#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 0.22 0.12 -1.23 0.00 -1.26 -3.99 105.19 99.05 2b7t n GLY 2 Ca 0.00 -1.11 -0.16 0.00 0.00 0.00 0.00 46.02 44.75 2b7t n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2b7t h PRO 3 N 0.00 0.30 0.00 1.61 0.13 -2.03 -3.38 132.00 128.63 2b7t h PRO 3 Ca 0.00 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2b7t h PRO 3 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 2b7t h PRO 3 CO 0.00 1.01 0.00 1.55 -0.23 0.00 0.00 178.00 180.33 2b7t n VAL 4 N -4.36 0.04 -1.21 1.56 3.14 -1.26 -4.93 118.33 111.32 2b7t n VAL 4 Ca -0.10 -0.07 -0.34 0.00 -2.96 0.00 0.00 64.34 60.88 2b7t n VAL 4 Cb 0.59 1.45 0.12 0.00 -1.06 0.00 0.00 33.84 34.94 2b7t n VAL 4 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2b7t s LEU 5 N -0.04 3.19 0.50 6.55 1.43 -1.26 -4.88 118.68 124.17 2b7t s LEU 5 Ca 0.00 2.36 0.31 0.00 -1.03 0.00 0.00 54.13 55.78 2b7t s LEU 5 Cb 0.00 -4.59 1.42 0.00 0.03 0.00 0.00 46.19 43.05 2b7t s LEU 5 CO 0.00 -2.55 1.80 -0.65 0.23 0.00 0.00 176.35 175.18 2b7t h PRO 6 N -0.73 0.11 -0.96 1.29 0.11 -1.99 -0.17 132.00 129.65 2b7t h PRO 6 Ca -0.47 -0.01 0.26 0.00 0.11 0.00 0.00 66.00 65.90 2b7t h PRO 6 Cb 1.30 -0.02 -0.13 0.00 0.11 0.00 0.00 31.00 32.25 2b7t h PRO 6 CO 0.47 0.07 0.50 -0.22 -0.21 0.00 0.00 178.00 178.61 2b7t h LYS 7 N 0.11 0.40 0.01 1.05 3.64 -1.91 -1.69 116.57 118.18 2b7t h LYS 7 Ca 0.56 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.92 2b7t h LYS 7 Cb 2.01 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.74 2b7t h LYS 7 CO -0.09 0.26 -0.00 -0.97 -2.27 0.00 0.00 179.45 176.38 2b7t h ASN 8 N 0.41 -0.01 0.25 4.20 -1.24 -1.15 0.99 115.58 119.04 2b7t h ASN 8 Ca 0.64 -0.35 -0.00 0.00 0.71 0.00 0.00 56.30 57.30 2b7t h ASN 8 Cb 1.32 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.36 2b7t h ASN 8 CO -0.55 0.34 -0.19 0.00 -1.29 0.00 0.00 177.43 175.74 2b7t h ALA 9 N 0.63 -0.42 0.19 1.57 0.00 -1.65 -1.36 119.26 118.21 2b7t h ALA 9 Ca -0.00 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2b7t h ALA 9 Cb 0.35 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2b7t h ALA 9 CO 0.00 -0.76 -0.26 -0.07 0.00 0.00 0.00 179.25 178.16 2b7t h LEU 10 N -0.44 -0.73 -1.41 0.00 -0.00 -1.30 -1.70 115.31 109.73 2b7t h LEU 10 Ca -0.01 0.08 0.11 0.00 -0.00 0.00 0.00 57.88 58.05 2b7t h LEU 10 Cb 0.39 0.26 -0.05 0.00 -0.00 0.00 0.00 40.66 41.26 2b7t h LEU 10 CO -0.01 -0.37 0.50 0.00 -0.00 0.00 0.00 178.44 178.57 2b7t h MET 11 N -0.51 0.62 0.14 1.13 -0.00 -0.82 0.18 114.93 115.67 2b7t h MET 11 Ca 0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 2b7t h MET 11 Cb 0.51 -0.14 -0.02 0.00 -0.00 0.00 0.00 31.60 31.94 2b7t h MET 11 CO -0.11 0.41 -0.30 0.37 -0.00 0.00 0.00 176.91 177.28 2b7t h GLN 12 N 0.64 -0.46 -0.29 -0.10 4.15 -0.35 0.68 115.11 119.38 2b7t h GLN 12 Ca 0.36 0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.71 2b7t h GLN 12 Cb 0.53 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 2b7t h GLN 12 CO -0.13 -0.31 -0.26 1.37 -1.93 0.00 0.00 178.83 177.57 2b7t h LEU 13 N -0.48 0.58 -0.47 -2.39 -0.00 -0.85 -2.08 115.31 109.62 2b7t h LEU 13 Ca -0.01 -0.21 -0.01 0.00 -0.00 0.00 0.00 57.88 57.65 2b7t h LEU 13 Cb 0.46 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.94 2b7t h LEU 13 CO -0.13 0.82 0.24 -1.13 -0.00 0.00 0.00 178.44 178.25 2b7t h ASN 14 N 0.50 0.61 0.51 0.17 -0.00 -0.63 0.98 115.58 117.72 2b7t h ASN 14 Ca 0.07 -0.11 -0.01 0.00 -0.00 0.00 0.00 56.30 56.24 2b7t h ASN 14 Cb 0.71 -0.16 -0.02 0.00 -0.00 0.00 0.00 38.32 38.86 2b7t h ASN 14 CO 0.05 0.55 -0.46 -0.33 -0.00 0.00 0.00 177.43 177.25 2b7t h GLU 15 N 0.62 -0.92 -0.98 6.67 4.39 -0.76 -2.01 114.58 121.59 2b7t h GLU 15 Ca 0.16 0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.97 2b7t h GLU 15 Cb 0.09 0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 28.89 2b7t h GLU 15 CO -0.02 -0.62 0.64 0.82 -1.16 0.00 0.00 179.01 178.67 2b7t h ILE 16 N -0.96 1.17 -2.48 3.13 2.04 -1.20 -3.37 117.51 115.84 2b7t h ILE 16 Ca -0.06 -0.42 -0.57 0.00 1.00 0.00 0.00 64.86 64.81 2b7t h ILE 16 Cb 0.83 -0.18 -0.38 0.00 -0.74 0.00 0.00 36.82 36.35 2b7t h ILE 16 CO -0.03 0.23 -0.88 -0.54 0.00 0.00 0.00 178.15 176.92 2b7t s LYS 17 N -6.04 0.66 -0.80 2.37 -0.14 0.32 -5.06 119.74 111.05 2b7t s LYS 17 Ca -0.12 -1.56 -0.08 0.00 -1.36 0.00 0.00 55.97 52.85 2b7t s LYS 17 Cb 0.19 -1.30 -0.17 0.00 -1.68 0.00 0.00 37.83 34.86 2b7t s LYS 17 CO 0.81 -1.27 3.20 -0.35 -0.76 0.00 0.00 175.35 176.99 2b7t n PRO 18 N 3.66 2.77 -2.67 -1.68 -0.04 -0.76 -4.08 135.00 132.20 2b7t n PRO 18 Ca 0.18 -1.56 -0.05 0.00 -0.04 0.00 0.00 63.50 62.03 2b7t n PRO 18 Cb 0.41 -2.38 0.02 0.00 -0.04 0.00 0.00 33.50 31.51 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 3.07 -0.18 3.93 0.55 0.00 -1.26 -5.11 105.19 106.20 2b7t n GLY 19 Ca 0.59 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.46 4.27 -0.28 0.99 1.02 -1.26 -4.88 118.68 116.08 2b7t s LEU 20 Ca 0.08 0.31 0.02 0.00 0.02 0.00 0.00 54.13 54.56 2b7t s LEU 20 Cb 0.15 -3.06 0.08 0.00 0.02 0.00 0.00 46.19 43.38 2b7t s LEU 20 CO -0.03 -0.01 0.00 -1.10 0.02 0.00 0.00 176.35 175.23 2b7t s GLN 21 N -3.30 1.48 -0.16 1.70 1.11 -0.75 -4.92 119.66 114.82 2b7t s GLN 21 Ca 0.37 -1.32 -0.08 0.00 0.01 0.00 0.00 55.36 54.34 2b7t s GLN 21 Cb -0.11 -2.70 -0.04 0.00 -1.01 0.00 0.00 33.01 29.14 2b7t s GLN 21 CO 0.29 -0.77 0.13 0.71 0.01 0.00 0.00 175.29 175.66 2b7t s TYR 22 N 1.25 3.50 0.01 0.91 1.51 -1.26 -0.68 117.35 122.60 2b7t s TYR 22 Ca 0.02 0.43 0.02 0.00 -1.01 0.00 0.00 57.07 56.53 2b7t s TYR 22 Cb -0.19 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.61 2b7t s TYR 22 CO -0.10 0.53 -0.07 1.41 -1.11 0.00 0.00 175.55 176.20 2b7t s MET 23 N -0.38 0.52 -0.12 -0.62 1.75 0.04 -4.99 119.30 115.50 2b7t s MET 23 Ca 0.12 -0.42 0.00 0.00 -1.25 0.00 0.00 55.69 54.14 2b7t s MET 23 Cb -0.12 -0.44 -0.02 0.00 2.84 0.00 0.00 34.83 37.10 2b7t s MET 23 CO 0.01 0.11 -0.13 -1.17 -0.65 0.00 0.00 175.02 173.19 2b7t s LEU 24 N -0.65 2.73 0.10 4.11 2.96 -1.26 -0.78 118.68 125.90 2b7t s LEU 24 Ca -0.02 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 2b7t s LEU 24 Cb -0.05 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 2b7t s LEU 24 CO 0.00 0.18 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.36 2b7t s LEU 25 N 0.24 2.43 0.12 -0.68 2.01 0.41 -5.01 118.68 118.19 2b7t s LEU 25 Ca -0.09 -0.85 -0.29 0.00 0.01 0.00 0.00 54.13 52.91 2b7t s LEU 25 Cb -0.15 -0.30 -0.06 0.00 0.01 0.00 0.00 46.19 45.68 2b7t s LEU 25 CO 0.05 -0.28 0.93 -0.94 1.01 0.00 0.00 176.35 177.12 2b7t s SER 26 N -2.59 7.48 0.27 2.29 1.04 -1.26 -1.72 113.70 119.20 2b7t s SER 26 Ca 0.08 1.76 -0.31 0.00 0.48 0.00 0.00 55.95 57.96 2b7t s SER 26 Cb -0.02 -2.57 -0.13 0.00 0.10 0.00 0.00 66.02 63.40 2b7t s SER 26 CO -0.00 -0.03 1.43 1.67 0.98 0.00 0.00 173.24 177.29 2b7t n GLN 27 N 2.63 2.19 -0.95 4.02 0.00 -1.26 -4.64 117.38 119.38 2b7t n GLN 27 Ca 0.01 0.78 0.00 0.00 -0.00 0.00 0.00 57.00 57.79 2b7t n GLN 27 Cb 0.49 -2.45 0.00 0.00 0.00 0.00 0.00 30.24 28.28 2b7t n GLN 27 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 2b7t n THR 28 N 1.74 0.00 -0.39 1.69 5.66 -0.05 -4.98 114.28 117.96 2b7t n THR 28 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 2b7t n THR 28 Cb 0.33 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.11 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 -3.06 3.83 1.09 0.00 -1.26 -0.54 105.19 105.24 2b7t n GLY 29 Ca 0.00 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 2b7t n GLY 29 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2b7t s PRO 30 N -0.81 2.83 0.64 1.61 0.02 -1.26 -4.80 135.00 133.25 2b7t s PRO 30 Ca 0.00 0.83 0.36 0.00 0.02 0.00 0.00 61.00 62.21 2b7t s PRO 30 Cb 0.00 -1.99 2.00 0.00 0.02 0.00 0.00 34.50 34.53 2b7t s PRO 30 CO 0.00 -1.14 2.19 0.28 -0.33 0.00 0.00 177.00 178.00 2b7t h VAL 31 N -0.74 0.17 -0.02 3.83 2.07 -2.01 -1.98 116.25 117.56 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 1.22 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2b7t h VAL 31 CO 0.58 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 178.01 2b7t n HIS 32 N -3.29 0.00 -2.76 1.57 -0.00 -1.26 -4.59 115.22 104.90 2b7t n HIS 32 Ca -0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.61 2b7t n HIS 32 Cb 0.21 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.26 2b7t n HIS 32 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2b7t n ALA 33 N 0.64 1.86 -1.55 1.59 0.00 -0.80 -5.13 120.51 117.12 2b7t n ALA 33 Ca 0.10 -2.27 -0.55 0.00 0.00 0.00 0.00 53.44 50.72 2b7t n ALA 33 Cb 0.46 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.15 0.97 -3.71 0.00 -0.02 -0.86 -4.14 135.00 127.07 2b7t n PRO 34 Ca 0.06 0.32 -0.37 0.00 -2.02 0.00 0.00 63.50 61.49 2b7t n PRO 34 Cb 0.79 -2.15 -0.12 0.00 -0.02 0.00 0.00 33.50 32.00 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 5.25 3.70 0.20 2.45 1.98 0.29 -2.05 118.68 130.50 2b7t s LEU 35 Ca 1.05 -0.31 0.08 0.00 -2.89 0.00 0.00 54.13 52.07 2b7t s LEU 35 Cb -1.05 -1.96 -0.04 0.00 0.66 0.00 0.00 46.19 43.80 2b7t s LEU 35 CO 0.60 -0.09 -0.01 -0.36 -1.89 0.00 0.00 176.35 174.60 2b7t s PHE 36 N 1.62 2.78 -0.05 5.38 0.40 -0.40 -0.87 117.98 126.84 2b7t s PHE 36 Ca 0.06 -0.17 0.05 0.00 -0.60 0.00 0.00 56.93 56.27 2b7t s PHE 36 Cb -0.16 -1.32 -0.01 0.00 0.51 0.00 0.00 43.02 42.05 2b7t s PHE 36 CO 0.05 0.54 -0.22 0.14 0.70 0.00 0.00 175.22 176.43 2b7t s VAL 37 N -1.89 1.80 -0.06 -0.44 -7.23 -0.70 -1.18 120.40 110.70 2b7t s VAL 37 Ca 0.28 -0.93 0.04 0.00 -1.81 0.00 0.00 61.98 59.57 2b7t s VAL 37 Cb -0.08 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.30 2b7t s VAL 37 CO 0.19 0.51 -0.19 -0.04 -0.31 0.00 0.00 175.10 175.25 2b7t s MET 38 N -0.09 2.64 -0.29 4.82 -1.94 -0.32 -0.44 119.30 123.68 2b7t s MET 38 Ca -0.03 -0.79 -0.09 0.00 -1.71 0.00 0.00 55.69 53.06 2b7t s MET 38 Cb -0.13 -2.32 -0.02 0.00 2.01 0.00 0.00 34.83 34.37 2b7t s MET 38 CO 0.03 0.46 0.14 -1.54 -0.01 0.00 0.00 175.02 174.10 2b7t s SER 39 N -0.32 5.53 -0.13 3.03 1.04 0.04 -1.08 113.70 121.81 2b7t s SER 39 Ca 0.02 -0.33 -0.00 0.00 0.48 0.00 0.00 55.95 56.12 2b7t s SER 39 Cb -0.13 -2.00 -0.02 0.00 0.10 0.00 0.00 66.02 63.97 2b7t s SER 39 CO 0.02 -0.12 -0.12 0.54 0.98 0.00 0.00 173.24 174.55 2b7t s VAL 40 N 1.65 3.18 -0.22 5.02 0.11 -0.04 -0.78 120.40 129.32 2b7t s VAL 40 Ca 0.06 -0.62 -0.08 0.00 -2.93 0.00 0.00 61.98 58.41 2b7t s VAL 40 Cb -0.16 -2.34 -0.04 0.00 -1.53 0.00 0.00 36.38 32.31 2b7t s VAL 40 CO 0.06 0.52 0.07 -0.70 -3.33 0.00 0.00 175.10 171.73 2b7t s GLU 41 N 0.27 3.84 -0.00 1.54 -6.30 0.15 -0.53 118.70 117.66 2b7t s GLU 41 Ca -0.09 -0.40 0.00 0.00 -2.50 0.00 0.00 54.97 51.99 2b7t s GLU 41 Cb -0.15 -3.29 -0.00 0.00 0.00 0.00 0.00 34.13 30.68 2b7t s GLU 41 CO 0.05 0.05 0.00 1.55 0.02 0.00 0.00 175.26 176.93 2b7t n VAL 42 N 4.23 0.00 -0.67 3.70 3.14 -0.91 -1.81 118.33 126.02 2b7t n VAL 42 Ca -0.16 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 60.99 2b7t n VAL 42 Cb 0.52 0.73 0.00 0.00 -1.06 0.00 0.00 33.84 34.03 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 -1.27 0.00 0.00 6.55 5.15 -1.26 -4.97 115.26 119.45 2b7t n ASN 43 Ca -0.00 -0.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 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 -0.62 3.21 8.20 0.00 -1.26 -5.14 105.19 109.58 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 0.41 -0.13 1.61 0.00 -1.26 -5.17 119.66 115.13 2b7t s GLN 45 Ca 0.00 0.36 -0.05 0.00 -0.00 0.00 0.00 55.36 55.67 2b7t s GLN 45 Cb 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 33.01 33.17 2b7t s GLN 45 CO 0.00 -0.06 0.05 0.54 0.00 0.00 0.00 175.29 175.82 2b7t s VAL 46 N -0.03 4.69 -0.18 3.63 0.11 -1.26 -2.14 120.40 125.21 2b7t s VAL 46 Ca -0.02 -0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 58.93 2b7t s VAL 46 Cb -0.03 -3.04 0.00 0.00 -1.53 0.00 0.00 36.38 31.78 2b7t s VAL 46 CO 0.01 0.55 -0.13 -0.36 -3.33 0.00 0.00 175.10 171.84 2b7t s PHE 47 N -0.36 2.85 -0.19 1.54 0.40 0.31 -4.85 117.98 117.67 2b7t s PHE 47 Ca 0.09 -1.17 -0.07 0.00 -0.60 0.00 0.00 56.93 55.18 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 -0.59 0.06 -1.21 0.70 0.00 0.00 175.22 174.20 2b7t s GLU 48 N 1.17 3.93 -0.01 0.44 2.02 -1.26 -0.86 118.70 124.13 2b7t s GLU 48 Ca 0.02 -0.37 0.02 0.00 0.02 0.00 0.00 54.97 54.66 2b7t s GLU 48 Cb -0.14 -3.21 -0.00 0.00 0.10 0.00 0.00 34.13 30.88 2b7t s GLU 48 CO -0.05 0.23 -0.06 0.20 0.02 0.00 0.00 175.26 175.59 2b7t s GLY 49 N 0.49 0.32 -0.16 -1.39 0.00 -0.24 -4.72 107.32 101.61 2b7t s GLY 49 Ca 0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 44.72 44.42 2b7t s GLY 49 CO 0.01 -0.20 0.04 -1.35 0.00 0.00 0.00 173.10 171.61 2b7t s SER 50 N -0.10 5.50 -0.02 1.64 1.04 -1.26 -1.17 113.70 119.33 2b7t s SER 50 Ca 0.02 0.08 -0.01 0.00 0.48 0.00 0.00 55.95 56.52 2b7t s SER 50 Cb -0.03 -1.89 0.01 0.00 0.10 0.00 0.00 66.02 64.21 2b7t s SER 50 CO -0.00 0.21 0.03 -0.83 0.98 0.00 0.00 173.24 173.63 2b7t s GLY 51 N 0.15 0.01 0.00 7.32 0.00 -0.32 -4.55 107.32 109.93 2b7t s GLY 51 Ca 0.04 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.93 2b7t s GLY 51 CO 0.01 0.29 0.70 -1.55 0.00 0.00 0.00 173.10 172.54 2b7t n PRO 52 N 3.43 0.36 0.00 2.90 -0.04 -1.26 -1.28 135.00 139.12 2b7t n PRO 52 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2b7t n PRO 52 Cb 0.57 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 2b7t n PRO 52 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2b7t n THR 53 N 1.74 0.00 0.18 0.52 5.66 -0.87 -4.36 114.28 117.15 2b7t n THR 53 Ca 0.00 0.00 0.16 0.00 -3.05 0.00 0.00 64.05 61.16 2b7t n THR 53 Cb 0.18 0.00 0.78 0.00 -1.55 0.00 0.00 70.33 69.74 2b7t n THR 53 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 2b7t h LYS 54 N 0.00 0.00 -0.22 1.09 2.10 -1.85 -0.86 116.57 116.83 2b7t h LYS 54 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.52 2b7t h LYS 54 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2b7t h LYS 54 CO 0.00 0.00 -0.40 0.87 -2.00 0.00 0.00 179.45 177.92 2b7t h LYS 55 N 0.00 0.50 0.01 0.07 6.56 -1.97 -1.13 116.57 120.60 2b7t h LYS 55 Ca 0.10 -0.25 -0.21 0.00 -1.06 0.00 0.00 60.65 59.23 2b7t h LYS 55 Cb 0.47 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.13 2b7t h LYS 55 CO -0.00 0.81 -0.92 -0.22 -2.06 0.00 0.00 179.45 177.06 2b7t h LYS 56 N 0.41 0.28 0.59 3.15 3.64 -1.56 -2.69 116.57 120.39 2b7t h LYS 56 Ca 0.04 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.08 2b7t h LYS 56 Cb 0.88 0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.80 2b7t h LYS 56 CO 0.07 1.03 -0.28 0.00 -2.27 0.00 0.00 179.45 178.00 2b7t h ALA 57 N 0.86 -0.79 -1.01 5.00 0.00 -0.95 0.12 119.26 122.49 2b7t h ALA 57 Ca -0.06 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.74 2b7t h ALA 57 Cb 1.56 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 19.59 2b7t h ALA 57 CO 0.15 -0.91 0.65 1.57 0.00 0.00 0.00 179.25 180.71 2b7t h LYS 58 N -0.88 1.09 -0.01 0.00 5.09 -1.35 -0.38 116.57 120.12 2b7t h LYS 58 Ca -0.08 -0.07 0.03 0.00 0.09 0.00 0.00 60.65 60.62 2b7t h LYS 58 Cb 0.64 -0.25 -0.04 0.00 0.10 0.00 0.00 32.23 32.68 2b7t h LYS 58 CO 0.13 0.72 -0.19 1.25 -2.09 0.00 0.00 179.45 179.27 2b7t h LEU 59 N 1.12 -0.57 -0.21 7.07 6.46 -1.32 -0.41 115.31 127.45 2b7t h LEU 59 Ca 0.45 0.08 0.04 0.00 -0.12 0.00 0.00 57.88 58.34 2b7t h LEU 59 Cb 0.27 0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.40 2b7t h LEU 59 CO -0.20 -0.26 -0.07 -0.74 -0.62 0.00 0.00 178.44 176.55 2b7t h HIS 60 N -0.31 -0.17 0.41 1.25 2.76 -0.06 0.18 115.15 119.22 2b7t h HIS 60 Ca 0.06 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2b7t h HIS 60 Cb 0.39 0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.43 2b7t h HIS 60 CO -0.25 -0.12 -0.45 0.00 -1.30 0.00 0.00 177.93 175.81 2b7t h ALA 61 N 1.16 -1.09 -0.63 5.26 0.00 -1.00 -1.76 119.26 121.19 2b7t h ALA 61 Ca 0.11 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2b7t h ALA 61 Cb 0.20 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2b7t h ALA 61 CO -0.24 -1.13 0.19 0.00 0.00 0.00 0.00 179.25 178.07 2b7t h ALA 62 N -0.99 0.83 0.90 0.00 0.00 -0.89 0.25 119.26 119.35 2b7t h ALA 62 Ca -0.05 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2b7t h ALA 62 Cb 0.76 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.31 2b7t h ALA 62 CO -0.07 0.51 -0.43 1.49 0.00 0.00 0.00 179.25 180.75 2b7t h GLU 63 N 0.92 -1.16 -0.86 0.00 4.22 -0.65 -1.93 114.58 115.12 2b7t h GLU 63 Ca 0.20 0.08 0.11 0.00 0.08 0.00 0.00 59.36 59.83 2b7t h GLU 63 Cb 0.31 0.26 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 2b7t h GLU 63 CO -0.00 -0.77 0.56 -0.22 -2.18 0.00 0.00 179.01 176.39 2b7t h LYS 64 N -1.31 0.76 0.52 1.92 3.64 -1.36 -1.55 116.57 119.20 2b7t h LYS 64 Ca -0.12 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.19 2b7t h LYS 64 Cb 0.92 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 2b7t h LYS 64 CO 0.20 0.50 -0.49 0.00 -2.27 0.00 0.00 179.45 177.39 2b7t h ALA 65 N 1.58 -1.16 -0.21 5.00 0.00 0.11 0.34 119.26 124.91 2b7t h ALA 65 Ca 0.41 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 2b7t h ALA 65 Cb 0.51 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2b7t h ALA 65 CO -0.17 -1.18 -0.48 1.25 0.00 0.00 0.00 179.25 178.67 2b7t h LEU 66 N -1.01 0.61 0.49 0.00 6.46 -1.35 -1.28 115.31 119.23 2b7t h LEU 66 Ca -0.07 -0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 57.38 2b7t h LEU 66 Cb 0.87 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.60 2b7t h LEU 66 CO -0.04 0.99 -0.47 -0.09 -0.62 0.00 0.00 178.44 178.20 2b7t h ARG 67 N 0.45 -0.92 -0.95 1.25 2.43 -1.06 -0.79 114.38 114.79 2b7t h ARG 67 Ca 0.02 0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.35 2b7t h ARG 67 Cb 1.00 0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 30.68 2b7t h ARG 67 CO 0.09 -0.61 0.60 1.03 -1.51 0.00 0.00 179.97 179.56 2b7t h SER 68 N -0.96 0.91 -0.03 -3.80 0.87 0.33 -1.56 113.55 109.31 2b7t h SER 68 Ca -0.06 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 2b7t h SER 68 Cb 0.82 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 2b7t h SER 68 CO -0.05 0.53 -0.02 0.15 -0.53 0.00 0.00 176.83 176.91 2b7t h PHE 69 N 1.01 0.15 -0.20 2.24 3.57 -1.09 -0.66 116.94 121.97 2b7t h PHE 69 Ca 0.44 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.94 2b7t h PHE 69 Cb 0.33 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.02 2b7t h PHE 69 CO -0.02 0.18 0.00 0.28 -2.23 0.00 0.00 178.31 176.52 2b7t n VAL 70 N -4.42 0.72 -0.95 1.41 0.31 -0.31 -4.93 118.33 110.15 2b7t n VAL 70 Ca -0.01 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 2b7t n VAL 70 Cb 0.16 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 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 0.19 -1.70 -2.67 5.55 10.64 -0.25 -4.98 117.38 124.17 2b7t n GLN 71 Ca 0.08 0.42 -0.43 0.00 -1.83 0.00 0.00 57.00 55.25 2b7t n GLN 71 Cb 0.45 -4.83 -0.03 0.00 -0.86 0.00 0.00 30.24 24.98 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 -1.07 2.80 -1.92 2.61 0.40 -1.07 -4.96 117.98 114.77 2b7t s PHE 72 Ca 0.00 0.54 0.00 0.00 -0.60 0.00 0.00 56.93 56.87 2b7t s PHE 72 Cb 0.00 -4.32 0.00 0.00 0.51 0.00 0.00 43.02 39.21 2b7t s PHE 72 CO 0.00 -1.29 0.48 -0.35 0.70 0.00 0.00 175.22 174.76