#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 -1.24 2.27 -1.23 0.00 -1.26 -5.04 105.19 98.68 2b7t n GLY 2 Ca 0.00 -0.85 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.01 2.70 0.00 1.61 -0.04 -1.26 -4.03 135.00 133.97 2b7t n PRO 3 Ca 0.00 -1.58 0.00 0.00 -0.04 0.00 0.00 63.50 61.88 2b7t n PRO 3 Cb 0.00 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 2b7t n PRO 3 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2b7t n VAL 4 N 3.31 0.00 -3.44 0.52 0.24 -1.26 -4.92 118.33 112.79 2b7t n VAL 4 Ca 0.58 -0.16 -0.15 0.00 -2.04 0.00 0.00 64.34 62.57 2b7t n VAL 4 Cb 0.43 0.80 -0.11 0.00 -1.47 0.00 0.00 33.84 33.49 2b7t n VAL 4 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2b7t s LEU 5 N -0.96 -0.31 0.22 1.34 1.98 -1.26 -5.08 118.68 114.61 2b7t s LEU 5 Ca 0.00 -0.07 -0.15 0.00 -2.89 0.00 0.00 54.13 51.03 2b7t s LEU 5 Cb 0.00 0.66 0.26 0.00 0.66 0.00 0.00 46.19 47.78 2b7t s LEU 5 CO 0.00 -0.32 1.59 -0.65 -1.89 0.00 0.00 176.35 175.08 2b7t h PRO 6 N 8.26 -0.04 0.31 0.98 0.11 -1.94 -2.59 132.00 137.08 2b7t h PRO 6 Ca -0.18 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 2b7t h PRO 6 Cb 1.15 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2b7t h PRO 6 CO 0.28 -0.03 -0.34 -0.22 -0.21 0.00 0.00 178.00 177.48 2b7t h LYS 7 N -0.05 -0.63 -0.30 1.05 1.63 -1.98 -1.50 116.57 114.80 2b7t h LYS 7 Ca 0.33 0.04 0.05 0.00 -0.85 0.00 0.00 60.65 60.22 2b7t h LYS 7 Cb 0.57 0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 32.30 2b7t h LYS 7 CO -0.79 -0.42 0.03 -0.91 -3.45 0.00 0.00 179.45 173.91 2b7t h ASN 8 N -0.65 -0.05 0.41 4.20 4.21 -1.91 0.67 115.58 122.47 2b7t h ASN 8 Ca -0.04 0.06 -0.02 0.00 1.21 0.00 0.00 56.30 57.51 2b7t h ASN 8 Cb 0.57 0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.86 2b7t h ASN 8 CO -0.06 0.01 -0.30 0.00 -1.29 0.00 0.00 177.43 175.79 2b7t h ALA 9 N 1.24 -1.08 -0.45 -0.83 0.00 -1.51 -1.97 119.26 114.66 2b7t h ALA 9 Ca 0.14 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2b7t h ALA 9 Cb 0.17 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2b7t h ALA 9 CO -0.21 -1.07 0.26 -0.07 0.00 0.00 0.00 179.25 178.16 2b7t h LEU 10 N -0.68 0.42 -0.68 0.00 -0.00 -0.99 -0.79 115.31 112.59 2b7t h LEU 10 Ca -0.05 0.01 0.08 0.00 -0.00 0.00 0.00 57.88 57.91 2b7t h LEU 10 Cb 0.56 -0.08 -0.06 0.00 -0.00 0.00 0.00 40.66 41.07 2b7t h LEU 10 CO 0.03 0.30 0.35 0.00 -0.00 0.00 0.00 178.44 179.11 2b7t h MET 11 N 0.52 0.60 0.05 1.13 -0.00 -0.97 0.19 114.93 116.47 2b7t h MET 11 Ca 0.18 -0.04 0.02 0.00 -0.00 0.00 0.00 59.70 59.86 2b7t h MET 11 Cb 0.02 -0.14 -0.05 0.00 -0.00 0.00 0.00 31.60 31.44 2b7t h MET 11 CO -0.09 0.40 -0.50 0.37 -0.00 0.00 0.00 176.91 177.09 2b7t h GLN 12 N 0.62 -0.64 -0.10 -0.10 4.15 -0.36 -1.56 115.11 117.11 2b7t h GLN 12 Ca 0.32 0.04 -0.18 0.00 0.77 0.00 0.00 58.65 59.61 2b7t h GLN 12 Cb 0.29 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 2b7t h GLN 12 CO -0.23 -0.43 -0.68 1.37 -1.93 0.00 0.00 178.83 176.93 2b7t h LEU 13 N -0.67 0.51 -0.39 -2.39 -0.00 -0.93 -1.70 115.31 109.74 2b7t h LEU 13 Ca 0.00 -0.32 0.05 0.00 -0.00 0.00 0.00 57.88 57.62 2b7t h LEU 13 Cb 0.69 -0.15 -0.05 0.00 -0.00 0.00 0.00 40.66 41.16 2b7t h LEU 13 CO -0.30 1.04 0.10 0.78 -0.00 0.00 0.00 178.44 180.06 2b7t h ASN 14 N 0.31 0.06 0.18 0.17 2.35 -0.62 0.96 115.58 119.00 2b7t h ASN 14 Ca -0.02 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2b7t h ASN 14 Cb 1.24 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.65 2b7t h ASN 14 CO 0.12 0.07 -0.28 -0.33 -1.65 0.00 0.00 177.43 175.36 2b7t h GLU 15 N 0.24 -0.51 -0.47 0.81 5.08 -1.19 -2.26 114.58 116.28 2b7t h GLU 15 Ca 0.18 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2b7t h GLU 15 Cb 0.20 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2b7t h GLU 15 CO -0.22 -0.34 0.28 0.82 -1.00 0.00 0.00 179.01 178.55 2b7t h ILE 16 N -0.53 1.06 -2.31 3.13 2.04 -0.87 -3.39 117.51 116.65 2b7t h ILE 16 Ca 0.01 -0.20 -0.51 0.00 1.00 0.00 0.00 64.86 65.17 2b7t h ILE 16 Cb 0.53 0.44 -0.36 0.00 -0.74 0.00 0.00 36.82 36.69 2b7t h ILE 16 CO -0.12 0.10 -0.83 -0.54 0.00 0.00 0.00 178.15 176.76 2b7t s LYS 17 N -6.15 0.68 0.00 2.37 -0.14 0.29 -5.06 119.74 111.74 2b7t s LYS 17 Ca -0.13 -1.40 -0.03 0.00 -1.36 0.00 0.00 55.97 53.05 2b7t s LYS 17 Cb 0.12 -1.13 -0.14 0.00 -1.68 0.00 0.00 37.83 35.00 2b7t s LYS 17 CO 0.73 -1.26 2.52 -0.35 -0.76 0.00 0.00 175.35 176.24 2b7t n PRO 18 N 3.75 1.32 -0.77 -1.68 -0.04 -0.85 -3.79 135.00 132.93 2b7t n PRO 18 Ca 0.16 -0.53 -0.04 0.00 -0.04 0.00 0.00 63.50 63.05 2b7t n PRO 18 Cb 0.42 -1.64 -0.04 0.00 -0.04 0.00 0.00 33.50 32.21 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 2.28 0.34 3.65 0.55 0.00 -1.26 -5.11 105.19 105.63 2b7t n GLY 19 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 1.68 -0.13 0.99 1.02 -1.25 -4.98 118.68 116.02 2b7t s LEU 20 Ca 0.00 1.40 0.02 0.00 0.02 0.00 0.00 54.13 55.57 2b7t s LEU 20 Cb 0.00 -3.60 -0.00 0.00 0.02 0.00 0.00 46.19 42.60 2b7t s LEU 20 CO 0.00 -3.23 -0.19 -1.58 0.02 0.00 0.00 176.35 171.37 2b7t s GLN 21 N -4.83 3.18 -0.13 1.70 -0.44 -0.71 -4.96 119.66 113.47 2b7t s GLN 21 Ca 0.66 -0.79 -0.05 0.00 -2.50 0.00 0.00 55.36 52.67 2b7t s GLN 21 Cb -0.20 -2.48 -0.04 0.00 -1.64 0.00 0.00 33.01 28.65 2b7t s GLN 21 CO 0.59 0.13 0.04 0.71 0.50 0.00 0.00 175.29 177.27 2b7t s TYR 22 N 0.50 3.26 -0.03 1.67 1.51 -1.26 -0.29 117.35 122.71 2b7t s TYR 22 Ca -0.12 0.17 0.03 0.00 -1.01 0.00 0.00 57.07 56.14 2b7t s TYR 22 Cb -0.17 -1.93 0.00 0.00 -0.11 0.00 0.00 41.96 39.76 2b7t s TYR 22 CO 0.05 0.37 -0.10 1.41 -1.11 0.00 0.00 175.55 176.17 2b7t s MET 23 N -0.38 1.09 -0.23 -0.62 1.75 0.10 -5.01 119.30 116.00 2b7t s MET 23 Ca 0.09 -0.34 -0.08 0.00 -1.25 0.00 0.00 55.69 54.11 2b7t s MET 23 Cb -0.12 -1.00 -0.03 0.00 2.84 0.00 0.00 34.83 36.51 2b7t s MET 23 CO 0.02 0.11 0.08 -1.17 -0.65 0.00 0.00 175.02 173.41 2b7t s LEU 24 N 0.23 3.61 0.23 4.11 1.98 -1.26 -1.11 118.68 126.48 2b7t s LEU 24 Ca -0.04 -0.10 0.01 0.00 -2.89 0.00 0.00 54.13 51.11 2b7t s LEU 24 Cb -0.10 -1.95 -0.05 0.00 0.66 0.00 0.00 46.19 44.75 2b7t s LEU 24 CO 0.01 0.03 0.08 -1.48 -1.89 0.00 0.00 176.35 173.10 2b7t s LEU 25 N 1.22 1.68 0.00 -0.68 2.34 -0.03 -5.02 118.68 118.20 2b7t s LEU 25 Ca 0.05 -1.34 0.00 0.00 0.06 0.00 0.00 54.13 52.90 2b7t s LEU 25 Cb -0.14 0.06 0.00 0.00 -0.56 0.00 0.00 46.19 45.54 2b7t s LEU 25 CO 0.04 -0.71 0.00 -1.54 -1.06 0.00 0.00 176.35 173.08 2b7t n SER 26 N -0.38 0.00 -4.68 1.48 3.41 -1.26 -1.80 113.62 110.38 2b7t n SER 26 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.22 2b7t n SER 26 Cb 0.66 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.53 2b7t n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2b7t s GLN 27 N 0.00 4.19 0.00 4.33 -0.44 -1.26 -3.48 119.66 123.00 2b7t s GLN 27 Ca 0.00 0.14 0.00 0.00 -2.50 0.00 0.00 55.36 53.00 2b7t s GLN 27 Cb 0.00 -3.51 0.00 0.00 -1.64 0.00 0.00 33.01 27.86 2b7t s GLN 27 CO 0.00 0.04 0.00 -2.37 0.50 0.00 0.00 175.29 173.46 2b7t n THR 28 N 4.14 0.00 0.00 -0.34 5.66 -0.06 -4.99 114.28 118.70 2b7t n THR 28 Ca -0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 2b7t n THR 28 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 2b7t n THR 28 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2b7t n GLY 29 N 0.00 1.81 1.55 1.09 0.00 -1.26 -0.32 105.19 108.05 2b7t n GLY 29 Ca 0.00 -1.60 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 2b7t n GLY 29 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2b7t n PRO 30 N -1.65 1.45 0.00 1.61 -0.04 -1.26 -4.86 135.00 130.24 2b7t n PRO 30 Ca 0.00 -0.97 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 2b7t n PRO 30 Cb 0.00 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 2b7t n PRO 30 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2b7t n VAL 31 N 0.33 0.00 1.46 0.52 0.31 -1.26 -4.48 118.33 115.21 2b7t n VAL 31 Ca 0.19 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.66 2b7t n VAL 31 Cb 0.72 0.00 0.63 0.00 -0.91 0.00 0.00 33.84 34.28 2b7t n VAL 31 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2b7t n HIS 32 N 0.00 0.00 -3.06 3.52 1.44 -1.26 -4.27 115.22 111.59 2b7t n HIS 32 Ca 0.00 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.53 2b7t n HIS 32 Cb 0.00 -0.16 -0.02 0.00 0.12 0.00 0.00 29.99 29.93 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 1.27 -1.71 1.59 0.00 -1.26 -5.13 120.51 114.39 2b7t n ALA 33 Ca 0.15 -2.83 -0.59 0.00 0.00 0.00 0.00 53.44 50.18 2b7t n ALA 33 Cb 0.27 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.67 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 1.04 0.91 -4.39 0.00 -0.02 -1.26 -4.27 135.00 127.02 2b7t n PRO 34 Ca 0.18 0.33 -0.34 0.00 -2.02 0.00 0.00 63.50 61.66 2b7t n PRO 34 Cb 0.60 -1.98 -0.15 0.00 -0.02 0.00 0.00 33.50 31.96 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 3.17 2.59 0.07 2.45 1.98 0.57 -3.61 118.68 125.89 2b7t s LEU 35 Ca 0.99 -0.44 0.09 0.00 -2.89 0.00 0.00 54.13 51.88 2b7t s LEU 35 Cb -1.15 -1.61 -0.03 0.00 0.66 0.00 0.00 46.19 44.06 2b7t s LEU 35 CO 0.67 0.07 -0.24 -0.36 -1.89 0.00 0.00 176.35 174.60 2b7t s PHE 36 N 0.92 2.38 -0.06 5.38 0.40 -0.57 -0.88 117.98 125.56 2b7t s PHE 36 Ca -0.03 -0.36 0.05 0.00 -0.60 0.00 0.00 56.93 55.99 2b7t s PHE 36 Cb -0.15 -1.37 -0.01 0.00 0.51 0.00 0.00 43.02 41.99 2b7t s PHE 36 CO -0.01 0.22 -0.22 0.14 0.70 0.00 0.00 175.22 176.04 2b7t s VAL 37 N -0.91 2.34 -0.09 -0.44 -7.23 -0.74 -1.16 120.40 112.17 2b7t s VAL 37 Ca 0.13 -0.97 0.01 0.00 -1.81 0.00 0.00 61.98 59.34 2b7t s VAL 37 Cb -0.10 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 2b7t s VAL 37 CO 0.04 0.57 -0.11 -0.04 -0.31 0.00 0.00 175.10 175.25 2b7t s MET 38 N -0.25 3.01 -0.03 4.82 -1.94 -0.32 -0.85 119.30 123.74 2b7t s MET 38 Ca -0.00 -0.64 -0.18 0.00 -1.71 0.00 0.00 55.69 53.16 2b7t s MET 38 Cb -0.13 -2.58 -0.05 0.00 2.01 0.00 0.00 34.83 34.08 2b7t s MET 38 CO 0.03 0.44 0.50 -1.54 -0.01 0.00 0.00 175.02 174.44 2b7t s SER 39 N -0.24 6.84 -0.09 3.03 1.04 -0.27 -1.20 113.70 122.82 2b7t s SER 39 Ca 0.02 1.00 0.02 0.00 0.48 0.00 0.00 55.95 57.46 2b7t s SER 39 Cb -0.13 -2.30 0.02 0.00 0.10 0.00 0.00 66.02 63.70 2b7t s SER 39 CO 0.03 0.16 -0.13 0.54 0.98 0.00 0.00 173.24 174.82 2b7t s VAL 40 N -0.31 1.26 -0.24 5.02 0.11 0.44 -0.72 120.40 125.96 2b7t s VAL 40 Ca 0.27 -0.51 -0.08 0.00 -2.93 0.00 0.00 61.98 58.73 2b7t s VAL 40 Cb -0.17 -1.17 -0.03 0.00 -1.53 0.00 0.00 36.38 33.47 2b7t s VAL 40 CO 0.14 0.39 0.09 -0.70 -3.33 0.00 0.00 175.10 171.69 2b7t s GLU 41 N 0.98 3.77 -0.01 1.54 -6.30 0.60 -0.36 118.70 118.91 2b7t s GLU 41 Ca -0.08 -0.43 0.06 0.00 -2.50 0.00 0.00 54.97 52.03 2b7t s GLU 41 Cb -0.15 -3.35 -0.09 0.00 0.00 0.00 0.00 34.13 30.53 2b7t s GLU 41 CO -0.00 -0.09 0.15 1.55 0.02 0.00 0.00 175.26 176.88 2b7t n VAL 42 N 4.66 0.00 -0.64 3.70 3.14 -0.87 -1.74 118.33 126.58 2b7t n VAL 42 Ca -0.16 -0.16 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 2b7t n VAL 42 Cb 0.52 0.41 0.00 0.00 -1.06 0.00 0.00 33.84 33.70 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 -1.67 0.00 0.00 6.55 5.15 -1.26 -4.92 115.26 119.11 2b7t n ASN 43 Ca -0.01 -0.11 0.00 0.00 -0.60 0.00 0.00 54.58 53.86 2b7t n ASN 43 Cb 0.16 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 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 -0.94 3.32 8.20 0.00 -1.26 -5.15 105.19 109.37 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 0.52 -0.14 1.61 0.00 -1.26 -5.16 119.66 115.22 2b7t s GLN 45 Ca 0.00 0.55 -0.06 0.00 -0.00 0.00 0.00 55.36 55.85 2b7t s GLN 45 Cb 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 33.01 33.22 2b7t s GLN 45 CO 0.00 -0.07 0.09 0.14 0.00 0.00 0.00 175.29 175.45 2b7t s VAL 46 N 0.13 5.04 -0.16 3.63 -7.23 -1.26 -2.05 120.40 118.50 2b7t s VAL 46 Ca -0.01 0.04 -0.03 0.00 -1.81 0.00 0.00 61.98 60.17 2b7t s VAL 46 Cb -0.03 -3.22 -0.02 0.00 0.56 0.00 0.00 36.38 33.67 2b7t s VAL 46 CO 0.01 0.55 -0.05 -0.36 -0.31 0.00 0.00 175.10 174.94 2b7t s PHE 47 N -0.41 2.99 -0.16 2.82 0.40 0.51 -4.85 117.98 119.27 2b7t s PHE 47 Ca 0.10 -0.43 -0.06 0.00 -0.60 0.00 0.00 56.93 55.94 2b7t s PHE 47 Cb -0.12 -1.97 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 2b7t s PHE 47 CO 0.02 -0.14 0.05 -1.21 0.70 0.00 0.00 175.22 174.64 2b7t s GLU 48 N 0.56 3.80 -0.01 0.44 0.41 -1.26 -0.42 118.70 122.23 2b7t s GLU 48 Ca -0.03 -0.35 0.02 0.00 -0.41 0.00 0.00 54.97 54.19 2b7t s GLU 48 Cb -0.14 -3.14 -0.00 0.00 -1.78 0.00 0.00 34.13 29.07 2b7t s GLU 48 CO 0.03 0.35 -0.06 0.20 -0.49 0.00 0.00 175.26 175.29 2b7t s GLY 49 N 0.13 0.29 -0.19 -1.39 0.00 -0.34 -4.64 107.32 101.18 2b7t s GLY 49 Ca 0.04 -0.24 -0.07 0.00 0.00 0.00 0.00 44.72 44.45 2b7t s GLY 49 CO 0.01 -0.17 0.06 -1.35 0.00 0.00 0.00 173.10 171.65 2b7t s SER 50 N -0.07 5.56 0.01 1.64 1.04 -1.26 -1.18 113.70 119.44 2b7t s SER 50 Ca 0.01 0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.51 2b7t s SER 50 Cb -0.03 -1.96 -0.01 0.00 0.10 0.00 0.00 66.02 64.12 2b7t s SER 50 CO -0.00 0.15 -0.07 -0.83 0.98 0.00 0.00 173.24 173.47 2b7t s GLY 51 N 0.52 0.37 0.00 7.32 0.00 -0.31 -4.64 107.32 110.58 2b7t s GLY 51 Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.30 2b7t s GLY 51 CO 0.01 -0.44 0.17 -1.55 0.00 0.00 0.00 173.10 171.29 2b7t n PRO 52 N 2.37 0.32 -3.61 2.90 -0.04 -1.26 -1.51 135.00 134.17 2b7t n PRO 52 Ca -0.17 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.20 2b7t n PRO 52 Cb 0.57 -1.17 -0.06 0.00 -0.04 0.00 0.00 33.50 32.79 2b7t n PRO 52 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2b7t s THR 53 N -0.89 0.00 0.50 0.52 -1.32 -1.24 -4.58 115.64 108.64 2b7t s THR 53 Ca 0.00 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.68 2b7t s THR 53 Cb 0.00 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.34 2b7t s THR 53 CO 0.00 0.00 2.02 0.07 -2.21 0.00 0.00 174.62 174.50 2b7t h LYS 54 N 3.48 0.11 -0.03 7.08 2.10 -1.89 -0.39 116.57 127.04 2b7t h LYS 54 Ca -0.24 -0.01 -0.11 0.00 -2.00 0.00 0.00 60.65 58.29 2b7t h LYS 54 Cb 1.17 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.46 2b7t h LYS 54 CO 0.20 0.08 -0.50 0.87 -2.00 0.00 0.00 179.45 178.10 2b7t h LYS 55 N 0.12 0.07 0.12 0.07 1.57 -1.97 -1.83 116.57 114.72 2b7t h LYS 55 Ca 0.21 -0.04 -0.27 0.00 -1.87 0.00 0.00 60.65 58.69 2b7t h LYS 55 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2b7t h LYS 55 CO -0.02 0.55 -1.22 -0.22 -0.57 0.00 0.00 179.45 177.97 2b7t h LYS 56 N 0.05 0.27 0.48 3.15 3.64 -1.53 -2.80 116.57 119.83 2b7t h LYS 56 Ca -0.00 -0.45 -0.02 0.00 -1.27 0.00 0.00 60.65 58.91 2b7t h LYS 56 Cb 0.90 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 2b7t h LYS 56 CO 0.07 1.21 -0.30 0.00 -2.27 0.00 0.00 179.45 178.16 2b7t h ALA 57 N 0.60 -0.75 -0.71 5.00 0.00 -0.96 0.29 119.26 122.74 2b7t h ALA 57 Ca -0.13 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.69 2b7t h ALA 57 Cb 1.94 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 20.05 2b7t h ALA 57 CO 0.20 -0.93 0.41 1.57 0.00 0.00 0.00 179.25 180.50 2b7t h LYS 58 N -0.74 0.74 -0.32 0.00 2.10 -1.48 -1.55 116.57 115.32 2b7t h LYS 58 Ca -0.05 -0.04 0.06 0.00 -2.00 0.00 0.00 60.65 58.61 2b7t h LYS 58 Cb 0.61 -0.17 -0.06 0.00 -0.90 0.00 0.00 32.23 31.71 2b7t h LYS 58 CO 0.05 0.49 -0.04 1.25 -2.00 0.00 0.00 179.45 179.20 2b7t h LEU 59 N 0.77 -0.22 0.12 7.07 6.46 -1.27 0.38 115.31 128.62 2b7t h LEU 59 Ca 0.31 0.09 0.02 0.00 -0.12 0.00 0.00 57.88 58.17 2b7t h LEU 59 Cb 0.16 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 2b7t h LEU 59 CO -0.17 -0.07 -0.26 -0.74 -0.62 0.00 0.00 178.44 176.58 2b7t h HIS 60 N 0.04 -0.71 0.42 1.25 2.76 -0.62 0.12 115.15 118.41 2b7t h HIS 60 Ca 0.15 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 2b7t h HIS 60 Cb 0.22 0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 2b7t h HIS 60 CO -0.27 -0.37 -0.43 0.00 -1.30 0.00 0.00 177.93 175.56 2b7t h ALA 61 N 0.26 -1.09 -0.50 5.26 0.00 -1.03 -2.05 119.26 120.10 2b7t h ALA 61 Ca 0.03 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2b7t h ALA 61 Cb 0.50 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2b7t h ALA 61 CO -0.15 -1.12 0.30 0.00 0.00 0.00 0.00 179.25 178.28 2b7t h ALA 62 N -1.02 0.64 0.33 0.00 0.00 -0.91 0.24 119.26 118.54 2b7t h ALA 62 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2b7t h ALA 62 Cb 0.74 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2b7t h ALA 62 CO -0.06 0.00 -0.31 1.49 0.00 0.00 0.00 179.25 180.37 2b7t h GLU 63 N 0.60 -0.61 -0.76 0.00 4.22 -0.75 -1.93 114.58 115.35 2b7t h GLU 63 Ca 0.20 0.04 0.05 0.00 0.08 0.00 0.00 59.36 59.74 2b7t h GLU 63 Cb 0.02 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 2b7t h GLU 63 CO -0.09 -0.41 0.50 -0.22 -2.18 0.00 0.00 179.01 176.61 2b7t h LYS 64 N -0.63 0.83 0.39 1.92 3.64 -1.33 -0.17 116.57 121.21 2b7t h LYS 64 Ca -0.04 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2b7t h LYS 64 Cb 0.54 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2b7t h LYS 64 CO -0.03 0.55 -0.37 0.00 -2.27 0.00 0.00 179.45 177.33 2b7t h ALA 65 N 1.58 -1.06 -0.54 5.00 0.00 -0.22 0.26 119.26 124.28 2b7t h ALA 65 Ca 0.32 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2b7t h ALA 65 Cb 0.18 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2b7t h ALA 65 CO -0.11 -1.08 0.18 -0.07 0.00 0.00 0.00 179.25 178.18 2b7t h LEU 66 N -0.75 0.78 0.26 0.00 -0.00 -1.32 -1.37 115.31 112.92 2b7t h LEU 66 Ca -0.05 -0.20 0.01 0.00 -0.00 0.00 0.00 57.88 57.64 2b7t h LEU 66 Cb 0.64 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 41.07 2b7t h LEU 66 CO -0.03 0.77 -0.35 -0.09 -0.00 0.00 0.00 178.44 178.74 2b7t h ARG 67 N 0.75 -0.65 -0.61 1.13 1.12 -0.86 0.82 114.38 116.08 2b7t h ARG 67 Ca 0.18 0.04 0.07 0.00 -1.11 0.00 0.00 59.98 59.16 2b7t h ARG 67 Cb 0.26 0.15 -0.06 0.00 -0.01 0.00 0.00 29.97 30.31 2b7t h ARG 67 CO -0.01 -0.43 0.29 1.03 -3.11 0.00 0.00 179.97 177.74 2b7t h SER 68 N -0.67 0.38 0.30 -3.80 0.87 -0.52 0.55 113.55 110.65 2b7t h SER 68 Ca -0.00 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 2b7t h SER 68 Cb 0.64 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2b7t h SER 68 CO -0.12 0.24 -0.14 0.15 -0.53 0.00 0.00 176.83 176.44 2b7t h PHE 69 N 0.53 0.00 0.00 2.24 3.57 -0.92 -3.32 116.94 119.04 2b7t h PHE 69 Ca 0.29 0.00 -0.38 0.00 3.53 0.00 0.00 57.97 61.41 2b7t h PHE 69 Cb 0.27 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.94 2b7t h PHE 69 CO -0.12 0.14 -2.43 0.28 -2.23 0.00 0.00 178.31 173.94 2b7t n VAL 70 N -3.84 1.44 -1.71 1.41 0.31 0.25 -5.04 118.33 111.15 2b7t n VAL 70 Ca -0.02 -0.58 -0.36 0.00 -0.01 0.00 0.00 64.34 63.37 2b7t n VAL 70 Cb 0.23 -1.32 0.07 0.00 -0.91 0.00 0.00 33.84 31.92 2b7t n VAL 70 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2b7t s GLN 71 N -2.50 2.53 -0.29 5.55 -2.07 0.14 -5.05 119.66 117.96 2b7t s GLN 71 Ca -0.32 1.90 0.03 0.00 -1.82 0.00 0.00 55.36 55.15 2b7t s GLN 71 Cb 0.09 -1.86 0.17 0.00 -1.09 0.00 0.00 33.01 30.32 2b7t s GLN 71 CO 0.60 -1.57 0.47 0.12 -1.32 0.00 0.00 175.29 173.60 2b7t s PHE 72 N -1.64 -1.31 -2.00 9.60 5.36 -1.26 -5.00 117.98 121.73 2b7t s PHE 72 Ca 0.78 0.57 0.14 0.00 -0.96 0.00 0.00 56.93 57.46 2b7t s PHE 72 Cb -0.33 0.01 0.81 0.00 -0.34 0.00 0.00 43.02 43.17 2b7t s PHE 72 CO 0.40 -1.02 1.23 -0.35 -1.46 0.00 0.00 175.22 174.01