#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 -1.30 0.90 -1.23 0.00 -1.26 -5.01 105.19 97.30 2b7t n GLY 2 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2b7t n GLY 2 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2b7t n PRO 3 N -0.04 0.01 -3.95 1.61 -0.02 -1.26 -4.70 135.00 126.65 2b7t n PRO 3 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 2b7t n PRO 3 Cb 0.00 -1.40 -0.16 0.00 -0.02 0.00 0.00 33.50 31.93 2b7t n PRO 3 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2b7t s VAL 4 N 0.59 1.52 0.60 -1.45 0.11 -1.26 -4.97 120.40 115.55 2b7t s VAL 4 Ca 0.00 -1.13 0.00 0.00 -2.93 0.00 0.00 61.98 57.92 2b7t s VAL 4 Cb 0.00 -1.74 0.00 0.00 -1.53 0.00 0.00 36.38 33.11 2b7t s VAL 4 CO 0.00 -0.03 0.00 0.18 -3.33 0.00 0.00 175.10 171.92 2b7t n LEU 5 N 4.69 -1.64 0.10 2.54 4.32 -1.26 -4.77 117.00 120.98 2b7t n LEU 5 Ca -0.13 2.85 0.01 0.00 -0.02 0.00 0.00 56.01 58.73 2b7t n LEU 5 Cb 0.45 -3.23 0.34 0.00 -1.62 0.00 0.00 43.42 39.36 2b7t n LEU 5 CO 0.18 -0.96 0.82 1.55 -1.22 0.00 0.00 177.39 177.76 2b7t h PRO 6 N 0.01 0.25 0.00 3.23 0.13 -1.93 -3.41 132.00 130.28 2b7t h PRO 6 Ca -0.02 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2b7t h PRO 6 Cb 1.02 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2b7t h PRO 6 CO 0.01 0.45 0.00 0.36 -0.23 0.00 0.00 178.00 178.59 2b7t n LYS 7 N -4.20 0.00 -0.12 0.86 2.85 -1.26 -1.14 118.16 115.14 2b7t n LYS 7 Ca -0.01 0.02 -0.05 0.00 -1.05 0.00 0.00 58.31 57.22 2b7t n LYS 7 Cb 0.33 -0.08 0.03 0.00 -0.65 0.00 0.00 35.03 34.65 2b7t n LYS 7 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 177.40 174.40 2b7t h ASN 8 N 0.00 0.17 0.87 -5.58 -1.07 -1.89 -0.35 115.58 107.73 2b7t h ASN 8 Ca 0.00 0.04 -0.04 0.00 0.07 0.00 0.00 56.30 56.37 2b7t h ASN 8 Cb 0.00 0.02 0.00 0.00 -2.07 0.00 0.00 38.32 36.27 2b7t h ASN 8 CO 0.00 0.13 -0.49 0.00 0.07 0.00 0.00 177.43 177.15 2b7t h ALA 9 N 1.26 -1.29 -0.20 4.14 0.00 -1.81 -1.88 119.26 119.49 2b7t h ALA 9 Ca 0.19 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2b7t h ALA 9 Cb 0.16 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2b7t h ALA 9 CO -0.18 -1.24 0.04 -0.07 0.00 0.00 0.00 179.25 177.80 2b7t h LEU 10 N -1.26 0.02 -0.87 0.00 -0.00 -0.87 -0.84 115.31 111.49 2b7t h LEU 10 Ca -0.12 0.03 0.09 0.00 -0.00 0.00 0.00 57.88 57.88 2b7t h LEU 10 Cb 0.99 0.04 -0.07 0.00 -0.00 0.00 0.00 40.66 41.61 2b7t h LEU 10 CO 0.15 0.04 0.53 0.00 -0.00 0.00 0.00 178.44 179.15 2b7t h MET 11 N 0.12 0.88 0.10 1.13 -0.00 -1.15 0.15 114.93 116.15 2b7t h MET 11 Ca 0.09 -0.05 0.01 0.00 -0.00 0.00 0.00 59.70 59.75 2b7t h MET 11 Cb 0.08 -0.20 -0.04 0.00 -0.00 0.00 0.00 31.60 31.44 2b7t h MET 11 CO -0.11 0.58 -0.47 0.37 -0.00 0.00 0.00 176.91 177.28 2b7t h GLN 12 N 0.90 -0.64 -0.13 -0.10 4.15 -0.32 -1.66 115.11 117.31 2b7t h GLN 12 Ca 0.41 0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.70 2b7t h GLN 12 Cb 0.31 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 2b7t h GLN 12 CO -0.22 -0.43 -0.64 1.37 -1.93 0.00 0.00 178.83 176.98 2b7t h LEU 13 N -0.66 0.54 -0.78 -2.39 -0.00 -0.91 -1.85 115.31 109.26 2b7t h LEU 13 Ca -0.00 -0.32 0.05 0.00 -0.00 0.00 0.00 57.88 57.60 2b7t h LEU 13 Cb 0.67 -0.16 -0.05 0.00 -0.00 0.00 0.00 40.66 41.12 2b7t h LEU 13 CO -0.26 1.04 0.48 -1.13 -0.00 0.00 0.00 178.44 178.57 2b7t h ASN 14 N 0.34 0.77 0.43 0.17 -0.00 -0.72 0.21 115.58 116.78 2b7t h ASN 14 Ca -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 56.29 2b7t h ASN 14 Cb 1.19 -0.15 -0.02 0.00 -0.00 0.00 0.00 38.32 39.34 2b7t h ASN 14 CO 0.11 0.51 -0.35 -0.33 -0.00 0.00 0.00 177.43 177.38 2b7t h GLU 15 N 0.91 -0.75 -0.84 6.67 5.08 -1.14 -2.23 114.58 122.28 2b7t h GLU 15 Ca 0.33 0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.76 2b7t h GLU 15 Cb 0.10 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2b7t h GLU 15 CO -0.14 -0.50 0.55 0.82 -1.00 0.00 0.00 179.01 178.73 2b7t h ILE 16 N -0.78 1.19 -2.34 3.13 2.04 -0.90 -3.38 117.51 116.47 2b7t h ILE 16 Ca -0.04 -0.38 -0.53 0.00 1.00 0.00 0.00 64.86 64.91 2b7t h ILE 16 Cb 0.68 -0.01 -0.36 0.00 -0.74 0.00 0.00 36.82 36.38 2b7t h ILE 16 CO -0.01 0.20 -0.85 -0.54 0.00 0.00 0.00 178.15 176.94 2b7t s LYS 17 N -6.12 0.70 -0.02 2.37 -0.14 0.69 -5.05 119.74 112.16 2b7t s LYS 17 Ca -0.13 -1.50 -0.05 0.00 -1.36 0.00 0.00 55.97 52.92 2b7t s LYS 17 Cb 0.16 -1.19 -0.23 0.00 -1.68 0.00 0.00 37.83 34.89 2b7t s LYS 17 CO 0.79 -1.27 3.21 -0.35 -0.76 0.00 0.00 175.35 176.96 2b7t n PRO 18 N 3.63 1.76 -2.42 -1.68 -0.04 -0.84 -4.02 135.00 131.39 2b7t n PRO 18 Ca 0.18 -0.89 -0.03 0.00 -0.04 0.00 0.00 63.50 62.72 2b7t n PRO 18 Cb 0.43 -1.95 0.04 0.00 -0.04 0.00 0.00 33.50 31.98 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 2.58 0.15 3.93 0.55 0.00 -1.26 -5.11 105.19 106.03 2b7t n GLY 19 Ca 0.38 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.28 4.07 -0.22 0.99 1.02 -1.26 -4.86 118.68 116.14 2b7t s LEU 20 Ca 0.08 0.49 -0.00 0.00 0.02 0.00 0.00 54.13 54.71 2b7t s LEU 20 Cb 0.19 -3.32 0.06 0.00 0.02 0.00 0.00 46.19 43.14 2b7t s LEU 20 CO -0.05 -0.22 -0.03 -1.10 0.02 0.00 0.00 176.35 174.97 2b7t s GLN 21 N -3.96 1.37 -0.14 1.70 1.11 -0.72 -4.94 119.66 114.08 2b7t s GLN 21 Ca 0.40 -0.84 -0.06 0.00 0.01 0.00 0.00 55.36 54.87 2b7t s GLN 21 Cb -0.10 -2.47 -0.04 0.00 -1.01 0.00 0.00 33.01 29.39 2b7t s GLN 21 CO 0.33 -0.61 0.07 0.71 0.01 0.00 0.00 175.29 175.80 2b7t s TYR 22 N 1.51 3.32 -0.03 0.91 1.51 -1.26 -0.52 117.35 122.79 2b7t s TYR 22 Ca -0.05 0.23 0.02 0.00 -1.01 0.00 0.00 57.07 56.27 2b7t s TYR 22 Cb -0.18 -1.96 0.00 0.00 -0.11 0.00 0.00 41.96 39.71 2b7t s TYR 22 CO -0.07 0.40 -0.09 1.41 -1.11 0.00 0.00 175.55 176.10 2b7t s MET 23 N -0.35 0.94 -0.23 -0.62 1.75 0.13 -5.00 119.30 115.91 2b7t s MET 23 Ca 0.09 -0.29 -0.08 0.00 -1.25 0.00 0.00 55.69 54.17 2b7t s MET 23 Cb -0.12 -0.88 -0.04 0.00 2.84 0.00 0.00 34.83 36.64 2b7t s MET 23 CO 0.02 0.10 0.09 -1.17 -0.65 0.00 0.00 175.02 173.40 2b7t s LEU 24 N 0.23 3.64 0.27 4.11 1.98 -1.26 -0.92 118.68 126.74 2b7t s LEU 24 Ca -0.04 -0.09 0.02 0.00 -2.89 0.00 0.00 54.13 51.13 2b7t s LEU 24 Cb -0.09 -1.97 -0.04 0.00 0.66 0.00 0.00 46.19 44.75 2b7t s LEU 24 CO 0.00 0.03 0.12 -1.48 -1.89 0.00 0.00 176.35 173.13 2b7t s LEU 25 N 1.26 1.62 0.00 -0.68 2.34 0.08 -5.02 118.68 118.29 2b7t s LEU 25 Ca 0.05 -1.45 0.00 0.00 0.06 0.00 0.00 54.13 52.79 2b7t s LEU 25 Cb -0.14 0.11 0.00 0.00 -0.56 0.00 0.00 46.19 45.59 2b7t s LEU 25 CO 0.04 -0.80 0.00 -1.54 -1.06 0.00 0.00 176.35 172.99 2b7t n SER 26 N -0.64 0.00 -4.29 1.48 3.41 -1.26 -1.74 113.62 110.57 2b7t n SER 26 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 2b7t n SER 26 Cb 0.66 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.47 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 3.27 0.00 4.33 -0.44 -1.26 -3.46 119.66 122.10 2b7t s GLN 27 Ca 0.00 -0.70 0.00 0.00 -2.50 0.00 0.00 55.36 52.16 2b7t s GLN 27 Cb 0.00 -3.03 0.00 0.00 -1.64 0.00 0.00 33.01 28.34 2b7t s GLN 27 CO 0.00 -0.25 0.00 -2.37 0.50 0.00 0.00 175.29 173.17 2b7t n THR 28 N 4.78 0.00 0.00 -0.34 5.66 -0.57 -5.02 114.28 118.79 2b7t n THR 28 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 2b7t n THR 28 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 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 1.01 1.35 1.09 0.00 -1.26 -0.55 105.19 106.83 2b7t n GLY 29 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.20 0.93 -0.23 1.61 -0.04 -1.10 -4.78 135.00 131.19 2b7t n PRO 30 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2b7t n PRO 30 Cb 0.00 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 1.20 0.00 -0.62 0.52 0.31 -1.26 -4.49 118.33 113.99 2b7t n VAL 31 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2b7t n VAL 31 Cb 0.47 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 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 -2.00 0.00 -3.83 3.52 1.44 -1.26 -5.06 115.22 108.03 2b7t n HIS 32 Ca 0.00 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.62 2b7t n HIS 32 Cb 0.00 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.04 2b7t n HIS 32 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2b7t s ALA 33 N -0.04 -0.33 0.85 1.59 0.00 -1.26 -5.17 121.76 117.40 2b7t s ALA 33 Ca 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 2b7t s ALA 33 Cb 0.00 0.49 0.10 0.00 0.00 0.00 0.00 23.12 23.71 2b7t s ALA 33 CO 0.00 -0.51 1.09 -2.14 0.00 0.00 0.00 175.76 174.20 2b7t s PRO 34 N -3.72 1.64 -0.07 0.00 0.02 -1.26 -2.73 135.00 128.89 2b7t s PRO 34 Ca 0.04 0.78 -0.05 0.00 0.02 0.00 0.00 61.00 61.78 2b7t s PRO 34 Cb 0.04 -1.86 0.03 0.00 0.02 0.00 0.00 34.50 32.73 2b7t s PRO 34 CO -0.10 -1.96 0.19 -1.17 -0.33 0.00 0.00 177.00 173.62 2b7t s LEU 35 N -6.03 0.99 0.01 -5.54 1.98 0.28 -4.34 118.68 106.04 2b7t s LEU 35 Ca 0.62 0.38 0.03 0.00 -2.89 0.00 0.00 54.13 52.28 2b7t s LEU 35 Cb -0.17 0.59 -0.01 0.00 0.66 0.00 0.00 46.19 47.26 2b7t s LEU 35 CO 0.56 -0.10 -0.11 -0.36 -1.89 0.00 0.00 176.35 174.45 2b7t s PHE 36 N 0.58 0.96 -0.05 5.38 0.40 -0.10 -1.52 117.98 123.63 2b7t s PHE 36 Ca -0.04 -0.25 0.06 0.00 -0.60 0.00 0.00 56.93 56.11 2b7t s PHE 36 Cb -0.05 -0.60 -0.01 0.00 0.51 0.00 0.00 43.02 42.87 2b7t s PHE 36 CO -0.03 -0.01 -0.25 0.14 0.70 0.00 0.00 175.22 175.78 2b7t s VAL 37 N -0.50 2.01 -0.11 -0.44 -7.23 -0.71 -1.03 120.40 112.39 2b7t s VAL 37 Ca 0.02 -1.05 -0.01 0.00 -1.81 0.00 0.00 61.98 59.13 2b7t s VAL 37 Cb -0.05 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 2b7t s VAL 37 CO 0.00 0.56 -0.05 -0.04 -0.31 0.00 0.00 175.10 175.26 2b7t s MET 38 N -0.21 3.16 -0.21 4.82 -1.94 -0.23 -0.74 119.30 123.95 2b7t s MET 38 Ca -0.02 -0.52 -0.14 0.00 -1.71 0.00 0.00 55.69 53.30 2b7t s MET 38 Cb -0.13 -2.75 -0.04 0.00 2.01 0.00 0.00 34.83 33.92 2b7t s MET 38 CO 0.03 0.49 0.32 -1.54 -0.01 0.00 0.00 175.02 174.31 2b7t s SER 39 N -0.33 6.35 -0.11 3.03 1.04 -0.09 -1.06 113.70 122.51 2b7t s SER 39 Ca 0.05 0.40 0.02 0.00 0.48 0.00 0.00 55.95 56.90 2b7t s SER 39 Cb -0.12 -2.19 -0.01 0.00 0.10 0.00 0.00 66.02 63.80 2b7t s SER 39 CO 0.02 -0.01 -0.18 0.54 0.98 0.00 0.00 173.24 174.59 2b7t s VAL 40 N 1.12 2.60 -0.20 5.02 0.11 0.14 -0.69 120.40 128.49 2b7t s VAL 40 Ca 0.15 -0.83 -0.07 0.00 -2.93 0.00 0.00 61.98 58.30 2b7t s VAL 40 Cb -0.14 -2.05 -0.04 0.00 -1.53 0.00 0.00 36.38 32.62 2b7t s VAL 40 CO 0.06 0.54 0.06 -0.70 -3.33 0.00 0.00 175.10 171.74 2b7t s GLU 41 N 0.29 3.85 0.00 1.54 -6.30 0.32 -0.35 118.70 118.06 2b7t s GLU 41 Ca -0.13 -0.40 0.00 0.00 -2.50 0.00 0.00 54.97 51.94 2b7t s GLU 41 Cb -0.17 -3.24 0.00 0.00 0.00 0.00 0.00 34.13 30.72 2b7t s GLU 41 CO 0.07 0.11 0.00 1.55 0.02 0.00 0.00 175.26 177.01 2b7t n VAL 42 N 4.01 0.00 -0.45 3.70 3.14 -0.82 -1.76 118.33 126.15 2b7t n VAL 42 Ca -0.16 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.80 2b7t n VAL 42 Cb 0.52 0.95 0.00 0.00 -1.06 0.00 0.00 33.84 34.25 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 -0.97 0.00 0.00 6.55 5.15 -1.26 -4.96 115.26 119.77 2b7t n ASN 43 Ca 0.00 -0.07 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 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 0.43 3.03 8.20 0.00 -1.26 -5.14 105.19 110.44 2b7t n GLY 44 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.33 -0.08 1.61 0.00 -1.26 -5.16 119.66 115.10 2b7t s GLN 45 Ca 0.00 -0.33 -0.02 0.00 -0.00 0.00 0.00 55.36 55.01 2b7t s GLN 45 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 33.01 33.11 2b7t s GLN 45 CO 0.00 -0.07 0.03 0.14 0.00 0.00 0.00 175.29 175.40 2b7t s VAL 46 N -1.03 4.55 -0.14 3.63 -7.23 -1.26 -1.95 120.40 116.97 2b7t s VAL 46 Ca -0.11 -0.20 0.01 0.00 -1.81 0.00 0.00 61.98 59.87 2b7t s VAL 46 Cb -0.07 -2.95 0.02 0.00 0.56 0.00 0.00 36.38 33.95 2b7t s VAL 46 CO 0.00 0.57 -0.15 -0.36 -0.31 0.00 0.00 175.10 174.86 2b7t s PHE 47 N -0.95 2.19 -0.17 2.82 0.40 0.53 -4.86 117.98 117.94 2b7t s PHE 47 Ca 0.15 -1.20 -0.06 0.00 -0.60 0.00 0.00 56.93 55.22 2b7t s PHE 47 Cb -0.11 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.79 2b7t s PHE 47 CO 0.04 -0.64 0.04 -2.00 0.70 0.00 0.00 175.22 173.36 2b7t s GLU 48 N 1.36 3.81 -0.02 0.44 2.12 -1.26 -0.69 118.70 124.46 2b7t s GLU 48 Ca 0.02 -0.37 0.02 0.00 0.36 0.00 0.00 54.97 55.00 2b7t s GLU 48 Cb -0.13 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.14 2b7t s GLU 48 CO -0.09 0.33 -0.05 0.20 -0.54 0.00 0.00 175.26 175.11 2b7t s GLY 49 N 0.19 0.33 -0.18 -1.50 0.00 -0.23 -4.70 107.32 101.24 2b7t s GLY 49 Ca 0.03 -0.18 -0.07 0.00 0.00 0.00 0.00 44.72 44.50 2b7t s GLY 49 CO 0.01 -0.01 0.04 -1.35 0.00 0.00 0.00 173.10 171.80 2b7t s SER 50 N 0.19 5.50 0.05 1.64 1.04 -1.26 -1.07 113.70 119.78 2b7t s SER 50 Ca -0.02 0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.49 2b7t s SER 50 Cb -0.06 -1.93 -0.03 0.00 0.10 0.00 0.00 66.02 64.10 2b7t s SER 50 CO -0.00 0.18 -0.08 -0.83 0.98 0.00 0.00 173.24 173.49 2b7t s GLY 51 N 0.33 0.58 0.00 7.32 0.00 -0.20 -4.57 107.32 110.79 2b7t s GLY 51 Ca 0.02 -0.88 0.08 0.00 0.00 0.00 0.00 44.72 43.94 2b7t s GLY 51 CO 0.01 -0.94 0.89 -1.55 0.00 0.00 0.00 173.10 171.50 2b7t n PRO 52 N 1.20 0.34 -3.68 2.90 -0.04 -1.26 -0.92 135.00 133.54 2b7t n PRO 52 Ca -0.21 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.10 2b7t n PRO 52 Cb 0.56 -1.37 -0.08 0.00 -0.04 0.00 0.00 33.50 32.57 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 0.03 0.48 0.52 -1.32 -1.26 -4.42 115.64 107.67 2b7t s THR 53 Ca 0.12 -0.23 0.23 0.00 -1.21 0.00 0.00 61.69 60.59 2b7t s THR 53 Cb 0.05 -0.74 0.40 0.00 -1.51 0.00 0.00 72.50 70.71 2b7t s THR 53 CO 0.09 -0.13 1.93 0.07 -2.21 0.00 0.00 174.62 174.37 2b7t h LYS 54 N 3.96 0.18 0.00 7.08 2.10 -1.88 -0.71 116.57 127.31 2b7t h LYS 54 Ca -0.28 -0.01 -0.11 0.00 -2.00 0.00 0.00 60.65 58.25 2b7t h LYS 54 Cb 1.17 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.44 2b7t h LYS 54 CO 0.35 0.12 -0.51 0.87 -2.00 0.00 0.00 179.45 178.29 2b7t h LYS 55 N 0.19 0.00 0.08 0.07 1.57 -1.97 -0.94 116.57 115.57 2b7t h LYS 55 Ca 0.36 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.87 2b7t h LYS 55 Cb 1.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 2b7t h LYS 55 CO -0.07 0.51 -1.37 0.87 -0.57 0.00 0.00 179.45 178.82 2b7t h LYS 56 N 0.00 0.16 0.18 3.15 1.57 -1.68 -3.17 116.57 116.79 2b7t h LYS 56 Ca -0.01 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2b7t h LYS 56 Cb 0.91 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2b7t h LYS 56 CO 0.07 1.03 -0.16 0.00 -0.57 0.00 0.00 179.45 179.81 2b7t h ALA 57 N 0.70 -0.34 -0.83 3.86 0.00 -0.89 0.33 119.26 122.10 2b7t h ALA 57 Ca -0.17 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2b7t h ALA 57 Cb 1.95 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.91 2b7t h ALA 57 CO 0.15 -0.71 0.52 1.57 0.00 0.00 0.00 179.25 180.79 2b7t h LYS 58 N -0.37 0.97 -0.11 0.00 5.09 -1.35 -0.56 116.57 120.25 2b7t h LYS 58 Ca -0.00 -0.06 0.04 0.00 0.09 0.00 0.00 60.65 60.72 2b7t h LYS 58 Cb 0.34 -0.22 -0.04 0.00 0.10 0.00 0.00 32.23 32.40 2b7t h LYS 58 CO -0.03 0.64 -0.15 1.25 -2.09 0.00 0.00 179.45 179.07 2b7t h LEU 59 N 1.00 -0.47 -0.22 7.07 6.46 -1.47 -0.30 115.31 127.38 2b7t h LEU 59 Ca 0.34 0.08 0.04 0.00 -0.12 0.00 0.00 57.88 58.23 2b7t h LEU 59 Cb 0.05 0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.16 2b7t h LEU 59 CO -0.13 -0.20 -0.06 -0.74 -0.62 0.00 0.00 178.44 176.69 2b7t h HIS 60 N -0.20 -0.12 0.44 1.25 2.76 -0.57 0.16 115.15 118.87 2b7t h HIS 60 Ca 0.09 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 2b7t h HIS 60 Cb 0.32 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 2b7t h HIS 60 CO -0.26 -0.10 -0.41 0.00 -1.30 0.00 0.00 177.93 175.87 2b7t h ALA 61 N 1.22 -1.10 -0.79 5.26 0.00 -0.92 -1.85 119.26 121.08 2b7t h ALA 61 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2b7t h ALA 61 Cb 0.16 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2b7t h ALA 61 CO -0.23 -1.11 0.50 0.00 0.00 0.00 0.00 179.25 178.40 2b7t h ALA 62 N -1.11 1.01 0.00 0.00 0.00 -1.01 0.24 119.26 118.38 2b7t h ALA 62 Ca -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2b7t h ALA 62 Cb 0.72 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2b7t h ALA 62 CO -0.03 0.45 -0.01 1.49 0.00 0.00 0.00 179.25 181.16 2b7t h GLU 63 N 1.08 -0.01 0.00 0.00 4.22 -0.69 -2.08 114.58 117.11 2b7t h GLU 63 Ca 0.29 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.69 2b7t h GLU 63 Cb -0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2b7t h GLU 63 CO -0.06 -0.01 -0.19 1.57 -2.18 0.00 0.00 179.01 178.14 2b7t h LYS 64 N -0.01 0.00 0.37 1.92 2.10 -1.25 0.14 116.57 119.84 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 0.01 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.32 2b7t h LYS 64 CO -0.00 0.19 -0.42 0.00 -2.00 0.00 0.00 179.45 177.22 2b7t h ALA 65 N 1.81 -1.06 -0.40 0.07 0.00 -0.36 0.33 119.26 119.63 2b7t h ALA 65 Ca -0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2b7t h ALA 65 Cb 0.49 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2b7t h ALA 65 CO 0.03 -1.10 -0.16 -0.07 0.00 0.00 0.00 179.25 177.94 2b7t h LEU 66 N -0.80 0.84 0.48 0.00 -0.00 -1.22 -1.73 115.31 112.89 2b7t h LEU 66 Ca -0.05 -0.39 -0.02 0.00 -0.00 0.00 0.00 57.88 57.43 2b7t h LEU 66 Cb 0.70 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 41.11 2b7t h LEU 66 CO -0.07 1.05 -0.44 -0.09 -0.00 0.00 0.00 178.44 178.88 2b7t h ARG 67 N 0.64 -0.87 -0.89 1.13 2.43 -0.64 -0.65 114.38 115.52 2b7t h ARG 67 Ca 0.09 0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.41 2b7t h ARG 67 Cb 0.71 0.20 -0.07 0.00 -0.42 0.00 0.00 29.97 30.39 2b7t h ARG 67 CO 0.05 -0.58 0.54 1.03 -1.51 0.00 0.00 179.97 179.50 2b7t h SER 68 N -0.90 0.80 -0.42 -3.80 0.87 -0.39 0.33 113.55 110.04 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 0.77 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 2b7t h SER 68 CO -0.03 0.47 0.25 0.15 -0.53 0.00 0.00 176.83 177.14 2b7t h PHE 69 N 0.91 0.57 0.02 2.24 3.57 -1.14 -2.72 116.94 120.39 2b7t h PHE 69 Ca 0.42 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.60 2b7t h PHE 69 Cb 0.33 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 2b7t h PHE 69 CO -0.04 0.39 -1.87 0.28 -2.23 0.00 0.00 178.31 174.84 2b7t n VAL 70 N -4.44 1.61 -3.40 1.41 0.31 -0.27 -4.83 118.33 108.72 2b7t n VAL 70 Ca 0.03 -0.78 -0.18 0.00 -0.01 0.00 0.00 64.34 63.41 2b7t n VAL 70 Cb 0.09 -1.09 -0.10 0.00 -0.91 0.00 0.00 33.84 31.83 2b7t n VAL 70 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2b7t s GLN 71 N -2.57 0.33 0.41 5.55 -0.44 0.11 -5.10 119.66 117.96 2b7t s GLN 71 Ca -0.09 -0.19 -0.22 0.00 -2.50 0.00 0.00 55.36 52.36 2b7t s GLN 71 Cb 0.08 -0.68 -0.11 0.00 -1.64 0.00 0.00 33.01 30.66 2b7t s GLN 71 CO 0.81 -1.04 0.96 0.12 0.50 0.00 0.00 175.29 176.64 2b7t s PHE 72 N 2.31 3.35 -2.00 1.67 5.36 -1.03 -3.54 117.98 124.10 2b7t s PHE 72 Ca 0.10 1.64 0.22 0.00 -0.96 0.00 0.00 56.93 57.92 2b7t s PHE 72 Cb -0.14 -2.89 1.29 0.00 -0.34 0.00 0.00 43.02 40.94 2b7t s PHE 72 CO -0.32 -0.13 1.67 -0.35 -1.46 0.00 0.00 175.22 174.63