.00 2b7t h ASN 14 CO 0.10 0.15 -0.30 -0.33 -0.37 0.00 0.00 177.43 176.68 2b7t h GLU 15 N 0.37 -0.81 -0.54 6.67 5.08 -0.80 -2.30 114.58 122.25 2b7t h GLU 15 Ca 0.23 0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.58 2b7t h GLU 15 Cb 0.22 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2b7t h GLU 15 CO -0.22 -0.52 0.08 0.82 -1.00 0.00 0.00 179.01 178.18 2b7t h ILE 16 N -0.92 1.24 -2.25 3.13 2.04 -1.27 -3.38 117.51 116.10 2b7t h ILE 16 Ca -0.09 -0.93 -0.57 0.00 1.00 0.00 0.00 64.86 64.27 2b7t h ILE 16 Cb 0.67 0.74 -0.37 0.00 -0.74 0.00 0.00 36.82 37.12 2b7t h ILE 16 CO 0.14 0.34 -0.98 0.29 0.00 0.00 0.00 178.15 177.94 2b7t n LYS 17 N -4.24 0.27 -0.79 2.37 4.76 0.68 -5.06 118.16 116.15 2b7t n LYS 17 Ca 0.04 -3.13 -0.10 0.00 -2.87 0.00 0.00 58.31 52.25 2b7t n LYS 17 Cb 0.27 -1.59 -0.13 0.00 -1.84 0.00 0.00 35.03 31.73 2b7t n LYS 17 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2b7t n PRO 18 N 2.63 1.59 -1.08 1.97 -0.04 -0.86 -3.74 135.00 135.46 2b7t n PRO 18 Ca 0.28 -0.79 -0.05 0.00 -0.04 0.00 0.00 63.50 62.90 2b7t n PRO 18 Cb 0.49 -1.89 -0.03 0.00 -0.04 0.00 0.00 33.50 32.03 2b7t n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2b7t n GLY 19 N 2.60 0.37 3.67 0.55 0.00 -1.26 -5.10 105.19 106.01 2b7t n GLY 19 Ca 0.34 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 2b7t n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b7t s LEU 20 N -0.44 2.01 -0.07 0.99 1.02 -1.25 -4.95 118.68 116.00 2b7t s LEU 20 Ca 0.01 1.53 0.02 0.00 0.02 0.00 0.00 54.13 55.71 2b7t s LEU 20 Cb 0.05 -3.83 0.01 0.00 0.02 0.00 0.00 46.19 42.44 2b7t s LEU 20 CO -0.01 -2.99 -0.13 -1.58 0.02 0.00 0.00 176.35 171.65 2b7t s GLN 21 N -4.83 1.85 -0.09 1.70 -0.44 -0.78 -4.96 119.66 112.10 2b7t s GLN 21 Ca 0.65 -0.46 0.01 0.00 -2.50 0.00 0.00 55.36 53.06 2b7t s GLN 21 Cb -0.20 -1.50 -0.02 0.00 -1.64 0.00 0.00 33.01 29.65 2b7t s GLN 21 CO 0.58 0.04 -0.12 0.71 0.50 0.00 0.00 175.29 177.01 2b7t s TYR 22 N 0.63 2.81 -0.01 1.67 1.51 -1.26 -0.26 117.35 122.45 2b7t s TYR 22 Ca -0.15 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.64 2b7t s TYR 22 Cb -0.16 -1.74 -0.00 0.00 -0.11 0.00 0.00 41.96 39.94 2b7t s TYR 22 CO 0.04 0.07 -0.06 1.41 -1.11 0.00 0.00 175.55 175.90 2b7t s MET 23 N -0.30 0.53 -0.16 -0.62 1.75 -0.13 -5.00 119.30 115.37 2b7t s MET 23 Ca 0.03 -0.21 -0.06 0.00 -1.25 0.00 0.00 55.69 54.20 2b7t s MET 23 Cb -0.13 -0.52 -0.04 0.00 2.84 0.00 0.00 34.83 36.99 2b7t s MET 23 CO 0.03 0.11 0.04 -1.17 -0.65 0.00 0.00 175.02 173.38 2b7t s LEU 24 N -0.05 3.70 -0.03 4.11 1.98 -1.26 -0.79 118.68 126.34 2b7t s LEU 24 Ca 0.01 0.07 0.05 0.00 -2.89 0.00 0.00 54.13 51.37 2b7t s LEU 24 Cb -0.04 -1.91 -0.01 0.00 0.66 0.00 0.00 46.19 44.89 2b7t s LEU 24 CO -0.00 0.22 -0.17 -0.76 -1.89 0.00 0.00 176.35 173.75 2b7t s LEU 25 N 0.09 1.97 0.22 -0.68 2.01 0.28 -5.00 118.68 117.56 2b7t s LEU 25 Ca 0.04 -0.33 -0.30 0.00 0.01 0.00 0.00 54.13 53.55 2b7t s LEU 25 Cb -0.12 -0.92 -0.09 0.00 0.01 0.00 0.00 46.19 45.06 2b7t s LEU 25 CO 0.01 0.18 1.28 -0.94 1.01 0.00 0.00 176.35 177.89 2b7t s SER 26 N -0.17 6.93 -0.15 2.29 1.04 -1.26 -1.96 113.70 120.42 2b7t s SER 26 Ca 0.01 2.40 -0.28 0.00 0.48 0.00 0.00 55.95 58.56 2b7t s SER 26 Cb -0.09 -2.62 -0.13 0.00 0.10 0.00 0.00 66.02 63.28 2b7t s SER 26 CO 0.01 -0.48 0.86 1.67 0.98 0.00 0.00 173.24 176.28 2b7t n GLN 27 N 2.31 0.00 -0.38 4.02 -0.06 -1.26 -4.64 117.38 117.36 2b7t n GLN 27 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 2b7t n GLN 27 Cb 0.43 -0.98 0.00 0.00 -4.06 0.00 0.00 30.24 25.63 2b7t n GLN 27 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 2b7t n THR 28 N 1.74 0.00 -4.33 1.69 5.66 -0.03 -4.98 114.28 114.03 2b7t n THR 28 Ca 0.16 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.89 2b7t n THR 28 Cb 0.01 0.16 -0.07 0.00 -1.55 0.00 0.00 70.33 68.88 2b7t n THR 28 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2b7t s GLY 29 N -0.20 2.55 0.74 1.09 0.00 -1.24 -4.76 107.32 105.49 2b7t s GLY 29 Ca 0.00 -1.55 -0.09 0.00 0.00 0.00 0.00 44.72 43.08 2b7t s GLY 29 CO 0.00 -2.02 1.08 2.56 0.00 0.00 0.00 173.10 174.72 2b7t s PRO 30 N -3.93 2.27 0.57 2.90 0.04 -1.26 -4.52 135.00 131.06 2b7t s PRO 30 Ca 0.30 0.02 0.28 0.00 0.04 0.00 0.00 61.00 61.64 2b7t s PRO 30 Cb 0.03 -2.07 1.49 0.00 0.04 0.00 0.00 34.50 34.00 2b7t s PRO 30 CO 0.17 -1.30 1.99 0.28 0.04 0.00 0.00 177.00 178.17 2b7t h VAL 31 N -0.76 0.53 -0.01 -0.36 2.07 -2.01 -0.75 116.25 114.97 2b7t h VAL 31 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2b7t h VAL 31 Cb 1.31 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2b7t h VAL 31 CO 0.63 0.00 -0.53 0.00 0.02 0.00 0.00 177.57 177.69 2b7t n HIS 32 N -4.00 0.00 -2.74 1.57 1.44 -1.26 -4.54 115.22 105.70 2b7t n HIS 32 Ca 0.07 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.70 2b7t n HIS 32 Cb 0.57 -0.10 0.08 0.00 0.12 0.00 0.00 29.99 30.67 2b7t n HIS 32 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2b7t n ALA 33 N -0.88 1.28 -1.56 1.59 0.00 -0.51 -5.13 120.51 115.30 2b7t n ALA 33 Ca 0.08 -1.84 -0.48 0.00 0.00 0.00 0.00 53.44 51.20 2b7t n ALA 33 Cb 0.37 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 2b7t n ALA 33 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2b7t n PRO 34 N -0.22 1.67 -3.63 0.00 -0.02 -0.41 -4.02 135.00 128.37 2b7t n PRO 34 Ca 0.03 0.51 -0.39 0.00 -2.02 0.00 0.00 63.50 61.64 2b7t n PRO 34 Cb 0.80 -2.75 -0.11 0.00 -0.02 0.00 0.00 33.50 31.41 2b7t n PRO 34 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2b7t s LEU 35 N 6.66 4.33 0.06 2.45 1.98 -1.26 -3.11 118.68 129.80 2b7t s LEU 35 Ca 1.02 -0.69 0.02 0.00 -2.89 0.00 0.00 54.13 51.59 2b7t s LEU 35 Cb -0.65 -2.01 -0.04 0.00 0.66 0.00 0.00 46.19 44.15 2b7t s LEU 35 CO 0.46 -0.26 0.09 -0.36 -1.89 0.00 0.00 176.35 174.38 2b7t s PHE 36 N 1.59 3.23 -0.06 5.38 0.40 -0.60 -0.85 117.98 127.06 2b7t s PHE 36 Ca 0.04 0.11 0.05 0.00 -0.60 0.00 0.00 56.93 56.53 2b7t s PHE 36 Cb -0.18 -1.65 -0.01 0.00 0.51 0.00 0.00 43.02 41.69 2b7t s PHE 36 CO 0.06 0.53 -0.22 0.14 0.70 0.00 0.00 175.22 176.44 2b7t s VAL 37 N -1.36 2.34 -0.08 -0.44 -7.23 -0.83 -1.36 120.40 111.44 2b7t s VAL 37 Ca 0.29 -0.97 0.03 0.00 -1.81 0.00 0.00 61.98 59.52 2b7t s VAL 37 Cb -0.12 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.93 2b7t s VAL 37 CO 0.21 0.57 -0.16 -0.04 -0.31 0.00 0.00 175.10 175.37 2b7t s MET 38 N -0.23 2.79 -0.26 4.82 -1.94 -0.27 -0.56 119.30 123.66 2b7t s MET 38 Ca -0.01 -0.74 -0.11 0.00 -1.71 0.00 0.00 55.69 53.12 2b7t s MET 38 Cb -0.13 -2.41 -0.05 0.00 2.01 0.00 0.00 34.83 34.24 2b7t s MET 38 CO 0.03 0.44 0.21 -1.54 -0.01 0.00 0.00 175.02 174.15 2b7t s SER 39 N -0.27 6.10 -0.10 3.03 1.04 0.03 -1.04 113.70 122.49 2b7t s SER 39 Ca 0.01 0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.56 2b7t s SER 39 Cb -0.13 -2.13 -0.01 0.00 0.10 0.00 0.00 66.02 63.85 2b7t s SER 39 CO 0.03 -0.02 -0.18 0.54 0.98 0.00 0.00 173.24 174.58 2b7t s VAL 40 N 1.51 2.63 -0.22 5.02 0.11 0.18 -0.96 120.40 128.67 2b7t s VAL 40 Ca 0.09 -0.83 -0.08 0.00 -2.93 0.00 0.00 61.98 58.23 2b7t s VAL 40 Cb -0.15 -2.05 -0.04 0.00 -1.53 0.00 0.00 36.38 32.62 2b7t s VAL 40 CO 0.08 0.55 0.08 -0.70 -3.33 0.00 0.00 175.10 171.78 2b7t s GLU 41 N 0.11 3.82 0.00 1.54 -6.30 0.64 -0.46 118.70 118.05 2b7t s GLU 41 Ca -0.09 -0.41 0.00 0.00 -2.50 0.00 0.00 54.97 51.98 2b7t s GLU 41 Cb -0.15 -3.30 0.00 0.00 0.00 0.00 0.00 34.13 30.68 2b7t s GLU 41 CO 0.05 0.02 0.00 1.55 0.02 0.00 0.00 175.26 176.91 2b7t n VAL 42 N 4.31 0.00 -0.38 3.70 3.14 -0.90 -1.86 118.33 126.34 2b7t n VAL 42 Ca -0.16 -0.24 0.00 0.00 -2.96 0.00 0.00 64.34 60.98 2b7t n VAL 42 Cb 0.52 0.74 0.00 0.00 -1.06 0.00 0.00 33.84 34.04 2b7t n VAL 42 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2b7t n ASN 43 N -1.25 0.00 0.00 6.55 5.15 -1.26 -4.94 115.26 119.51 2b7t n ASN 43 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2b7t n ASN 43 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2b7t n ASN 43 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2b7t n GLY 44 N 0.00 -0.81 3.08 8.20 0.00 -1.26 -5.15 105.19 109.24 2b7t n GLY 44 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2b7t n GLY 44 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2b7t s GLN 45 N 0.00 0.23 -0.13 1.61 0.00 -1.26 -5.16 119.66 114.95 2b7t s GLN 45 Ca 0.00 0.29 -0.05 0.00 -0.00 0.00 0.00 55.36 55.60 2b7t s GLN 45 Cb 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 33.01 33.07 2b7t s GLN 45 CO 0.00 -0.04 0.05 0.54 0.00 0.00 0.00 175.29 175.84 2b7t s VAL 46 N 0.17 4.70 -0.14 3.63 0.11 -1.26 -2.12 120.40 125.49 2b7t s VAL 46 Ca -0.01 -0.09 0.02 0.00 -2.93 0.00 0.00 61.98 58.97 2b7t s VAL 46 Cb -0.02 -3.04 0.02 0.00 -1.53 0.00 0.00 36.38 31.80 2b7t s VAL 46 CO -0.00 0.56 -0.18 -0.36 -3.33 0.00 0.00 175.10 171.79 2b7t s PHE 47 N -0.47 2.35 -0.16 1.54 0.08 0.39 -4.87 117.98 116.84 2b7t s PHE 47 Ca 0.10 -1.23 -0.07 0.00 0.12 0.00 0.00 56.93 55.84 2b7t s PHE 47 Cb -0.12 -1.66 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 2b7t s PHE 47 CO 0.02 -0.61 0.09 -1.21 -0.10 0.00 0.00 175.22 173.41 2b7t s GLU 48 N 1.10 3.80 0.02 0.44 8.01 -1.26 -0.64 118.70 130.17 2b7t s GLU 48 Ca -0.02 -0.26 0.02 0.00 0.01 0.00 0.00 54.97 54.72 2b7t s GLU 48 Cb -0.14 -3.22 -0.02 0.00 -4.31 0.00 0.00 34.13 26.44 2b7t s GLU 48 CO -0.06 0.46 -0.07 0.20 0.01 0.00 0.00 175.26 175.80 2b7t s GLY 49 N -0.13 0.44 -0.14 -1.39 0.00 -0.21 -4.64 107.32 101.26 2b7t s GLY 49 Ca 0.09 -0.56 -0.05 0.00 0.00 0.00 0.00 44.72 44.19 2b7t s GLY 49 CO 0.01 -0.57 0.05 -1.35 0.00 0.00 0.00 173.10 171.23 2b7t s SER 50 N -0.97 5.57 -0.05 1.64 1.04 -1.26 -1.11 113.70 118.55 2b7t s SER 50 Ca -0.04 0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.51 2b7t s SER 50 Cb -0.07 -1.80 0.02 0.00 0.10 0.00 0.00 66.02 64.27 2b7t s SER 50 CO 0.00 0.29 0.13 -0.83 0.98 0.00 0.00 173.24 173.80 2b7t s GLY 51 N -0.30 -0.06 0.00 7.32 0.00 -0.46 -4.49 107.32 109.33 2b7t s GLY 51 Ca 0.08 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.27 2b7t s GLY 51 CO 0.02 0.58 0.00 -1.05 0.00 0.00 0.00 173.10 172.65 2b7t n PRO 52 N 3.52 0.00 -3.64 2.90 -0.02 -1.26 -1.56 135.00 134.94 2b7t n PRO 52 Ca -0.18 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.21 2b7t n PRO 52 Cb 0.56 -0.99 -0.07 0.00 -0.02 0.00 0.00 33.50 32.98 2b7t n PRO 52 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2b7t s THR 53 N -1.43 0.00 0.56 3.45 -1.32 -1.18 -3.69 115.64 112.03 2b7t s THR 53 Ca 0.00 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.72 2b7t s THR 53 Cb 0.00 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.31 2b7t s THR 53 CO 0.00 0.00 2.21 0.07 -2.21 0.00 0.00 174.62 174.69 2b7t h LYS 54 N 5.40 0.00 -0.11 7.08 2.10 -1.86 -0.75 116.57 128.44 2b7t h LYS 54 Ca -0.29 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.26 2b7t h LYS 54 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2b7t h LYS 54 CO 0.12 0.00 -0.40 0.87 -2.00 0.00 0.00 179.45 178.05 2b7t h LYS 55 N 0.00 0.23 0.06 0.07 6.56 -1.98 -1.09 116.57 120.43 2b7t h LYS 55 Ca -0.00 -0.11 -0.27 0.00 -1.06 0.00 0.00 60.65 59.21 2b7t h LYS 55 Cb 0.01 -0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.68 2b7t h LYS 55 CO 0.00 0.60 -1.12 -0.22 -2.06 0.00 0.00 179.45 176.66 2b7t h LYS 56 N 0.20 0.54 0.43 3.15 3.64 -1.55 -2.56 116.57 120.41 2b7t h LYS 56 Ca 0.02 -0.66 -0.01 0.00 -1.27 0.00 0.00 60.65 58.73 2b7t h LYS 56 Cb 0.80 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 2b7t h LYS 56 CO 0.06 1.27 -0.35 0.00 -2.27 0.00 0.00 179.45 178.16 2b7t h ALA 57 N 0.48 -0.79 -0.69 5.00 0.00 -0.99 0.64 119.26 122.92 2b7t h ALA 57 Ca -0.14 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.66 2b7t h ALA 57 Cb 1.78 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 20.00 2b7t h ALA 57 CO 0.21 -0.97 0.46 1.57 0.00 0.00 0.00 179.25 180.51 2b7t h LYS 58 N -0.77 0.83 0.15 0.00 5.09 -1.35 -1.42 116.57 119.10 2b7t h LYS 58 Ca -0.04 -0.05 0.02 0.00 0.09 0.00 0.00 60.65 60.67 2b7t h LYS 58 Cb 0.67 -0.19 -0.03 0.00 0.10 0.00 0.00 32.23 32.78 2b7t h LYS 58 CO -0.01 0.55 -0.30 1.25 -2.09 0.00 0.00 179.45 178.85 2b7t h LEU 59 N 0.85 -0.84 -0.34 7.07 6.46 -1.13 -1.11 115.31 126.27 2b7t h LEU 59 Ca 0.27 0.09 0.05 0.00 -0.12 0.00 0.00 57.88 58.18 2b7t h LEU 59 Cb 0.03 0.31 -0.05 0.00 -0.73 0.00 0.00 40.66 40.22 2b7t h LEU 59 CO -0.07 -0.39 0.04 -0.74 -0.62 0.00 0.00 178.44 176.66 2b7t h HIS 60 N -0.53 0.07 0.04 1.25 2.76 -0.35 0.28 115.15 118.67 2b7t h HIS 60 Ca 0.02 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.23 2b7t h HIS 60 Cb 0.55 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.50 2b7t h HIS 60 CO -0.25 -0.01 -0.33 0.00 -1.30 0.00 0.00 177.93 176.03 2b7t h ALA 61 N 1.27 -0.81 -0.32 5.26 0.00 -1.26 -1.99 119.26 121.41 2b7t h ALA 61 Ca 0.16 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2b7t h ALA 61 Cb 0.20 0.76 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2b7t h ALA 61 CO -0.24 -0.90 0.09 0.00 0.00 0.00 0.00 179.25 178.20 2b7t h ALA 62 N -0.88 0.35 0.34 0.00 0.00 -0.63 0.24 119.26 118.69 2b7t h ALA 62 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2b7t h ALA 62 Cb 0.47 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2b7t h ALA 62 CO -0.20 -0.32 -0.37 1.49 0.00 0.00 0.00 179.25 179.85 2b7t h GLU 63 N 0.21 -0.69 -0.78 0.00 4.81 -0.47 -0.76 114.58 116.90 2b7t h GLU 63 Ca 0.15 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.46 2b7t h GLU 63 Cb 0.14 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 2b7t h GLU 63 CO -0.17 -0.46 0.52 -0.22 -0.73 0.00 0.00 179.01 177.95 2b7t h LYS 64 N -0.72 0.91 0.44 1.92 3.64 -1.38 -1.99 116.57 119.41 2b7t h LYS 64 Ca -0.04 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 2b7t h LYS 64 Cb 0.63 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2b7t h LYS 64 CO -0.06 0.61 -0.45 0.00 -2.27 0.00 0.00 179.45 177.28 2b7t h ALA 65 N 1.55 -1.00 -0.17 5.00 0.00 0.39 0.28 119.26 125.31 2b7t h ALA 65 Ca 0.32 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2b7t h ALA 65 Cb 0.08 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2b7t h ALA 65 CO -0.10 -1.10 -0.43 1.25 0.00 0.00 0.00 179.25 178.87 2b7t h LEU 66 N -0.91 0.43 0.49 0.00 5.85 -1.20 -0.93 115.31 119.04 2b7t h LEU 66 Ca -0.05 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2b7t h LEU 66 Cb 0.80 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2b7t h LEU 66 CO -0.07 0.81 -0.48 -0.09 -0.34 0.00 0.00 178.44 178.27 2b7t h ARG 67 N 0.33 -0.93 -0.87 1.25 2.43 -1.05 -0.23 114.38 115.31 2b7t h ARG 67 Ca 0.03 0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.34 2b7t h ARG 67 Cb 0.89 0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 30.58 2b7t h ARG 67 CO 0.07 -0.62 0.53 1.03 -1.51 0.00 0.00 179.97 179.47 2b7t h SER 68 N -0.96 0.79 -0.77 -3.80 0.87 -0.44 -1.63 113.55 107.61 2b7t h SER 68 Ca -0.06 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2b7t h SER 68 Cb 0.83 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.63 2b7t h SER 68 CO -0.05 0.47 0.46 0.15 -0.53 0.00 0.00 176.83 177.33 2b7t h PHE 69 N 0.90 1.02 0.00 2.24 3.57 -1.08 -0.41 116.94 123.18 2b7t h PHE 69 Ca 0.41 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.91 2b7t h PHE 69 Cb 0.30 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.71 2b7t h PHE 69 CO -0.04 0.68 0.00 0.28 -2.23 0.00 0.00 178.31 177.00 2b7t n VAL 70 N -4.38 0.00 -1.48 1.41 0.31 -0.11 -4.89 118.33 109.20 2b7t n VAL 70 Ca 0.08 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.25 2b7t n VAL 70 Cb 0.07 -0.31 -0.07 0.00 -0.91 0.00 0.00 33.84 32.62 2b7t n VAL 70 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2b7t n GLN 71 N -0.64 -1.52 -2.80 5.55 10.64 -0.16 -5.02 117.38 123.43 2b7t n GLN 71 Ca 0.04 1.08 -0.42 0.00 -1.83 0.00 0.00 57.00 55.87 2b7t n GLN 71 Cb 0.02 -5.46 -0.03 0.00 -0.86 0.00 0.00 30.24 23.91 2b7t n GLN 71 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 2b7t s PHE 72 N -2.42 3.49 -2.00 2.61 0.40 -0.67 -4.96 117.98 114.43 2b7t s PHE 72 Ca 0.00 1.44 0.21 0.00 -0.60 0.00 0.00 56.93 57.98 2b7t s PHE 72 Cb 0.00 -3.08 1.24 0.00 0.51 0.00 0.00 43.02 41.69 2b7t s PHE 72 CO 0.00 -0.18 1.62 -0.35 0.70 0.00 0.00 175.22 177.01