#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 -1.57 0.73 -1.23 0.00 -1.26 -4.92 105.19 96.93 2b7t n GLY 2 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -3.04 0.96 -1.00 1.61 -0.04 -1.26 -4.68 135.00 127.55 2b7t n PRO 3 Ca 0.00 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 2b7t n PRO 3 Cb 0.00 -1.27 -0.10 0.00 -0.04 0.00 0.00 33.50 32.08 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 0.25 3.14 -4.92 0.52 0.31 -1.26 -4.71 118.33 111.66 2b7t n VAL 4 Ca 0.00 -1.71 -0.30 0.00 -0.01 0.00 0.00 64.34 62.31 2b7t n VAL 4 Cb 0.35 -2.16 -0.14 0.00 -0.91 0.00 0.00 33.84 30.97 2b7t n VAL 4 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2b7t s LEU 5 N 0.06 2.24 0.25 7.52 2.01 -1.26 -5.07 118.68 124.43 2b7t s LEU 5 Ca 0.61 -0.54 -0.07 0.00 0.01 0.00 0.00 54.13 54.14 2b7t s LEU 5 Cb 0.24 -1.34 0.45 0.00 0.01 0.00 0.00 46.19 45.55 2b7t s LEU 5 CO -0.02 0.27 1.62 -0.65 1.01 0.00 0.00 176.35 178.58 2b7t h PRO 6 N 4.85 0.07 -0.56 1.29 0.11 -1.90 -2.82 132.00 133.04 2b7t h PRO 6 Ca -0.46 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.75 2b7t h PRO 6 Cb 1.14 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.13 2b7t h PRO 6 CO 0.45 0.04 -0.31 -0.22 -0.21 0.00 0.00 178.00 177.75 2b7t h LYS 7 N 0.07 -0.16 0.49 1.05 3.64 -1.97 -0.17 116.57 119.51 2b7t h LYS 7 Ca 0.43 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.79 2b7t h LYS 7 Cb 0.75 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2b7t h LYS 7 CO -0.73 -0.10 -0.23 -0.91 -2.27 0.00 0.00 179.45 175.20 2b7t h ASN 8 N -0.16 -0.55 0.19 4.20 2.35 -1.79 -0.92 115.58 118.90 2b7t h ASN 8 Ca 0.23 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 2b7t h ASN 8 Cb 0.54 0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.03 2b7t h ASN 8 CO -0.65 -0.20 -0.26 0.00 -1.65 0.00 0.00 177.43 174.66 2b7t h ALA 9 N -0.61 -0.49 -0.09 -0.83 0.00 -1.67 -1.92 119.26 113.65 2b7t h ALA 9 Ca -0.07 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2b7t h ALA 9 Cb 0.60 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2b7t h ALA 9 CO 0.11 -0.82 -0.01 -0.07 0.00 0.00 0.00 179.25 178.46 2b7t h LEU 10 N -0.51 -0.04 -0.76 0.00 -0.00 -0.96 -0.43 115.31 112.60 2b7t h LEU 10 Ca 0.01 0.02 0.08 0.00 -0.00 0.00 0.00 57.88 57.99 2b7t h LEU 10 Cb 0.51 0.04 -0.06 0.00 -0.00 0.00 0.00 40.66 41.14 2b7t h LEU 10 CO -0.11 -0.01 0.43 0.00 -0.00 0.00 0.00 178.44 178.75 2b7t h MET 11 N 0.02 0.73 0.06 1.13 -0.00 -1.24 0.15 114.93 115.79 2b7t h MET 11 Ca 0.04 -0.04 0.02 0.00 -0.00 0.00 0.00 59.70 59.72 2b7t h MET 11 Cb 0.05 -0.17 -0.05 0.00 -0.00 0.00 0.00 31.60 31.43 2b7t h MET 11 CO -0.07 0.48 -0.45 0.37 -0.00 0.00 0.00 176.91 177.24 2b7t h GLN 12 N 0.75 -0.63 -0.06 -0.10 4.15 -0.37 -1.64 115.11 117.22 2b7t h GLN 12 Ca 0.35 0.04 -0.20 0.00 0.77 0.00 0.00 58.65 59.62 2b7t h GLN 12 Cb 0.27 0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 2b7t h GLN 12 CO -0.22 -0.42 -0.79 1.37 -1.93 0.00 0.00 178.83 176.84 2b7t h LEU 13 N -0.65 0.51 -0.73 -2.39 -0.00 -0.90 -1.73 115.31 109.42 2b7t h LEU 13 Ca 0.03 -0.36 0.06 0.00 -0.00 0.00 0.00 57.88 57.61 2b7t h LEU 13 Cb 0.69 -0.15 -0.06 0.00 -0.00 0.00 0.00 40.66 41.14 2b7t h LEU 13 CO -0.29 1.12 0.42 -1.13 -0.00 0.00 0.00 178.44 178.56 2b7t h ASN 14 N 0.27 0.64 0.43 0.17 -0.00 -0.68 0.14 115.58 116.54 2b7t h ASN 14 Ca -0.05 0.03 -0.02 0.00 -0.00 0.00 0.00 56.30 56.27 2b7t h ASN 14 Cb 1.39 -0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 39.60 2b7t h ASN 14 CO 0.14 0.41 -0.33 -0.33 -0.00 0.00 0.00 177.43 177.31 2b7t h GLU 15 N 0.77 -0.70 -0.68 6.67 4.39 -1.26 -3.00 114.58 120.77 2b7t h GLU 15 Ca 0.32 0.05 0.06 0.00 0.34 0.00 0.00 59.36 60.13 2b7t h GLU 15 Cb 0.19 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 28.95 2b7t h GLU 15 CO -0.18 -0.47 0.39 0.82 -1.16 0.00 0.00 179.01 178.40 2b7t h ILE 16 N -0.73 0.97 -2.44 3.13 2.04 -0.83 -3.37 117.51 116.29 2b7t h ILE 16 Ca -0.06 -0.24 -0.53 0.00 1.00 0.00 0.00 64.86 65.03 2b7t h ILE 16 Cb 0.61 0.20 -0.37 0.00 -0.74 0.00 0.00 36.82 36.52 2b7t h ILE 16 CO 0.01 0.13 -0.81 -0.54 0.00 0.00 0.00 178.15 176.94 2b7t s LYS 17 N -6.09 0.56 0.00 2.37 -0.14 0.46 -5.06 119.74 111.83 2b7t s LYS 17 Ca -0.13 -1.20 -0.02 0.00 -1.36 0.00 0.00 55.97 53.26 2b7t s LYS 17 Cb 0.16 -1.16 -0.10 0.00 -1.68 0.00 0.00 37.83 35.06 2b7t s LYS 17 CO 0.76 -1.20 2.23 -0.35 -0.76 0.00 0.00 175.35 176.03 2b7t n PRO 18 N 4.11 1.16 -0.69 -1.68 -0.04 -1.13 -3.89 135.00 132.83 2b7t n PRO 18 Ca 0.12 -0.37 -0.03 0.00 -0.04 0.00 0.00 63.50 63.18 2b7t n PRO 18 Cb 0.39 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 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 2.07 0.46 3.72 0.55 0.00 -1.26 -5.09 105.19 105.62 2b7t n GLY 19 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 2.80 -0.22 0.99 1.02 -1.25 -4.96 118.68 117.06 2b7t s LEU 20 Ca 0.00 1.92 -0.02 0.00 0.02 0.00 0.00 54.13 56.05 2b7t s LEU 20 Cb 0.00 -4.44 0.07 0.00 0.02 0.00 0.00 46.19 41.84 2b7t s LEU 20 CO 0.00 -2.59 0.03 -1.10 0.02 0.00 0.00 176.35 172.71 2b7t s GLN 21 N -4.79 0.81 -0.13 1.70 -0.21 -0.71 -4.93 119.66 111.40 2b7t s GLN 21 Ca 0.64 -0.60 -0.05 0.00 0.02 0.00 0.00 55.36 55.37 2b7t s GLN 21 Cb -0.20 -2.16 -0.04 0.00 1.00 0.00 0.00 33.01 31.62 2b7t s GLN 21 CO 0.57 -0.69 0.05 0.71 -2.12 0.00 0.00 175.29 173.81 2b7t s TYR 22 N 1.75 3.27 -0.03 0.91 1.51 -1.26 -0.63 117.35 122.87 2b7t s TYR 22 Ca -0.00 0.18 0.02 0.00 -1.01 0.00 0.00 57.07 56.26 2b7t s TYR 22 Cb -0.17 -1.93 0.01 0.00 -0.11 0.00 0.00 41.96 39.75 2b7t s TYR 22 CO -0.10 0.38 -0.08 1.41 -1.11 0.00 0.00 175.55 176.04 2b7t s MET 23 N -0.39 0.92 -0.31 -0.62 1.75 -0.01 -4.98 119.30 115.66 2b7t s MET 23 Ca 0.09 -0.27 -0.09 0.00 -1.25 0.00 0.00 55.69 54.16 2b7t s MET 23 Cb -0.12 -0.87 -0.01 0.00 2.84 0.00 0.00 34.83 36.68 2b7t s MET 23 CO 0.02 0.08 0.15 -1.17 -0.65 0.00 0.00 175.02 173.45 2b7t s LEU 24 N 0.28 4.06 -0.09 4.11 1.98 -1.26 -0.94 118.68 126.83 2b7t s LEU 24 Ca -0.04 -0.50 0.01 0.00 -2.89 0.00 0.00 54.13 50.71 2b7t s LEU 24 Cb -0.09 -2.00 -0.02 0.00 0.66 0.00 0.00 46.19 44.74 2b7t s LEU 24 CO 0.00 -0.18 -0.12 -0.76 -1.89 0.00 0.00 176.35 173.41 2b7t s LEU 25 N 1.61 2.85 0.19 -0.68 1.43 0.49 -4.93 118.68 119.65 2b7t s LEU 25 Ca 0.05 -0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.65 2b7t s LEU 25 Cb -0.17 -1.62 -0.08 0.00 0.03 0.00 0.00 46.19 44.35 2b7t s LEU 25 CO 0.06 0.28 1.15 -0.94 0.23 0.00 0.00 176.35 177.12 2b7t s SER 26 N -0.30 7.17 -0.17 2.29 1.04 -1.26 -1.89 113.70 120.58 2b7t s SER 26 Ca 0.03 2.18 -0.29 0.00 0.48 0.00 0.00 55.95 58.35 2b7t s SER 26 Cb -0.13 -2.61 -0.13 0.00 0.10 0.00 0.00 66.02 63.25 2b7t s SER 26 CO 0.03 -0.29 0.89 1.67 0.98 0.00 0.00 173.24 176.51 2b7t n GLN 27 N 2.31 0.00 -0.68 4.02 -0.06 -1.26 -4.68 117.38 117.02 2b7t n GLN 27 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.03 2b7t n GLN 27 Cb 0.45 -0.99 0.00 0.00 -4.06 0.00 0.00 30.24 25.65 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 1.86 0.00 -0.20 1.69 5.66 -0.34 -4.98 114.28 117.97 2b7t n THR 28 Ca 0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.17 2b7t n THR 28 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 0.55 1.62 1.09 0.00 -1.26 -0.64 105.19 106.55 2b7t n GLY 29 Ca 0.00 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.17 1.59 0.00 1.61 -0.04 -1.26 -4.90 135.00 130.83 2b7t n PRO 30 Ca 0.00 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 2b7t n PRO 30 Cb 0.00 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 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 0.01 0.00 1.21 0.52 0.31 -1.26 -4.47 118.33 114.65 2b7t n VAL 31 Ca 0.26 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.72 2b7t n VAL 31 Cb 0.86 0.00 0.67 0.00 -0.91 0.00 0.00 33.84 34.46 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 -3.12 3.52 1.44 -1.26 -4.21 115.22 111.59 2b7t n HIS 32 Ca 0.00 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.50 2b7t n HIS 32 Cb 0.00 -0.35 -0.05 0.00 0.12 0.00 0.00 29.99 29.71 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 -1.35 1.59 -1.62 1.59 0.00 -1.26 -5.13 120.51 114.33 2b7t n ALA 33 Ca 0.11 -2.89 -0.58 0.00 0.00 0.00 0.00 53.44 50.08 2b7t n ALA 33 Cb 0.25 -0.93 -0.08 0.00 0.00 0.00 0.00 19.45 18.70 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 1.71 0.59 -4.13 0.00 -0.02 -1.26 -4.27 135.00 127.62 2b7t n PRO 34 Ca 0.20 0.22 -0.28 0.00 -2.02 0.00 0.00 63.50 61.62 2b7t n PRO 34 Cb 0.54 -1.80 -0.17 0.00 -0.02 0.00 0.00 33.50 32.06 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 1.47 1.49 -0.04 2.45 1.98 0.19 -4.19 118.68 122.03 2b7t s LEU 35 Ca 0.93 -0.38 0.06 0.00 -2.89 0.00 0.00 54.13 51.85 2b7t s LEU 35 Cb -1.18 -0.98 -0.02 0.00 0.66 0.00 0.00 46.19 44.67 2b7t s LEU 35 CO 0.60 -0.06 -0.20 -0.36 -1.89 0.00 0.00 176.35 174.45 2b7t s PHE 36 N 1.37 2.52 -0.07 5.38 0.40 -0.60 -1.20 117.98 125.78 2b7t s PHE 36 Ca 0.00 -0.33 0.05 0.00 -0.60 0.00 0.00 56.93 56.06 2b7t s PHE 36 Cb -0.13 -1.57 -0.01 0.00 0.51 0.00 0.00 43.02 41.81 2b7t s PHE 36 CO -0.06 0.05 -0.23 0.14 0.70 0.00 0.00 175.22 175.83 2b7t s VAL 37 N -0.62 2.26 -0.10 -0.44 -7.23 -0.79 -1.10 120.40 112.37 2b7t s VAL 37 Ca 0.10 -0.99 -0.01 0.00 -1.81 0.00 0.00 61.98 59.27 2b7t s VAL 37 Cb -0.11 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 2b7t s VAL 37 CO 0.00 0.57 -0.07 -0.04 -0.31 0.00 0.00 175.10 175.25 2b7t s MET 38 N -0.15 3.09 -0.24 4.82 -1.94 -0.33 -0.38 119.30 124.17 2b7t s MET 38 Ca -0.04 -0.56 -0.09 0.00 -1.71 0.00 0.00 55.69 53.30 2b7t s MET 38 Cb -0.14 -2.68 -0.04 0.00 2.01 0.00 0.00 34.83 33.98 2b7t s MET 38 CO 0.04 0.49 0.12 -1.54 -0.01 0.00 0.00 175.02 174.12 2b7t s SER 39 N -0.33 5.69 -0.11 3.03 1.04 -0.11 -1.26 113.70 121.64 2b7t s SER 39 Ca 0.05 -0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.48 2b7t s SER 39 Cb -0.12 -2.03 -0.00 0.00 0.10 0.00 0.00 66.02 63.97 2b7t s SER 39 CO 0.02 0.02 -0.22 0.54 0.98 0.00 0.00 173.24 174.58 2b7t s VAL 40 N 1.30 2.19 -0.21 5.02 0.11 0.20 -0.83 120.40 128.18 2b7t s VAL 40 Ca 0.06 -0.97 -0.07 0.00 -2.93 0.00 0.00 61.98 58.07 2b7t s VAL 40 Cb -0.15 -1.85 -0.04 0.00 -1.53 0.00 0.00 36.38 32.82 2b7t s VAL 40 CO 0.05 0.55 0.07 -0.70 -3.33 0.00 0.00 175.10 171.74 2b7t s GLU 41 N 0.39 3.83 -0.00 1.54 -6.30 0.20 -0.35 118.70 118.00 2b7t s GLU 41 Ca -0.17 -0.41 0.01 0.00 -2.50 0.00 0.00 54.97 51.91 2b7t s GLU 41 Cb -0.17 -3.26 -0.02 0.00 0.00 0.00 0.00 34.13 30.67 2b7t s GLU 41 CO 0.07 0.06 0.03 1.55 0.02 0.00 0.00 175.26 177.00 2b7t n VAL 42 N 4.17 0.00 -0.65 3.70 3.14 -0.91 -1.74 118.33 126.04 2b7t n VAL 42 Ca -0.16 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 2b7t n VAL 42 Cb 0.52 0.53 0.00 0.00 -1.06 0.00 0.00 33.84 33.83 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 -1.49 0.00 0.00 6.55 5.15 -1.26 -4.95 115.26 119.25 2b7t n ASN 43 Ca -0.00 -0.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 2b7t n ASN 43 Cb 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.29 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 -0.88 3.36 8.20 0.00 -1.26 -5.15 105.19 109.47 2b7t n GLY 44 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.58 -0.14 1.61 0.00 -1.26 -5.16 119.66 115.28 2b7t s GLN 45 Ca 0.00 0.55 -0.07 0.00 -0.00 0.00 0.00 55.36 55.84 2b7t s GLN 45 Cb 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 33.01 33.25 2b7t s GLN 45 CO 0.00 -0.09 0.10 0.14 0.00 0.00 0.00 175.29 175.44 2b7t s VAL 46 N 0.03 5.16 -0.19 3.63 -7.23 -1.26 -2.14 120.40 118.40 2b7t s VAL 46 Ca -0.02 0.09 -0.03 0.00 -1.81 0.00 0.00 61.98 60.21 2b7t s VAL 46 Cb -0.03 -3.28 -0.01 0.00 0.56 0.00 0.00 36.38 33.62 2b7t s VAL 46 CO 0.01 0.55 -0.07 -0.36 -0.31 0.00 0.00 175.10 174.92 2b7t s PHE 47 N -0.42 2.93 -0.16 2.82 0.40 0.52 -4.83 117.98 119.24 2b7t s PHE 47 Ca 0.11 -0.83 -0.06 0.00 -0.60 0.00 0.00 56.93 55.55 2b7t s PHE 47 Cb -0.12 -2.02 -0.04 0.00 0.51 0.00 0.00 43.02 41.35 2b7t s PHE 47 CO 0.02 -0.43 0.05 -1.21 0.70 0.00 0.00 175.22 174.35 2b7t s GLU 48 N 1.10 3.72 -0.02 0.44 2.02 -1.26 -0.63 118.70 124.08 2b7t s GLU 48 Ca 0.01 -0.35 0.01 0.00 0.02 0.00 0.00 54.97 54.67 2b7t s GLU 48 Cb -0.15 -3.11 0.01 0.00 0.10 0.00 0.00 34.13 30.98 2b7t s GLU 48 CO -0.01 0.40 -0.05 0.20 0.02 0.00 0.00 175.26 175.82 2b7t s GLY 49 N 0.00 0.33 -0.18 -1.39 0.00 -0.39 -4.67 107.32 101.02 2b7t s GLY 49 Ca 0.05 -0.14 -0.07 0.00 0.00 0.00 0.00 44.72 44.56 2b7t s GLY 49 CO 0.01 0.06 0.05 -1.35 0.00 0.00 0.00 173.10 171.87 2b7t s SER 50 N 0.29 5.52 0.05 1.64 1.04 -1.26 -1.19 113.70 119.79 2b7t s SER 50 Ca -0.03 0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.47 2b7t s SER 50 Cb -0.07 -1.94 -0.03 0.00 0.10 0.00 0.00 66.02 64.08 2b7t s SER 50 CO -0.00 0.18 -0.08 -0.83 0.98 0.00 0.00 173.24 173.48 2b7t s GLY 51 N 0.36 0.55 0.00 7.32 0.00 -0.26 -4.64 107.32 110.66 2b7t s GLY 51 Ca 0.02 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 43.93 2b7t s GLY 51 CO 0.00 -0.89 0.54 -1.55 0.00 0.00 0.00 173.10 171.20 2b7t n PRO 52 N 1.30 0.31 -3.55 2.90 -0.04 -1.26 -1.56 135.00 133.10 2b7t n PRO 52 Ca -0.22 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.07 2b7t n PRO 52 Cb 0.55 -1.16 -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 -2.00 0.00 0.45 0.52 -1.32 -1.26 -4.69 115.64 107.34 2b7t s THR 53 Ca 0.05 -0.03 0.17 0.00 -1.21 0.00 0.00 61.69 60.67 2b7t s THR 53 Cb 0.02 -0.97 0.36 0.00 -1.51 0.00 0.00 72.50 70.40 2b7t s THR 53 CO 0.04 -0.02 1.94 0.07 -2.21 0.00 0.00 174.62 174.44 2b7t h LYS 54 N 3.26 0.32 0.00 7.08 2.10 -1.89 -0.43 116.57 127.01 2b7t h LYS 54 Ca -0.27 -0.02 -0.08 0.00 -2.00 0.00 0.00 60.65 58.28 2b7t h LYS 54 Cb 1.14 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.39 2b7t h LYS 54 CO 0.36 0.21 -0.39 0.87 -2.00 0.00 0.00 179.45 178.50 2b7t h LYS 55 N 0.33 0.00 0.00 0.07 1.57 -1.97 -1.25 116.57 115.32 2b7t h LYS 55 Ca 0.33 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.91 2b7t h LYS 55 Cb 0.84 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 2b7t h LYS 55 CO -0.09 0.39 -1.38 -0.22 -0.57 0.00 0.00 179.45 177.58 2b7t h LYS 56 N 0.00 0.00 0.45 3.15 3.64 -1.57 -2.98 116.57 119.26 2b7t h LYS 56 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2b7t h LYS 56 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2b7t h LYS 56 CO 0.05 0.41 -0.22 0.00 -2.27 0.00 0.00 179.45 177.43 2b7t h ALA 57 N 1.28 -0.61 -0.76 5.00 0.00 -0.97 -0.98 119.26 122.22 2b7t h ALA 57 Ca -0.17 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.62 2b7t h ALA 57 Cb 1.70 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.68 2b7t h ALA 57 CO 0.06 -0.75 0.50 1.57 0.00 0.00 0.00 179.25 180.63 2b7t h LYS 58 N -0.79 0.80 0.08 0.00 5.09 -1.39 -0.87 116.57 119.50 2b7t h LYS 58 Ca -0.06 -0.05 0.02 0.00 0.09 0.00 0.00 60.65 60.65 2b7t h LYS 58 Cb 0.55 -0.18 -0.05 0.00 0.10 0.00 0.00 32.23 32.65 2b7t h LYS 58 CO 0.10 0.53 -0.52 1.25 -2.09 0.00 0.00 179.45 178.73 2b7t h LEU 59 N 0.83 -1.56 -0.42 7.07 5.85 -1.48 -0.86 115.31 124.73 2b7t h LEU 59 Ca 0.32 0.17 0.06 0.00 0.84 0.00 0.00 57.88 59.27 2b7t h LEU 59 Cb 0.21 0.58 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 2b7t h LEU 59 CO -0.11 -0.54 0.12 -0.74 -0.34 0.00 0.00 178.44 176.83 2b7t h HIS 60 N -0.72 0.20 0.26 1.25 2.76 -0.18 0.26 115.15 119.00 2b7t h HIS 60 Ca 0.01 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 2b7t h HIS 60 Cb 0.74 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.66 2b7t h HIS 60 CO -0.46 0.05 -0.26 0.00 -1.30 0.00 0.00 177.93 175.96 2b7t h ALA 61 N 1.30 -0.96 -0.80 5.26 0.00 -1.18 -2.16 119.26 120.72 2b7t h ALA 61 Ca 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2b7t h ALA 61 Cb 0.22 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2b7t h ALA 61 CO -0.23 -0.98 0.44 0.00 0.00 0.00 0.00 179.25 178.48 2b7t h ALA 62 N -1.34 1.02 0.03 0.00 0.00 -0.90 0.28 119.26 118.36 2b7t h ALA 62 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2b7t h ALA 62 Cb 0.45 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2b7t h ALA 62 CO -0.03 0.54 -0.09 1.49 0.00 0.00 0.00 179.25 181.16 2b7t h GLU 63 N 1.11 -0.14 0.00 0.00 4.22 -0.53 -1.99 114.58 117.25 2b7t h GLU 63 Ca 0.28 0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.69 2b7t h GLU 63 Cb 0.03 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2b7t h GLU 63 CO -0.04 -0.09 -0.19 1.57 -2.18 0.00 0.00 179.01 178.08 2b7t h LYS 64 N -0.14 0.00 0.42 1.92 2.10 -1.34 -0.62 116.57 118.90 2b7t h LYS 64 Ca -0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2b7t h LYS 64 Cb 0.14 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.44 2b7t h LYS 64 CO -0.04 0.19 -0.44 0.00 -2.00 0.00 0.00 179.45 177.15 2b7t h ALA 65 N 1.81 -0.96 -0.40 0.07 0.00 -0.16 0.30 119.26 119.91 2b7t h ALA 65 Ca -0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2b7t h ALA 65 Cb 0.41 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2b7t h ALA 65 CO 0.02 -1.08 0.02 -0.07 0.00 0.00 0.00 179.25 178.14 2b7t h LEU 66 N -0.88 0.68 0.23 0.00 -0.00 -1.31 -1.46 115.31 112.57 2b7t h LEU 66 Ca -0.04 -0.30 0.01 0.00 -0.00 0.00 0.00 57.88 57.55 2b7t h LEU 66 Cb 0.78 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 41.23 2b7t h LEU 66 CO -0.08 0.81 -0.33 -0.09 -0.00 0.00 0.00 178.44 178.76 2b7t h ARG 67 N 0.53 -0.60 -0.54 1.13 2.43 -0.82 0.38 114.38 116.91 2b7t h ARG 67 Ca 0.12 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 2b7t h ARG 67 Cb 0.45 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 2b7t h ARG 67 CO 0.02 -0.40 0.06 1.03 -1.51 0.00 0.00 179.97 179.17 2b7t h SER 68 N -0.62 0.83 -0.74 -3.80 0.87 -0.51 -2.24 113.55 107.33 2b7t h SER 68 Ca 0.01 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.37 2b7t h SER 68 Cb 0.60 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.31 2b7t h SER 68 CO -0.13 0.85 0.42 0.15 -0.53 0.00 0.00 176.83 177.59 2b7t h PHE 69 N 0.82 1.02 0.00 2.24 3.57 -1.03 -0.49 116.94 123.07 2b7t h PHE 69 Ca 0.17 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2b7t h PHE 69 Cb 0.40 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2b7t h PHE 69 CO 0.02 0.71 0.00 0.28 -2.23 0.00 0.00 178.31 177.09 2b7t n VAL 70 N -4.36 0.03 -2.87 1.41 0.31 0.10 -4.92 118.33 108.04 2b7t n VAL 70 Ca 0.08 0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 64.19 2b7t n VAL 70 Cb 0.09 -0.69 0.02 0.00 -0.91 0.00 0.00 33.84 32.36 2b7t n VAL 70 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2b7t n GLN 71 N -1.02 -4.10 -0.24 5.55 7.27 -0.19 -4.95 117.38 119.69 2b7t n GLN 71 Ca 0.15 0.94 0.16 0.00 0.07 0.00 0.00 57.00 58.31 2b7t n GLN 71 Cb 0.08 -5.76 0.46 0.00 2.41 0.00 0.00 30.24 27.43 2b7t n GLN 71 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 2b7t h PHE 72 N -1.04 0.65 -0.00 3.69 3.04 -1.62 -3.49 116.94 118.17 2b7t h PHE 72 Ca -0.52 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.45 2b7t h PHE 72 Cb 1.37 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 39.68 2b7t h PHE 72 CO 0.54 0.21 0.00 -0.35 -2.02 0.00 0.00 178.31 176.69