#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 -0.25 0.09 0.55 0.00 -1.26 -5.07 107.32 101.39 2b7t s GLY 2 Ca 0.00 0.18 0.22 0.00 0.00 0.00 0.00 44.72 45.12 2b7t s GLY 2 CO 0.00 0.03 1.68 -1.55 0.00 0.00 0.00 173.10 173.26 2b7t n PRO 3 N -0.45 0.09 0.30 2.90 -0.04 -1.26 -3.89 135.00 132.64 2b7t n PRO 3 Ca -0.06 0.23 0.16 0.00 -0.04 0.00 0.00 63.50 63.79 2b7t n PRO 3 Cb 0.61 -1.63 0.92 0.00 -0.04 0.00 0.00 33.50 33.35 2b7t n PRO 3 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2b7t h VAL 4 N 0.00 0.38 -2.28 0.52 3.04 -2.02 -3.46 116.25 112.43 2b7t h VAL 4 Ca 0.00 -0.21 -0.57 0.00 -1.01 0.00 0.00 66.70 64.91 2b7t h VAL 4 Cb 0.41 1.15 -0.10 0.00 -2.01 0.00 0.00 31.29 30.73 2b7t h VAL 4 CO 0.00 0.04 -0.66 -1.48 -1.01 0.00 0.00 177.57 174.45 2b7t s LEU 5 N -7.08 3.11 0.00 3.16 0.05 -1.25 -1.22 118.68 115.45 2b7t s LEU 5 Ca -0.04 -0.68 0.16 0.00 0.05 0.00 0.00 54.13 53.62 2b7t s LEU 5 Cb 0.14 -1.64 0.84 0.00 -2.05 0.00 0.00 46.19 43.47 2b7t s LEU 5 CO 0.53 0.02 1.43 -0.81 -0.55 0.00 0.00 176.35 176.96 2b7t n PRO 6 N -0.77 0.29 -0.33 1.48 -0.04 -1.26 -4.85 135.00 129.52 2b7t n PRO 6 Ca -0.07 0.10 0.17 0.00 -0.04 0.00 0.00 63.50 63.67 2b7t n PRO 6 Cb 0.59 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.92 2b7t n PRO 6 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2b7t h LYS 7 N 0.00 0.49 -0.07 0.54 2.10 -1.88 -1.93 116.57 115.81 2b7t h LYS 7 Ca 0.00 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 2b7t h LYS 7 Cb 0.11 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2b7t h LYS 7 CO 0.00 0.32 0.02 -0.97 -2.00 0.00 0.00 179.45 176.82 2b7t h ASN 8 N 0.50 0.10 -0.00 7.07 -0.00 -1.49 0.22 115.58 121.98 2b7t h ASN 8 Ca 0.63 -0.21 -0.00 0.00 -0.00 0.00 0.00 56.30 56.72 2b7t h ASN 8 Cb 1.22 -0.03 -0.00 0.00 -0.00 0.00 0.00 38.32 39.52 2b7t h ASN 8 CO -0.51 0.28 0.00 0.00 -0.00 0.00 0.00 177.43 177.21 2b7t h ALA 9 N 0.82 0.01 -0.14 1.57 0.00 -1.74 -1.74 119.26 118.04 2b7t h ALA 9 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2b7t h ALA 9 Cb 0.22 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2b7t h ALA 9 CO -0.00 -0.47 0.07 -0.07 0.00 0.00 0.00 179.25 178.78 2b7t h LEU 10 N -0.04 0.18 -1.01 0.00 -0.00 -1.20 -1.27 115.31 111.98 2b7t h LEU 10 Ca 0.00 -0.11 0.09 0.00 -0.00 0.00 0.00 57.88 57.86 2b7t h LEU 10 Cb 0.05 -0.05 -0.08 0.00 -0.00 0.00 0.00 40.66 40.58 2b7t h LEU 10 CO -0.00 0.24 0.64 0.00 -0.00 0.00 0.00 178.44 179.33 2b7t h MET 11 N 0.11 1.06 0.14 1.13 -0.00 -0.64 0.68 114.93 117.42 2b7t h MET 11 Ca 0.05 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2b7t h MET 11 Cb 0.11 -0.24 -0.02 0.00 -0.00 0.00 0.00 31.60 31.45 2b7t h MET 11 CO -0.01 0.70 -0.26 0.37 -0.00 0.00 0.00 176.91 177.72 2b7t h GLN 12 N 1.09 -0.42 -0.02 -0.10 4.15 -0.30 -0.54 115.11 118.98 2b7t h GLN 12 Ca 0.47 0.03 -0.21 0.00 0.77 0.00 0.00 58.65 59.70 2b7t h GLN 12 Cb 0.32 0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 2b7t h GLN 12 CO -0.22 -0.28 -0.87 1.37 -1.93 0.00 0.00 178.83 176.91 2b7t h LEU 13 N -0.43 0.49 -1.86 -2.39 -0.00 -1.29 -1.92 115.31 107.90 2b7t h LEU 13 Ca -0.02 -0.37 -0.02 0.00 -0.00 0.00 0.00 57.88 57.47 2b7t h LEU 13 Cb 0.40 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2b7t h LEU 13 CO -0.10 1.15 -0.12 0.78 -0.00 0.00 0.00 178.44 180.16 2b7t h ASN 14 N 0.23 0.00 0.57 0.17 2.35 -0.93 0.18 115.58 118.16 2b7t h ASN 14 Ca -0.06 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 2b7t h ASN 14 Cb 1.48 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.86 2b7t h ASN 14 CO 0.15 0.12 -0.28 -0.33 -1.65 0.00 0.00 177.43 175.44 2b7t h GLU 15 N 0.00 -0.74 -0.95 0.81 5.08 -0.91 -3.10 114.58 114.77 2b7t h GLU 15 Ca -0.00 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2b7t h GLU 15 Cb 0.23 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 2b7t h GLU 15 CO 0.02 -0.50 0.62 0.82 -1.00 0.00 0.00 179.01 178.97 2b7t h ILE 16 N -1.10 1.18 -2.57 3.13 2.04 -1.12 -3.35 117.51 115.72 2b7t h ILE 16 Ca -0.08 -0.42 -0.60 0.00 1.00 0.00 0.00 64.86 64.77 2b7t h ILE 16 Cb 0.59 -0.14 -0.39 0.00 -0.74 0.00 0.00 36.82 36.14 2b7t h ILE 16 CO 0.13 0.22 -0.87 -0.54 0.00 0.00 0.00 178.15 177.09 2b7t s LYS 17 N -6.10 1.23 0.00 2.37 -0.14 0.61 -5.05 119.74 112.66 2b7t s LYS 17 Ca -0.13 -2.30 -0.03 0.00 -1.36 0.00 0.00 55.97 52.14 2b7t s LYS 17 Cb 0.18 -1.88 -0.15 0.00 -1.68 0.00 0.00 37.83 34.30 2b7t s LYS 17 CO 0.81 -1.34 2.71 -0.35 -0.76 0.00 0.00 175.35 176.41 2b7t n PRO 18 N 2.79 1.44 -1.06 -1.68 -0.04 -1.17 -3.55 135.00 131.73 2b7t n PRO 18 Ca 0.25 -0.57 -0.04 0.00 -0.04 0.00 0.00 63.50 63.10 2b7t n PRO 18 Cb 0.44 -1.63 -0.03 0.00 -0.04 0.00 0.00 33.50 32.23 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 2.22 0.33 3.63 0.55 0.00 -1.26 -5.09 105.19 105.57 2b7t n GLY 19 Ca 0.24 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.41 1.90 -0.11 0.99 1.02 -1.23 -4.97 118.68 115.87 2b7t s LEU 20 Ca 0.01 1.65 0.02 0.00 0.02 0.00 0.00 54.13 55.83 2b7t s LEU 20 Cb 0.04 -3.88 0.01 0.00 0.02 0.00 0.00 46.19 42.39 2b7t s LEU 20 CO -0.01 -3.28 -0.16 -1.58 0.02 0.00 0.00 176.35 171.33 2b7t s GLN 21 N -4.71 2.33 -0.13 1.70 -0.44 -0.83 -4.95 119.66 112.62 2b7t s GLN 21 Ca 0.66 -0.60 -0.05 0.00 -2.50 0.00 0.00 55.36 52.86 2b7t s GLN 21 Cb -0.21 -1.95 -0.04 0.00 -1.64 0.00 0.00 33.01 29.17 2b7t s GLN 21 CO 0.60 -0.04 0.05 0.71 0.50 0.00 0.00 175.29 177.10 2b7t s TYR 22 N 0.92 3.27 -0.03 1.67 1.51 -1.26 -0.22 117.35 123.21 2b7t s TYR 22 Ca -0.08 0.17 0.03 0.00 -1.01 0.00 0.00 57.07 56.18 2b7t s TYR 22 Cb -0.15 -1.94 0.00 0.00 -0.11 0.00 0.00 41.96 39.76 2b7t s TYR 22 CO -0.01 0.36 -0.10 1.41 -1.11 0.00 0.00 175.55 176.10 2b7t s MET 23 N -0.34 1.09 -0.15 -0.62 1.75 -0.15 -4.99 119.30 115.89 2b7t s MET 23 Ca 0.08 -0.36 -0.07 0.00 -1.25 0.00 0.00 55.69 54.10 2b7t s MET 23 Cb -0.12 -1.01 -0.04 0.00 2.84 0.00 0.00 34.83 36.50 2b7t s MET 23 CO 0.02 0.14 0.09 -1.17 -0.65 0.00 0.00 175.02 173.45 2b7t s LEU 24 N 0.14 4.02 -0.19 4.11 2.96 -1.26 -0.94 118.68 127.52 2b7t s LEU 24 Ca -0.03 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 2b7t s LEU 24 Cb -0.09 -1.99 0.03 0.00 0.50 0.00 0.00 46.19 44.64 2b7t s LEU 24 CO 0.01 0.29 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.40 2b7t s LEU 25 N -0.35 2.36 -0.01 -0.68 2.01 0.82 -5.00 118.68 117.84 2b7t s LEU 25 Ca 0.10 -0.80 0.01 0.00 0.01 0.00 0.00 54.13 53.45 2b7t s LEU 25 Cb -0.12 -1.45 0.01 0.00 0.01 0.00 0.00 46.19 44.64 2b7t s LEU 25 CO 0.01 -0.05 -0.03 -0.94 1.01 0.00 0.00 176.35 176.35 2b7t s SER 26 N 1.28 0.47 -0.27 2.29 1.04 -1.26 -0.84 113.70 116.40 2b7t s SER 26 Ca 0.02 -0.06 -0.24 0.00 0.48 0.00 0.00 55.95 56.14 2b7t s SER 26 Cb -0.15 -0.13 0.09 0.00 0.10 0.00 0.00 66.02 65.94 2b7t s SER 26 CO -0.11 -0.00 0.82 -1.58 0.98 0.00 0.00 173.24 173.35 2b7t s GLN 27 N 0.28 0.72 0.00 4.02 -0.44 -1.26 -5.09 119.66 117.89 2b7t s GLN 27 Ca -0.03 0.88 0.00 0.00 -2.50 0.00 0.00 55.36 53.71 2b7t s GLN 27 Cb -0.06 0.34 0.00 0.00 -1.64 0.00 0.00 33.01 31.65 2b7t s GLN 27 CO -0.01 -0.09 0.00 -2.37 0.50 0.00 0.00 175.29 173.32 2b7t n THR 28 N 2.66 0.00 0.00 -0.34 5.66 -0.30 -4.92 114.28 117.03 2b7t n THR 28 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 2b7t n THR 28 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 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 2.13 1.12 3.09 1.09 0.00 -1.26 -0.26 105.19 111.11 2b7t n GLY 29 Ca 0.00 -2.13 -0.24 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.47 -1.37 0.25 1.61 -0.05 -1.26 -4.95 135.00 127.75 2b7t n PRO 30 Ca 0.00 -1.63 0.13 0.00 -0.05 0.00 0.00 63.50 61.94 2b7t n PRO 30 Cb 0.00 -1.16 0.67 0.00 -0.05 0.00 0.00 33.50 32.96 2b7t n PRO 30 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 175.50 175.06 2b7t h VAL 31 N -1.79 0.00 0.00 0.52 -1.51 -2.05 -3.26 116.25 108.15 2b7t h VAL 31 Ca -0.35 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 2b7t h VAL 31 Cb 0.98 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.68 2b7t h VAL 31 CO 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.58 2b7t n HIS 32 N -2.53 0.00 -2.92 5.19 1.44 -1.26 -4.95 115.22 110.19 2b7t n HIS 32 Ca -0.02 -0.04 -0.13 0.00 -2.01 0.00 0.00 57.72 55.52 2b7t n HIS 32 Cb 0.28 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.38 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 -0.04 -0.15 -1.65 1.59 0.00 -1.23 -5.13 120.51 113.91 2b7t n ALA 33 Ca 0.00 -2.00 -0.54 0.00 0.00 0.00 0.00 53.44 50.91 2b7t n ALA 33 Cb 0.15 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.36 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 1.88 1.43 -3.85 0.00 -0.02 -1.26 -4.07 135.00 129.11 2b7t n PRO 34 Ca 0.15 0.50 -0.36 0.00 -2.02 0.00 0.00 63.50 61.78 2b7t n PRO 34 Cb 0.58 -2.33 -0.13 0.00 -0.02 0.00 0.00 33.50 31.59 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 4.51 3.37 0.09 2.45 1.98 0.64 -3.22 118.68 128.50 2b7t s LEU 35 Ca 0.99 -0.61 0.06 0.00 -2.89 0.00 0.00 54.13 51.68 2b7t s LEU 35 Cb -0.92 -1.79 -0.04 0.00 0.66 0.00 0.00 46.19 44.10 2b7t s LEU 35 CO 0.58 -0.11 -0.08 -0.36 -1.89 0.00 0.00 176.35 174.50 2b7t s PHE 36 N 1.46 2.81 -0.01 5.38 0.40 -0.68 -1.15 117.98 126.19 2b7t s PHE 36 Ca 0.03 -0.11 0.05 0.00 -0.60 0.00 0.00 56.93 56.29 2b7t s PHE 36 Cb -0.16 -1.48 -0.03 0.00 0.51 0.00 0.00 43.02 41.86 2b7t s PHE 36 CO -0.01 0.43 -0.14 0.54 0.70 0.00 0.00 175.22 176.74 2b7t s VAL 37 N -1.20 3.12 -0.06 -0.44 0.11 -0.02 -0.71 120.40 121.20 2b7t s VAL 37 Ca 0.22 -0.87 0.05 0.00 -2.93 0.00 0.00 61.98 58.45 2b7t s VAL 37 Cb -0.11 -2.28 -0.02 0.00 -1.53 0.00 0.00 36.38 32.44 2b7t s VAL 37 CO 0.14 0.47 -0.21 -0.04 -3.33 0.00 0.00 175.10 172.13 2b7t s MET 38 N -1.10 2.64 -0.27 1.54 -1.94 -0.15 -0.13 119.30 119.90 2b7t s MET 38 Ca 0.14 -0.83 -0.13 0.00 -1.71 0.00 0.00 55.69 53.16 2b7t s MET 38 Cb -0.11 -2.27 -0.04 0.00 2.01 0.00 0.00 34.83 34.42 2b7t s MET 38 CO 0.04 0.42 0.27 -1.54 -0.01 0.00 0.00 175.02 174.20 2b7t s SER 39 N -0.24 6.15 -0.13 3.03 1.04 -0.12 -1.39 113.70 122.05 2b7t s SER 39 Ca -0.01 0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.59 2b7t s SER 39 Cb -0.13 -2.16 -0.01 0.00 0.10 0.00 0.00 66.02 63.82 2b7t s SER 39 CO 0.03 -0.09 -0.17 0.54 0.98 0.00 0.00 173.24 174.53 2b7t s VAL 40 N 1.77 2.60 -0.24 5.02 0.11 0.13 -0.98 120.40 128.82 2b7t s VAL 40 Ca 0.11 -0.81 -0.08 0.00 -2.93 0.00 0.00 61.98 58.27 2b7t s VAL 40 Cb -0.16 -2.07 -0.04 0.00 -1.53 0.00 0.00 36.38 32.59 2b7t s VAL 40 CO 0.10 0.53 0.09 -0.70 -3.33 0.00 0.00 175.10 171.79 2b7t s GLU 41 N 0.50 3.81 -0.00 1.54 -6.30 0.70 -0.44 118.70 118.50 2b7t s GLU 41 Ca -0.12 -0.40 0.01 0.00 -2.50 0.00 0.00 54.97 51.96 2b7t s GLU 41 Cb -0.16 -3.37 -0.02 0.00 0.00 0.00 0.00 34.13 30.58 2b7t s GLU 41 CO 0.05 -0.06 0.04 1.55 0.02 0.00 0.00 175.26 176.86 2b7t n VAL 42 N 4.56 0.00 -0.84 3.70 3.14 -0.90 -1.96 118.33 126.02 2b7t n VAL 42 Ca -0.16 -0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 2b7t n VAL 42 Cb 0.52 0.64 0.00 0.00 -1.06 0.00 0.00 33.84 33.94 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 -1.38 0.00 0.00 6.55 5.15 -1.26 -4.97 115.26 119.35 2b7t n ASN 43 Ca -0.00 -0.22 0.00 0.00 -0.60 0.00 0.00 54.58 53.76 2b7t n ASN 43 Cb 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 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 -0.40 3.12 8.20 0.00 -1.26 -5.14 105.19 109.72 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 0.28 -0.12 1.61 0.00 -1.26 -5.16 119.66 115.01 2b7t s GLN 45 Ca 0.00 0.42 -0.11 0.00 -0.00 0.00 0.00 55.36 55.67 2b7t s GLN 45 Cb 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 33.01 33.03 2b7t s GLN 45 CO 0.00 -0.08 0.24 0.14 0.00 0.00 0.00 175.29 175.60 2b7t s VAL 46 N 0.49 5.33 -0.19 3.63 -7.23 -1.26 -2.12 120.40 119.05 2b7t s VAL 46 Ca -0.03 0.44 -0.03 0.00 -1.81 0.00 0.00 61.98 60.55 2b7t s VAL 46 Cb -0.04 -3.55 -0.01 0.00 0.56 0.00 0.00 36.38 33.34 2b7t s VAL 46 CO -0.03 0.51 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.86 2b7t s PHE 47 N -0.36 2.94 -0.23 2.82 0.40 0.41 -4.82 117.98 119.14 2b7t s PHE 47 Ca 0.16 -0.78 -0.08 0.00 -0.60 0.00 0.00 56.93 55.63 2b7t s PHE 47 Cb -0.13 -2.04 -0.04 0.00 0.51 0.00 0.00 43.02 41.33 2b7t s PHE 47 CO 0.05 -0.41 0.09 -1.21 0.70 0.00 0.00 175.22 174.44 2b7t s GLU 48 N 1.11 3.80 -0.03 0.44 2.02 -1.26 -0.69 118.70 124.09 2b7t s GLU 48 Ca 0.01 -0.41 0.03 0.00 0.02 0.00 0.00 54.97 54.62 2b7t s GLU 48 Cb -0.15 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.75 2b7t s GLU 48 CO -0.01 -0.03 -0.10 0.20 0.02 0.00 0.00 175.26 175.34 2b7t s GLY 49 N 1.22 0.58 -0.13 -1.39 0.00 -0.48 -4.79 107.32 102.32 2b7t s GLY 49 Ca 0.05 -0.37 -0.05 0.00 0.00 0.00 0.00 44.72 44.35 2b7t s GLY 49 CO 0.04 -0.10 0.04 -1.35 0.00 0.00 0.00 173.10 171.73 2b7t s SER 50 N 0.20 5.52 0.01 1.64 1.04 -1.26 -0.98 113.70 119.87 2b7t s SER 50 Ca -0.04 0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.56 2b7t s SER 50 Cb -0.09 -1.78 -0.01 0.00 0.10 0.00 0.00 66.02 64.24 2b7t s SER 50 CO 0.01 0.29 -0.07 -0.83 0.98 0.00 0.00 173.24 173.61 2b7t s GLY 51 N -0.31 0.37 0.00 7.32 0.00 0.12 -4.64 107.32 110.18 2b7t s GLY 51 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.40 2b7t s GLY 51 CO 0.02 -0.37 0.21 -1.55 0.00 0.00 0.00 173.10 171.41 2b7t n PRO 52 N 2.58 0.34 -3.51 2.90 -0.04 -1.26 -1.68 135.00 134.32 2b7t n PRO 52 Ca -0.15 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.15 2b7t n PRO 52 Cb 0.57 -1.13 -0.05 0.00 -0.04 0.00 0.00 33.50 32.85 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 -1.24 0.00 0.45 0.52 -1.32 -1.20 -4.23 115.64 108.62 2b7t s THR 53 Ca 0.00 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.67 2b7t s THR 53 Cb 0.00 -1.00 0.38 0.00 -1.51 0.00 0.00 72.50 70.37 2b7t s THR 53 CO 0.00 0.00 1.90 0.50 -2.21 0.00 0.00 174.62 174.81 2b7t h LYS 54 N 2.73 0.31 0.00 7.08 3.64 -1.87 -1.65 116.57 126.81 2b7t h LYS 54 Ca -0.26 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 58.92 2b7t h LYS 54 Cb 1.17 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 2b7t h LYS 54 CO 0.37 0.21 -0.85 0.87 -2.27 0.00 0.00 179.45 177.77 2b7t h LYS 55 N 0.32 0.00 0.00 1.90 6.56 -1.97 -3.03 116.57 120.35 2b7t h LYS 55 Ca 0.40 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.81 2b7t h LYS 55 Cb 1.07 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.70 2b7t h LYS 55 CO -0.11 0.85 -0.83 -0.22 -2.06 0.00 0.00 179.45 177.08 2b7t h LYS 56 N 0.00 0.03 0.97 3.15 3.64 -1.67 -2.73 116.57 119.96 2b7t h LYS 56 Ca -0.01 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 2b7t h LYS 56 Cb 1.62 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 33.45 2b7t h LYS 56 CO 0.11 0.84 -0.48 0.00 -2.27 0.00 0.00 179.45 177.65 2b7t h ALA 57 N 1.15 -1.33 -0.81 5.00 0.00 -1.36 -0.33 119.26 121.58 2b7t h ALA 57 Ca -0.01 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 54.70 2b7t h ALA 57 Cb 1.47 0.53 -0.07 0.00 0.00 0.00 0.00 17.79 19.72 2b7t h ALA 57 CO 0.11 -1.25 0.47 1.57 0.00 0.00 0.00 179.25 180.15 2b7t h LYS 58 N -1.32 0.78 -0.17 0.00 2.10 -1.65 -1.52 116.57 114.79 2b7t h LYS 58 Ca -0.13 -0.05 0.05 0.00 -2.00 0.00 0.00 60.65 58.52 2b7t h LYS 58 Cb 1.02 -0.17 -0.06 0.00 -0.90 0.00 0.00 32.23 32.12 2b7t h LYS 58 CO 0.21 0.51 -0.19 1.25 -2.00 0.00 0.00 179.45 179.23 2b7t h LEU 59 N 0.80 -0.59 0.06 7.07 5.85 -1.41 0.46 115.31 127.55 2b7t h LEU 59 Ca 0.38 0.11 0.02 0.00 0.84 0.00 0.00 57.88 59.23 2b7t h LEU 59 Cb 0.32 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 2b7t h LEU 59 CO -0.23 -0.23 -0.23 -0.74 -0.34 0.00 0.00 178.44 176.67 2b7t h HIS 60 N -0.22 -0.60 0.21 1.25 2.76 -0.63 0.72 115.15 118.64 2b7t h HIS 60 Ca 0.11 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.31 2b7t h HIS 60 Cb 0.38 0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.57 2b7t h HIS 60 CO -0.32 -0.32 -0.34 0.00 -1.30 0.00 0.00 177.93 175.66 2b7t h ALA 61 N 0.42 -0.64 0.15 5.26 0.00 -1.13 -2.02 119.26 121.31 2b7t h ALA 61 Ca 0.04 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2b7t h ALA 61 Cb 0.44 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2b7t h ALA 61 CO -0.16 -0.91 -0.28 0.00 0.00 0.00 0.00 179.25 177.90 2b7t h ALA 62 N -0.05 -0.50 0.18 0.00 0.00 -0.80 0.16 119.26 118.26 2b7t h ALA 62 Ca 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2b7t h ALA 62 Cb 0.61 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2b7t h ALA 62 CO -0.14 -0.83 -0.30 1.49 0.00 0.00 0.00 179.25 179.47 2b7t h GLU 63 N -0.51 -0.49 -0.66 0.00 4.22 -0.78 -1.73 114.58 114.62 2b7t h GLU 63 Ca 0.02 0.03 0.05 0.00 0.08 0.00 0.00 59.36 59.55 2b7t h GLU 63 Cb 0.53 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 2b7t h GLU 63 CO -0.14 -0.33 0.43 -0.22 -2.18 0.00 0.00 179.01 176.57 2b7t h LYS 64 N -0.51 0.68 0.35 1.92 3.64 -1.41 -1.33 116.57 119.92 2b7t h LYS 64 Ca -0.02 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2b7t h LYS 64 Cb 0.47 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2b7t h LYS 64 CO -0.10 0.45 -0.33 0.00 -2.27 0.00 0.00 179.45 177.20 2b7t h ALA 65 N 1.63 -1.03 -0.20 5.00 0.00 0.18 0.31 119.26 125.15 2b7t h ALA 65 Ca 0.28 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 2b7t h ALA 65 Cb 0.20 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2b7t h ALA 65 CO -0.08 -1.04 -0.56 1.25 0.00 0.00 0.00 179.25 178.81 2b7t h LEU 66 N -0.67 0.69 0.52 0.00 6.46 -1.36 -1.66 115.31 119.28 2b7t h LEU 66 Ca -0.04 -0.37 -0.02 0.00 -0.12 0.00 0.00 57.88 57.33 2b7t h LEU 66 Cb 0.58 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 2b7t h LEU 66 CO -0.03 1.10 -0.49 -0.09 -0.62 0.00 0.00 178.44 178.31 2b7t h ARG 67 N 0.47 -0.97 -0.97 1.25 1.12 -1.19 -1.01 114.38 113.08 2b7t h ARG 67 Ca 0.01 0.07 0.10 0.00 -1.11 0.00 0.00 59.98 59.04 2b7t h ARG 67 Cb 1.12 0.22 -0.07 0.00 -0.01 0.00 0.00 29.97 31.23 2b7t h ARG 67 CO 0.11 -0.65 0.62 1.03 -3.11 0.00 0.00 179.97 177.97 2b7t h SER 68 N -1.01 0.91 -0.12 -3.80 0.87 -0.45 0.18 113.55 110.13 2b7t h SER 68 Ca -0.07 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 2b7t h SER 68 Cb 0.86 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2b7t h SER 68 CO -0.04 0.52 0.04 0.15 -0.53 0.00 0.00 176.83 176.96 2b7t h PHE 69 N 0.99 0.26 0.02 2.24 3.57 -1.07 -3.28 116.94 119.66 2b7t h PHE 69 Ca 0.46 -0.01 -0.35 0.00 3.53 0.00 0.00 57.97 61.60 2b7t h PHE 69 Cb 0.40 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 2b7t h PHE 69 CO -0.00 0.24 -2.12 0.28 -2.23 0.00 0.00 178.31 174.48 2b7t n VAL 70 N -4.42 1.53 -3.79 1.41 0.31 -0.40 -5.03 118.33 107.94 2b7t n VAL 70 Ca -0.00 -0.77 -0.12 0.00 -0.01 0.00 0.00 64.34 63.44 2b7t n VAL 70 Cb 0.15 -0.97 -0.08 0.00 -0.91 0.00 0.00 33.84 32.02 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 -2.54 0.68 -0.09 5.55 0.74 0.53 -5.10 119.66 119.43 2b7t s GLN 71 Ca -0.13 -0.36 -0.03 0.00 0.05 0.00 0.00 55.36 54.88 2b7t s GLN 71 Cb 0.07 0.29 0.05 0.00 1.10 0.00 0.00 33.01 34.52 2b7t s GLN 71 CO 0.79 -0.19 0.12 -0.59 -0.55 0.00 0.00 175.29 174.86 2b7t s PHE 72 N -1.82 -0.04 -2.00 1.67 -0.12 -1.26 -3.62 117.98 110.79 2b7t s PHE 72 Ca -0.10 0.29 0.11 0.00 -0.05 0.00 0.00 56.93 57.18 2b7t s PHE 72 Cb -0.04 -0.42 0.63 0.00 -0.63 0.00 0.00 43.02 42.56 2b7t s PHE 72 CO 0.01 -0.31 1.07 -0.35 -0.05 0.00 0.00 175.22 175.59