#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b7t s GLY 2 N 0.00 0.03 0.34 -1.23 0.00 -1.26 -5.06 107.32 100.13 2b7t s GLY 2 Ca 0.00 -0.32 0.18 0.00 0.00 0.00 0.00 44.72 44.58 2b7t s GLY 2 CO 0.00 0.29 1.55 -0.56 0.00 0.00 0.00 173.10 174.37 2b7t h PRO 3 N 2.00 0.00 -6.97 2.90 0.13 -2.00 -3.46 132.00 124.59 2b7t h PRO 3 Ca -0.25 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.32 2b7t h PRO 3 Cb 1.24 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.52 2b7t h PRO 3 CO 0.31 0.37 0.46 1.55 -0.23 0.00 0.00 178.00 180.46 2b7t n VAL 4 N -3.25 3.82 -3.93 1.56 3.14 -1.26 -5.02 118.33 113.40 2b7t n VAL 4 Ca 0.02 -0.50 -0.10 0.00 -2.96 0.00 0.00 64.34 60.80 2b7t n VAL 4 Cb 0.64 -1.50 -0.06 0.00 -1.06 0.00 0.00 33.84 31.86 2b7t n VAL 4 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 2b7t s LEU 5 N -3.01 0.71 0.08 6.55 2.34 -1.26 -4.11 118.68 119.98 2b7t s LEU 5 Ca 0.73 -0.82 -0.36 0.00 0.06 0.00 0.00 54.13 53.74 2b7t s LEU 5 Cb -0.43 1.43 -0.16 0.00 -0.56 0.00 0.00 46.19 46.47 2b7t s LEU 5 CO 0.48 -0.95 1.41 -2.65 -1.06 0.00 0.00 176.35 173.58 2b7t n PRO 6 N -0.26 1.35 0.11 1.48 -0.02 -1.26 -4.91 135.00 131.49 2b7t n PRO 6 Ca -0.07 0.49 -0.09 0.00 -2.02 0.00 0.00 63.50 61.81 2b7t n PRO 6 Cb 0.63 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.90 2b7t n PRO 6 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2b7t h LYS 7 N 5.01 -0.44 0.41 -0.52 1.63 -1.96 -1.70 116.57 119.00 2b7t h LYS 7 Ca -0.47 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.35 2b7t h LYS 7 Cb 1.32 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 33.02 2b7t h LYS 7 CO 0.81 -0.29 -0.44 -2.95 -3.45 0.00 0.00 179.45 173.13 2b7t h ASN 8 N -0.45 -1.22 0.63 4.20 -1.07 -1.99 -0.28 115.58 115.40 2b7t h ASN 8 Ca -0.02 0.10 -0.03 0.00 0.07 0.00 0.00 56.30 56.43 2b7t h ASN 8 Cb 0.41 0.41 -0.00 0.00 -2.07 0.00 0.00 38.32 37.07 2b7t h ASN 8 CO -0.07 -0.59 -0.37 0.00 0.07 0.00 0.00 177.43 176.47 2b7t h ALA 9 N -0.57 -0.95 -0.51 4.14 0.00 -1.95 -1.80 119.26 117.61 2b7t h ALA 9 Ca -0.04 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2b7t h ALA 9 Cb 0.78 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2b7t h ALA 9 CO -0.09 -1.04 0.11 -0.07 0.00 0.00 0.00 179.25 178.16 2b7t h LEU 10 N -0.93 0.79 -0.33 0.00 -0.00 -1.14 -0.38 115.31 113.32 2b7t h LEU 10 Ca -0.08 -0.24 0.05 0.00 -0.00 0.00 0.00 57.88 57.61 2b7t h LEU 10 Cb 0.75 -0.21 -0.04 0.00 -0.00 0.00 0.00 40.66 41.15 2b7t h LEU 10 CO 0.09 0.83 0.06 0.00 -0.00 0.00 0.00 178.44 179.43 2b7t h MET 11 N 0.72 0.17 -0.44 1.13 -0.00 -1.15 0.60 114.93 115.96 2b7t h MET 11 Ca 0.16 -0.01 0.05 0.00 -0.00 0.00 0.00 59.70 59.90 2b7t h MET 11 Cb 0.36 -0.04 -0.08 0.00 -0.00 0.00 0.00 31.60 31.84 2b7t h MET 11 CO 0.00 0.11 -0.54 0.37 -0.00 0.00 0.00 176.91 176.86 2b7t h GLN 12 N 0.18 -0.33 0.02 -0.10 4.15 -0.19 -0.36 115.11 118.48 2b7t h GLN 12 Ca 0.16 0.02 -0.25 0.00 0.77 0.00 0.00 58.65 59.35 2b7t h GLN 12 Cb 0.18 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 2b7t h GLN 12 CO -0.21 -0.22 -1.29 1.37 -1.93 0.00 0.00 178.83 176.55 2b7t h LEU 13 N -0.34 0.05 -1.81 -2.39 -0.00 -1.28 -1.98 115.31 107.55 2b7t h LEU 13 Ca 0.08 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2b7t h LEU 13 Cb 0.55 -0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 41.19 2b7t h LEU 13 CO -0.60 1.06 -0.11 0.78 -0.00 0.00 0.00 178.44 179.57 2b7t h ASN 14 N 0.01 0.00 0.62 0.17 2.35 -0.84 0.29 115.58 118.18 2b7t h ASN 14 Ca -0.13 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 2b7t h ASN 14 Cb 1.88 0.00 0.01 0.00 0.05 0.00 0.00 38.32 40.26 2b7t h ASN 14 CO 0.12 0.11 -0.30 -0.33 -1.65 0.00 0.00 177.43 175.38 2b7t h GLU 15 N 0.00 -0.80 -0.92 0.81 4.39 -1.01 -2.04 114.58 115.01 2b7t h GLU 15 Ca -0.00 0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.84 2b7t h GLU 15 Cb 0.20 0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 28.96 2b7t h GLU 15 CO 0.01 -0.49 0.56 0.82 -1.16 0.00 0.00 179.01 178.76 2b7t h ILE 16 N -1.07 0.98 -2.31 3.13 2.04 -0.94 -3.37 117.51 115.98 2b7t h ILE 16 Ca -0.09 -0.33 -0.50 0.00 1.00 0.00 0.00 64.86 64.94 2b7t h ILE 16 Cb 0.69 -0.07 -0.36 0.00 -0.74 0.00 0.00 36.82 36.34 2b7t h ILE 16 CO 0.14 0.18 -0.80 -0.54 0.00 0.00 0.00 178.15 177.13 2b7t s LYS 17 N -6.02 0.62 -0.41 2.37 -0.14 0.97 -5.05 119.74 112.09 2b7t s LYS 17 Ca -0.12 -1.23 -0.06 0.00 -1.36 0.00 0.00 55.97 53.20 2b7t s LYS 17 Cb 0.20 -1.08 -0.16 0.00 -1.68 0.00 0.00 37.83 35.10 2b7t s LYS 17 CO 0.80 -1.22 2.80 -0.35 -0.76 0.00 0.00 175.35 176.61 2b7t n PRO 18 N 3.98 1.97 -2.68 -1.68 -0.04 -0.77 -4.06 135.00 131.72 2b7t n PRO 18 Ca 0.14 -1.11 -0.05 0.00 -0.04 0.00 0.00 63.50 62.44 2b7t n PRO 18 Cb 0.41 -2.12 0.07 0.00 -0.04 0.00 0.00 33.50 31.82 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 2.95 -0.38 3.57 0.55 0.00 -1.26 -5.11 105.19 105.51 2b7t n GLY 19 Ca 0.42 0.24 -0.31 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.07 3.05 -0.26 0.99 1.43 -1.26 -4.79 118.68 115.77 2b7t s LEU 20 Ca 0.15 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 2b7t s LEU 20 Cb 0.23 -1.82 0.08 0.00 0.03 0.00 0.00 46.19 44.72 2b7t s LEU 20 CO -0.09 0.22 0.05 -1.10 0.23 0.00 0.00 176.35 175.66 2b7t s GLN 21 N -1.89 0.88 -0.13 1.70 1.11 -0.82 -4.91 119.66 115.61 2b7t s GLN 21 Ca 0.20 -0.89 -0.05 0.00 0.01 0.00 0.00 55.36 54.63 2b7t s GLN 21 Cb -0.11 -2.17 -0.04 0.00 -1.01 0.00 0.00 33.01 29.68 2b7t s GLN 21 CO 0.11 -0.81 0.05 0.71 0.01 0.00 0.00 175.29 175.36 2b7t s TYR 22 N 1.63 3.28 -0.02 0.91 1.51 -1.26 -0.61 117.35 122.78 2b7t s TYR 22 Ca 0.04 0.19 0.02 0.00 -1.01 0.00 0.00 57.07 56.30 2b7t s TYR 22 Cb -0.18 -1.94 0.01 0.00 -0.11 0.00 0.00 41.96 39.74 2b7t s TYR 22 CO -0.16 0.37 -0.05 1.41 -1.11 0.00 0.00 175.55 176.01 2b7t s MET 23 N -0.36 0.62 -0.28 -0.62 1.75 -0.16 -4.96 119.30 115.28 2b7t s MET 23 Ca 0.09 -0.16 -0.09 0.00 -1.25 0.00 0.00 55.69 54.28 2b7t s MET 23 Cb -0.12 -0.62 -0.02 0.00 2.84 0.00 0.00 34.83 36.90 2b7t s MET 23 CO 0.02 0.04 0.13 -1.17 -0.65 0.00 0.00 175.02 173.38 2b7t s LEU 24 N 0.33 3.82 -0.01 4.11 1.98 -1.26 -0.68 118.68 126.98 2b7t s LEU 24 Ca -0.04 -0.29 0.07 0.00 -2.89 0.00 0.00 54.13 50.99 2b7t s LEU 24 Cb -0.08 -2.00 -0.02 0.00 0.66 0.00 0.00 46.19 44.75 2b7t s LEU 24 CO -0.00 -0.10 -0.23 -0.76 -1.89 0.00 0.00 176.35 173.37 2b7t s LEU 25 N 1.65 2.29 0.19 -0.68 1.43 0.47 -4.96 118.68 119.07 2b7t s LEU 25 Ca 0.06 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 2b7t s LEU 25 Cb -0.16 -1.40 -0.08 0.00 0.03 0.00 0.00 46.19 44.58 2b7t s LEU 25 CO 0.06 0.31 1.17 -0.94 0.23 0.00 0.00 176.35 177.19 2b7t s SER 26 N -0.82 7.13 -0.14 2.29 1.04 -1.26 -1.86 113.70 120.07 2b7t s SER 26 Ca 0.11 2.21 -0.42 0.00 0.48 0.00 0.00 55.95 58.34 2b7t s SER 26 Cb -0.10 -2.61 -0.20 0.00 0.10 0.00 0.00 66.02 63.21 2b7t s SER 26 CO 0.00 -0.33 1.22 1.67 0.98 0.00 0.00 173.24 176.79 2b7t n GLN 27 N 2.36 0.00 0.00 4.02 -0.06 -1.26 -4.64 117.38 117.80 2b7t n GLN 27 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.04 2b7t n GLN 27 Cb 0.45 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.13 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 2.21 0.00 -0.28 1.69 5.66 -0.08 -4.98 114.28 118.50 2b7t n THR 28 Ca 0.23 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.23 2b7t n THR 28 Cb 0.04 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 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 -1.95 0.83 1.09 0.00 -1.26 -0.90 105.19 102.99 2b7t n GLY 29 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2b7t n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2b7t n PRO 30 N -1.12 0.59 0.00 1.61 -0.02 -1.19 -4.79 135.00 130.09 2b7t n PRO 30 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2b7t n PRO 30 Cb 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 2b7t n PRO 30 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2b7t n VAL 31 N 0.53 0.00 -0.69 -1.45 0.31 -1.26 -4.53 118.33 111.25 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 0.24 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.17 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 -1.80 0.00 -3.81 3.52 1.44 -1.26 -5.03 115.22 108.27 2b7t n HIS 32 Ca 0.00 -0.04 -0.12 0.00 -2.01 0.00 0.00 57.72 55.55 2b7t n HIS 32 Cb 0.00 -0.00 -0.13 0.00 0.12 0.00 0.00 29.99 29.98 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 -0.08 -0.39 0.66 1.59 0.00 -1.26 -5.16 121.76 117.12 2b7t s ALA 33 Ca 0.00 0.47 -0.17 0.00 0.00 0.00 0.00 51.96 52.26 2b7t s ALA 33 Cb 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.84 2b7t s ALA 33 CO 0.00 -0.08 1.26 -2.14 0.00 0.00 0.00 175.76 174.80 2b7t s PRO 34 N 0.15 2.50 -0.15 0.00 0.02 -1.26 -3.15 135.00 133.11 2b7t s PRO 34 Ca -0.01 1.95 -0.07 0.00 0.02 0.00 0.00 61.00 62.89 2b7t s PRO 34 Cb -0.02 -1.85 0.07 0.00 0.02 0.00 0.00 34.50 32.71 2b7t s PRO 34 CO -0.00 -1.61 0.34 -1.17 -0.33 0.00 0.00 177.00 174.23 2b7t s LEU 35 N -4.54 -0.18 0.03 -5.54 1.98 -0.08 -4.33 118.68 106.03 2b7t s LEU 35 Ca 0.80 0.76 0.08 0.00 -2.89 0.00 0.00 54.13 52.87 2b7t s LEU 35 Cb -0.34 1.05 -0.03 0.00 0.66 0.00 0.00 46.19 47.53 2b7t s LEU 35 CO 0.40 -0.21 -0.21 -0.36 -1.89 0.00 0.00 176.35 174.08 2b7t s PHE 36 N 1.94 2.46 -0.06 5.38 0.40 -0.19 -0.90 117.98 127.01 2b7t s PHE 36 Ca -0.05 -0.32 0.06 0.00 -0.60 0.00 0.00 56.93 56.02 2b7t s PHE 36 Cb -0.11 -1.45 -0.01 0.00 0.51 0.00 0.00 43.02 41.97 2b7t s PHE 36 CO -0.11 0.18 -0.25 0.14 0.70 0.00 0.00 175.22 175.89 2b7t s VAL 37 N -0.85 2.04 -0.10 -0.44 -7.23 -0.78 -1.14 120.40 111.90 2b7t s VAL 37 Ca 0.13 -1.05 -0.01 0.00 -1.81 0.00 0.00 61.98 59.23 2b7t s VAL 37 Cb -0.10 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 2b7t s VAL 37 CO 0.03 0.57 -0.04 -0.04 -0.31 0.00 0.00 175.10 175.31 2b7t s MET 38 N -0.11 3.14 -0.30 4.82 -1.94 -0.30 -0.39 119.30 124.22 2b7t s MET 38 Ca -0.05 -0.50 -0.10 0.00 -1.71 0.00 0.00 55.69 53.33 2b7t s MET 38 Cb -0.14 -2.75 -0.01 0.00 2.01 0.00 0.00 34.83 33.93 2b7t s MET 38 CO 0.04 0.52 0.15 -1.54 -0.01 0.00 0.00 175.02 174.18 2b7t s SER 39 N -0.40 5.57 -0.13 3.03 1.04 0.15 -1.17 113.70 121.78 2b7t s SER 39 Ca 0.07 -0.45 -0.02 0.00 0.48 0.00 0.00 55.95 56.03 2b7t s SER 39 Cb -0.12 -2.01 -0.03 0.00 0.10 0.00 0.00 66.02 63.96 2b7t s SER 39 CO 0.02 -0.17 -0.07 0.54 0.98 0.00 0.00 173.24 174.54 2b7t s VAL 40 N 1.63 3.66 -0.23 5.02 0.11 0.08 -0.99 120.40 129.68 2b7t s VAL 40 Ca 0.05 -0.46 -0.08 0.00 -2.93 0.00 0.00 61.98 58.57 2b7t s VAL 40 Cb -0.17 -2.56 -0.04 0.00 -1.53 0.00 0.00 36.38 32.08 2b7t s VAL 40 CO 0.07 0.53 0.08 -0.70 -3.33 0.00 0.00 175.10 171.75 2b7t s GLU 41 N 0.03 3.80 -0.01 1.54 -6.30 0.22 -0.37 118.70 117.62 2b7t s GLU 41 Ca -0.01 -0.41 0.07 0.00 -2.50 0.00 0.00 54.97 52.12 2b7t s GLU 41 Cb -0.14 -3.33 -0.11 0.00 0.00 0.00 0.00 34.13 30.55 2b7t s GLU 41 CO 0.03 -0.03 0.16 1.55 0.02 0.00 0.00 175.26 176.99 2b7t n VAL 42 N 4.46 0.00 -0.67 3.70 3.14 -0.88 -1.94 118.33 126.15 2b7t n VAL 42 Ca -0.16 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 2b7t n VAL 42 Cb 0.52 0.36 0.00 0.00 -1.06 0.00 0.00 33.84 33.66 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 -1.73 0.00 0.00 6.55 5.15 -1.26 -4.98 115.26 118.99 2b7t n ASN 43 Ca -0.01 -0.14 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 2b7t n ASN 43 Cb 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 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 -0.82 3.32 8.20 0.00 -1.26 -5.15 105.19 109.49 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 0.53 -0.15 1.61 0.00 -1.26 -5.17 119.66 115.23 2b7t s GLN 45 Ca 0.00 0.51 -0.07 0.00 -0.00 0.00 0.00 55.36 55.80 2b7t s GLN 45 Cb 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 33.01 33.22 2b7t s GLN 45 CO 0.00 -0.08 0.10 0.14 0.00 0.00 0.00 175.29 175.45 2b7t s VAL 46 N 0.04 5.14 -0.19 3.63 -7.23 -1.26 -2.07 120.40 118.46 2b7t s VAL 46 Ca -0.02 0.08 -0.03 0.00 -1.81 0.00 0.00 61.98 60.20 2b7t s VAL 46 Cb -0.03 -3.27 -0.02 0.00 0.56 0.00 0.00 36.38 33.62 2b7t s VAL 46 CO 0.01 0.54 -0.05 -0.36 -0.31 0.00 0.00 175.10 174.94 2b7t s PHE 47 N -0.39 2.97 -0.20 2.82 0.40 0.50 -4.84 117.98 119.24 2b7t s PHE 47 Ca 0.10 -0.63 -0.07 0.00 -0.60 0.00 0.00 56.93 55.73 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 -0.30 0.06 -1.21 0.70 0.00 0.00 175.22 174.48 2b7t s GLU 48 N 0.93 3.90 -0.02 0.44 2.02 -1.26 -0.74 118.70 123.97 2b7t s GLU 48 Ca -0.00 -0.38 0.02 0.00 0.02 0.00 0.00 54.97 54.63 2b7t s GLU 48 Cb -0.15 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 30.86 2b7t s GLU 48 CO 0.01 0.17 -0.06 0.20 0.02 0.00 0.00 175.26 175.60 2b7t s GLY 49 N 0.64 0.38 -0.17 -1.39 0.00 -0.32 -4.76 107.32 101.70 2b7t s GLY 49 Ca 0.03 -0.22 -0.07 0.00 0.00 0.00 0.00 44.72 44.46 2b7t s GLY 49 CO 0.02 -0.03 0.04 -1.35 0.00 0.00 0.00 173.10 171.78 2b7t s SER 50 N 0.19 5.50 0.03 1.64 1.04 -1.26 -1.15 113.70 119.69 2b7t s SER 50 Ca -0.02 0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.49 2b7t s SER 50 Cb -0.07 -1.92 -0.02 0.00 0.10 0.00 0.00 66.02 64.12 2b7t s SER 50 CO -0.00 0.19 -0.08 -0.83 0.98 0.00 0.00 173.24 173.50 2b7t s GLY 51 N 0.27 0.47 0.00 7.32 0.00 -0.29 -4.59 107.32 110.50 2b7t s GLY 51 Ca 0.03 -0.66 0.09 0.00 0.00 0.00 0.00 44.72 44.17 2b7t s GLY 51 CO 0.01 -0.69 1.01 -1.55 0.00 0.00 0.00 173.10 171.87 2b7t n PRO 52 N 1.77 0.25 -3.87 2.90 -0.04 -1.26 -1.02 135.00 133.73 2b7t n PRO 52 Ca -0.21 0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.18 2b7t n PRO 52 Cb 0.55 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.09 0.08 0.44 0.52 -1.32 -1.26 -4.48 115.64 107.53 2b7t s THR 53 Ca 0.12 -0.70 0.20 0.00 -1.21 0.00 0.00 61.69 60.11 2b7t s THR 53 Cb 0.06 -0.45 0.40 0.00 -1.51 0.00 0.00 72.50 71.00 2b7t s THR 53 CO 0.11 -0.38 1.85 0.07 -2.21 0.00 0.00 174.62 174.05 2b7t h LYS 54 N 4.24 0.32 0.00 7.08 2.10 -1.89 -0.88 116.57 127.54 2b7t h LYS 54 Ca -0.31 -0.02 -0.06 0.00 -2.00 0.00 0.00 60.65 58.27 2b7t h LYS 54 Cb 1.19 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 2b7t h LYS 54 CO 0.41 0.21 -0.27 0.87 -2.00 0.00 0.00 179.45 178.67 2b7t h LYS 55 N 0.33 0.00 0.00 0.07 1.57 -1.97 -1.93 116.57 114.64 2b7t h LYS 55 Ca 0.48 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.98 2b7t h LYS 55 Cb 1.32 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.58 2b7t h LYS 55 CO -0.16 0.27 -1.65 0.87 -0.57 0.00 0.00 179.45 178.21 2b7t h LYS 56 N 0.00 0.00 0.12 3.15 1.57 -1.57 -3.27 116.57 116.58 2b7t h LYS 56 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2b7t h LYS 56 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 2b7t h LYS 56 CO 0.04 0.51 -0.10 0.00 -0.57 0.00 0.00 179.45 179.32 2b7t h ALA 57 N 1.03 -0.21 -0.79 3.86 0.00 -0.94 -0.02 119.26 122.18 2b7t h ALA 57 Ca -0.26 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.70 2b7t h ALA 57 Cb 1.97 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.83 2b7t h ALA 57 CO 0.08 -0.63 0.45 1.57 0.00 0.00 0.00 179.25 180.72 2b7t h LYS 58 N -0.23 0.76 -0.02 0.00 5.09 -1.54 -0.53 116.57 120.10 2b7t h LYS 58 Ca -0.00 -0.05 0.03 0.00 0.09 0.00 0.00 60.65 60.73 2b7t h LYS 58 Cb 0.22 -0.17 -0.04 0.00 0.10 0.00 0.00 32.23 32.33 2b7t h LYS 58 CO -0.02 0.50 -0.22 1.25 -2.09 0.00 0.00 179.45 178.87 2b7t h LEU 59 N 0.78 -0.66 -0.10 7.07 6.46 -1.54 -1.42 115.31 125.91 2b7t h LEU 59 Ca 0.37 0.09 0.03 0.00 -0.12 0.00 0.00 57.88 58.26 2b7t h LEU 59 Cb 0.31 0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.47 2b7t h LEU 59 CO -0.23 -0.29 -0.13 -0.74 -0.62 0.00 0.00 178.44 176.43 2b7t h HIS 60 N -0.34 -0.33 0.48 1.25 2.76 -0.52 0.99 115.15 119.43 2b7t h HIS 60 Ca 0.07 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2b7t h HIS 60 Cb 0.43 0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.54 2b7t h HIS 60 CO -0.27 -0.20 -0.45 0.00 -1.30 0.00 0.00 177.93 175.71 2b7t h ALA 61 N 0.87 -1.13 -0.24 5.26 0.00 -1.00 -1.59 119.26 121.43 2b7t h ALA 61 Ca 0.08 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2b7t h ALA 61 Cb 0.29 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2b7t h ALA 61 CO -0.20 -1.15 0.09 0.00 0.00 0.00 0.00 179.25 178.00 2b7t h ALA 62 N -1.03 0.28 0.40 0.00 0.00 -1.22 0.10 119.26 117.79 2b7t h ALA 62 Ca -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2b7t h ALA 62 Cb 0.79 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2b7t h ALA 62 CO -0.04 -0.32 -0.41 1.49 0.00 0.00 0.00 179.25 179.97 2b7t h GLU 63 N 0.21 -0.79 -0.81 0.00 4.22 -0.75 -1.46 114.58 115.20 2b7t h GLU 63 Ca 0.10 0.05 0.07 0.00 0.08 0.00 0.00 59.36 59.67 2b7t h GLU 63 Cb 0.06 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 2b7t h GLU 63 CO -0.10 -0.53 0.53 -0.22 -2.18 0.00 0.00 179.01 176.52 2b7t h LYS 64 N -0.82 0.84 0.33 1.92 3.64 -1.31 -0.53 116.57 120.63 2b7t h LYS 64 Ca -0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2b7t h LYS 64 Cb 0.71 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 2b7t h LYS 64 CO -0.05 0.55 -0.39 0.00 -2.27 0.00 0.00 179.45 177.29 2b7t h ALA 65 N 1.57 -0.81 -0.30 5.00 0.00 -0.09 0.24 119.26 124.86 2b7t h ALA 65 Ca 0.35 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 2b7t h ALA 65 Cb 0.27 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2b7t h ALA 65 CO -0.13 -1.00 -0.23 -0.07 0.00 0.00 0.00 179.25 177.83 2b7t h LEU 66 N -0.76 0.57 0.50 0.00 -0.00 -1.22 -1.11 115.31 113.29 2b7t h LEU 66 Ca -0.02 -0.19 -0.01 0.00 -0.00 0.00 0.00 57.88 57.66 2b7t h LEU 66 Cb 0.70 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.18 2b7t h LEU 66 CO -0.10 0.80 -0.50 -0.09 -0.00 0.00 0.00 178.44 178.55 2b7t h ARG 67 N 0.51 -0.96 -0.29 1.13 2.43 -0.66 0.52 114.38 117.05 2b7t h ARG 67 Ca 0.08 0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 2b7t h ARG 67 Cb 0.67 0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 30.39 2b7t h ARG 67 CO 0.05 -0.64 -0.00 1.03 -1.51 0.00 0.00 179.97 178.90 2b7t h SER 68 N -1.00 -0.12 -0.97 -3.80 0.87 -0.14 -0.89 113.55 107.51 2b7t h SER 68 Ca -0.06 0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 2b7t h SER 68 Cb 0.87 0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.89 2b7t h SER 68 CO -0.06 -0.03 0.64 0.15 -0.53 0.00 0.00 176.83 177.00 2b7t h PHE 69 N 0.08 1.20 0.00 2.24 3.57 -1.14 -1.79 116.94 121.11 2b7t h PHE 69 Ca 0.14 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2b7t h PHE 69 Cb 0.18 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 38.52 2b7t h PHE 69 CO -0.22 0.72 0.00 0.28 -2.23 0.00 0.00 178.31 176.87 2b7t n VAL 70 N -4.42 0.67 0.00 1.41 0.31 0.17 -4.92 118.33 111.55 2b7t n VAL 70 Ca 0.12 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 2b7t n VAL 70 Cb 0.06 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 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 -2.11 0.00 -4.08 5.55 6.02 -0.67 -5.08 117.38 117.01 2b7t n GLN 71 Ca 0.04 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.68 2b7t n GLN 71 Cb 0.32 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.49 2b7t n GLN 71 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2b7t s PHE 72 N -2.00 3.28 -2.00 1.08 0.40 -0.41 -4.95 117.98 113.38 2b7t s PHE 72 Ca 0.00 0.16 0.14 0.00 -0.60 0.00 0.00 56.93 56.63 2b7t s PHE 72 Cb 0.00 -1.98 0.81 0.00 0.51 0.00 0.00 43.02 42.35 2b7t s PHE 72 CO 0.00 0.32 1.23 -0.35 0.70 0.00 0.00 175.22 177.12