#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 -1.87 3.66 -1.23 0.00 -1.26 -4.72 105.19 99.78 2b7t n GLY 2 Ca 0.00 0.89 -0.31 0.00 0.00 0.00 0.00 46.02 46.60 2b7t n GLY 2 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2b7t s PRO 3 N 0.00 0.88 0.33 1.61 0.02 -1.26 -5.00 135.00 131.59 2b7t s PRO 3 Ca 0.00 1.51 0.13 0.00 0.02 0.00 0.00 61.00 62.66 2b7t s PRO 3 Cb 0.00 -1.71 1.03 0.00 0.02 0.00 0.00 34.50 33.84 2b7t s PRO 3 CO 0.00 -2.72 1.65 -0.24 -0.33 0.00 0.00 177.00 175.37 2b7t h VAL 4 N -1.93 0.28 0.00 3.83 3.04 -2.05 -3.40 116.25 116.03 2b7t h VAL 4 Ca -0.44 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 2b7t h VAL 4 Cb 1.27 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 2b7t h VAL 4 CO 0.42 0.05 0.00 -0.11 -1.01 0.00 0.00 177.57 176.92 2b7t n LEU 5 N -5.10 0.00 -0.06 3.16 7.94 -1.26 -3.97 117.00 117.71 2b7t n LEU 5 Ca 0.30 0.00 0.24 0.00 -1.11 0.00 0.00 56.01 55.44 2b7t n LEU 5 Cb 0.95 0.00 0.72 0.00 0.53 0.00 0.00 43.42 45.61 2b7t n LEU 5 CO 0.08 0.00 1.22 -0.65 -1.11 0.00 0.00 177.39 176.93 2b7t h PRO 6 N 0.00 0.00 -0.86 1.96 0.11 -1.95 -2.35 132.00 128.91 2b7t h PRO 6 Ca 0.00 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.23 2b7t h PRO 6 Cb 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 30.98 2b7t h PRO 6 CO 0.00 0.00 -0.45 -0.22 -0.21 0.00 0.00 178.00 177.12 2b7t h LYS 7 N 0.00 -0.07 0.48 1.05 1.63 -1.94 -1.71 116.57 116.01 2b7t h LYS 7 Ca 0.32 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.10 2b7t h LYS 7 Cb 1.39 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 33.03 2b7t h LYS 7 CO -0.00 -0.05 -0.28 -0.91 -3.45 0.00 0.00 179.45 174.76 2b7t h ASN 8 N -0.07 -0.69 0.38 4.20 4.21 -1.76 0.16 115.58 122.00 2b7t h ASN 8 Ca 0.25 0.04 -0.02 0.00 1.21 0.00 0.00 56.30 57.78 2b7t h ASN 8 Cb 0.54 0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.94 2b7t h ASN 8 CO -0.88 -0.45 -0.18 0.00 -1.29 0.00 0.00 177.43 174.63 2b7t h ALA 9 N -0.23 -0.51 -0.17 -0.83 0.00 -1.75 -1.76 119.26 114.00 2b7t h ALA 9 Ca -0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2b7t h ALA 9 Cb 0.58 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2b7t h ALA 9 CO 0.07 -0.79 0.10 -0.07 0.00 0.00 0.00 179.25 178.56 2b7t h LEU 10 N -0.51 0.21 -0.88 0.00 -0.00 -1.09 -1.12 115.31 111.91 2b7t h LEU 10 Ca -0.05 -0.05 0.08 0.00 -0.00 0.00 0.00 57.88 57.86 2b7t h LEU 10 Cb 0.40 -0.05 -0.07 0.00 -0.00 0.00 0.00 40.66 40.93 2b7t h LEU 10 CO 0.08 0.20 0.53 0.00 -0.00 0.00 0.00 178.44 179.25 2b7t h MET 11 N 0.20 0.89 0.12 1.13 -0.00 -0.77 0.33 114.93 116.83 2b7t h MET 11 Ca 0.06 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.71 2b7t h MET 11 Cb 0.03 -0.20 -0.02 0.00 -0.00 0.00 0.00 31.60 31.41 2b7t h MET 11 CO -0.01 0.59 -0.28 0.37 -0.00 0.00 0.00 176.91 177.58 2b7t h GLN 12 N 0.92 -0.43 -0.02 -0.10 4.15 -0.29 -0.56 115.11 118.77 2b7t h GLN 12 Ca 0.41 0.03 -0.22 0.00 0.77 0.00 0.00 58.65 59.64 2b7t h GLN 12 Cb 0.30 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.09 2b7t h GLN 12 CO -0.22 -0.29 -0.89 1.37 -1.93 0.00 0.00 178.83 176.87 2b7t h LEU 13 N -0.44 0.53 -1.76 -2.39 -0.00 -1.31 -1.93 115.31 108.01 2b7t h LEU 13 Ca -0.01 -0.41 -0.02 0.00 -0.00 0.00 0.00 57.88 57.44 2b7t h LEU 13 Cb 0.43 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 2b7t h LEU 13 CO -0.12 1.20 -0.05 0.78 -0.00 0.00 0.00 178.44 180.25 2b7t h ASN 14 N 0.25 0.08 0.67 0.17 2.35 -0.99 0.23 115.58 118.35 2b7t h ASN 14 Ca -0.07 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.64 2b7t h ASN 14 Cb 1.52 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 39.87 2b7t h ASN 14 CO 0.16 0.14 -0.32 -0.33 -1.65 0.00 0.00 177.43 175.43 2b7t h GLU 15 N 0.09 -0.87 -0.99 0.81 5.08 -0.90 -2.58 114.58 115.21 2b7t h GLU 15 Ca 0.02 0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2b7t h GLU 15 Cb 0.14 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 2b7t h GLU 15 CO 0.01 -0.56 0.65 0.82 -1.00 0.00 0.00 179.01 178.92 2b7t h ILE 16 N -1.20 1.15 -2.61 3.13 2.04 -1.11 -3.36 117.51 115.55 2b7t h ILE 16 Ca -0.09 -0.42 -0.59 0.00 1.00 0.00 0.00 64.86 64.76 2b7t h ILE 16 Cb 0.71 -0.19 -0.39 0.00 -0.74 0.00 0.00 36.82 36.21 2b7t h ILE 16 CO 0.15 0.23 -0.85 -0.54 0.00 0.00 0.00 178.15 177.13 2b7t s LYS 17 N -6.07 0.76 -0.56 2.37 -0.14 0.80 -5.05 119.74 111.86 2b7t s LYS 17 Ca -0.13 -1.62 -0.06 0.00 -1.36 0.00 0.00 55.97 52.80 2b7t s LYS 17 Cb 0.19 -1.51 -0.16 0.00 -1.68 0.00 0.00 37.83 34.67 2b7t s LYS 17 CO 0.81 -1.24 2.86 -0.35 -0.76 0.00 0.00 175.35 176.67 2b7t n PRO 18 N 3.69 2.21 -2.66 -1.68 -0.04 -0.97 -3.87 135.00 131.68 2b7t n PRO 18 Ca 0.15 -1.26 -0.04 0.00 -0.04 0.00 0.00 63.50 62.31 2b7t n PRO 18 Cb 0.39 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 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 3.04 -0.59 3.91 0.55 0.00 -1.26 -5.11 105.19 105.73 2b7t n GLY 19 Ca 0.47 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.22 4.15 -0.26 0.99 1.02 -1.25 -4.85 118.68 116.27 2b7t s LEU 20 Ca 0.06 0.63 0.01 0.00 0.02 0.00 0.00 54.13 54.85 2b7t s LEU 20 Cb 0.10 -3.42 0.07 0.00 0.02 0.00 0.00 46.19 42.97 2b7t s LEU 20 CO -0.03 -0.10 -0.01 -1.10 0.02 0.00 0.00 176.35 175.13 2b7t s GLN 21 N -3.24 1.41 -0.14 1.70 1.11 -0.71 -4.93 119.66 114.87 2b7t s GLN 21 Ca 0.42 -1.07 -0.05 0.00 0.01 0.00 0.00 55.36 54.67 2b7t s GLN 21 Cb -0.11 -2.55 -0.04 0.00 -1.01 0.00 0.00 33.01 29.30 2b7t s GLN 21 CO 0.28 -0.70 0.06 0.71 0.01 0.00 0.00 175.29 175.65 2b7t s TYR 22 N 1.40 3.30 -0.00 0.91 1.51 -1.26 -0.71 117.35 122.49 2b7t s TYR 22 Ca -0.01 0.21 0.02 0.00 -1.01 0.00 0.00 57.07 56.28 2b7t s TYR 22 Cb -0.19 -1.95 -0.01 0.00 -0.11 0.00 0.00 41.96 39.71 2b7t s TYR 22 CO -0.09 0.39 -0.08 1.41 -1.11 0.00 0.00 175.55 176.07 2b7t s MET 23 N -0.36 0.64 -0.21 -0.62 1.75 -0.01 -4.99 119.30 115.49 2b7t s MET 23 Ca 0.09 -0.30 -0.08 0.00 -1.25 0.00 0.00 55.69 54.15 2b7t s MET 23 Cb -0.12 -0.61 -0.04 0.00 2.84 0.00 0.00 34.83 36.90 2b7t s MET 23 CO 0.02 0.17 0.07 -1.17 -0.65 0.00 0.00 175.02 173.46 2b7t s LEU 24 N -0.23 3.72 -0.10 4.11 1.98 -1.26 -1.07 118.68 125.83 2b7t s LEU 24 Ca 0.03 -0.01 0.00 0.00 -2.89 0.00 0.00 54.13 51.26 2b7t s LEU 24 Cb -0.03 -1.96 -0.03 0.00 0.66 0.00 0.00 46.19 44.83 2b7t s LEU 24 CO -0.00 0.10 -0.09 -0.76 -1.89 0.00 0.00 176.35 173.71 2b7t s LEU 25 N 0.84 3.02 0.23 -0.68 2.01 0.94 -4.99 118.68 120.04 2b7t s LEU 25 Ca 0.04 -0.14 -0.30 0.00 0.01 0.00 0.00 54.13 53.74 2b7t s LEU 25 Cb -0.14 -1.67 -0.09 0.00 0.01 0.00 0.00 46.19 44.30 2b7t s LEU 25 CO 0.02 0.27 1.28 -0.94 1.01 0.00 0.00 176.35 178.00 2b7t s SER 26 N -0.28 6.92 0.24 2.29 1.04 -1.26 -1.95 113.70 120.69 2b7t s SER 26 Ca 0.03 2.43 -0.31 0.00 0.48 0.00 0.00 55.95 58.57 2b7t s SER 26 Cb -0.13 -2.62 -0.13 0.00 0.10 0.00 0.00 66.02 63.25 2b7t s SER 26 CO 0.03 -0.48 1.56 1.67 0.98 0.00 0.00 173.24 176.99 2b7t n GLN 27 N 2.19 2.42 -1.61 4.02 0.00 -1.26 -4.72 117.38 118.42 2b7t n GLN 27 Ca 0.04 0.87 0.00 0.00 -0.00 0.00 0.00 57.00 57.91 2b7t n GLN 27 Cb 0.43 -2.62 0.00 0.00 0.00 0.00 0.00 30.24 28.05 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 2.63 0.00 -0.31 1.69 5.66 -0.29 -4.96 114.28 118.71 2b7t n THR 28 Ca 0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 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 0.11 -3.26 3.91 1.09 0.00 -1.26 -0.57 105.19 105.21 2b7t n GLY 29 Ca 0.00 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.73 1.87 0.56 1.61 0.02 -1.26 -4.80 135.00 132.27 2b7t s PRO 30 Ca 0.00 -0.03 0.31 0.00 0.02 0.00 0.00 61.00 61.30 2b7t s PRO 30 Cb 0.00 -1.99 1.46 0.00 0.02 0.00 0.00 34.50 34.00 2b7t s PRO 30 CO 0.00 -1.61 1.87 -0.39 -0.33 0.00 0.00 177.00 176.54 2b7t h VAL 31 N -1.02 0.46 -0.01 3.83 -1.51 -2.02 -2.67 116.25 113.31 2b7t h VAL 31 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 2b7t h VAL 31 Cb 1.32 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 2b7t h VAL 31 CO 0.62 0.00 -0.43 0.00 -1.23 0.00 0.00 177.57 176.53 2b7t n HIS 32 N -4.04 0.00 -2.73 5.19 1.44 -1.26 -4.71 115.22 109.12 2b7t n HIS 32 Ca 0.16 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.78 2b7t n HIS 32 Cb 0.90 0.00 0.07 0.00 0.12 0.00 0.00 29.99 31.08 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 -0.32 1.86 -1.65 1.59 0.00 -1.03 -5.12 120.51 115.84 2b7t n ALA 33 Ca 0.06 -2.13 -0.59 0.00 0.00 0.00 0.00 53.44 50.78 2b7t n ALA 33 Cb 0.34 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.24 0.82 -3.96 0.00 -0.02 -1.07 -4.07 135.00 126.46 2b7t n PRO 34 Ca 0.04 0.29 -0.35 0.00 -2.02 0.00 0.00 63.50 61.47 2b7t n PRO 34 Cb 0.81 -1.97 -0.14 0.00 -0.02 0.00 0.00 33.50 32.17 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 4.09 2.72 -0.05 2.45 1.98 0.27 -3.91 118.68 126.23 2b7t s LEU 35 Ca 1.03 -0.45 0.02 0.00 -2.89 0.00 0.00 54.13 51.84 2b7t s LEU 35 Cb -1.17 -1.68 -0.03 0.00 0.66 0.00 0.00 46.19 43.97 2b7t s LEU 35 CO 0.67 -0.01 -0.08 -0.36 -1.89 0.00 0.00 176.35 174.68 2b7t s PHE 36 N 1.43 2.90 -0.10 5.38 0.40 -0.60 -1.13 117.98 126.26 2b7t s PHE 36 Ca 0.06 -0.01 -0.00 0.00 -0.60 0.00 0.00 56.93 56.37 2b7t s PHE 36 Cb -0.14 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.68 2b7t s PHE 36 CO -0.05 0.32 -0.07 0.54 0.70 0.00 0.00 175.22 176.66 2b7t s VAL 37 N -0.84 3.63 -0.09 -0.44 0.11 -0.82 -1.21 120.40 120.73 2b7t s VAL 37 Ca 0.13 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 2b7t s VAL 37 Cb -0.11 -2.52 -0.02 0.00 -1.53 0.00 0.00 36.38 32.20 2b7t s VAL 37 CO 0.03 0.56 -0.10 -0.04 -3.33 0.00 0.00 175.10 172.22 2b7t s MET 38 N -0.31 3.01 -0.17 1.54 -1.94 -0.09 -0.04 119.30 121.29 2b7t s MET 38 Ca 0.04 -0.61 -0.17 0.00 -1.71 0.00 0.00 55.69 53.24 2b7t s MET 38 Cb -0.13 -2.60 -0.04 0.00 2.01 0.00 0.00 34.83 34.07 2b7t s MET 38 CO 0.02 0.47 0.42 -1.54 -0.01 0.00 0.00 175.02 174.38 2b7t s SER 39 N -0.30 6.52 -0.10 3.03 1.04 -0.23 -0.90 113.70 122.75 2b7t s SER 39 Ca 0.03 0.62 0.03 0.00 0.48 0.00 0.00 55.95 57.11 2b7t s SER 39 Cb -0.13 -2.25 -0.01 0.00 0.10 0.00 0.00 66.02 63.74 2b7t s SER 39 CO 0.03 -0.04 -0.21 0.54 0.98 0.00 0.00 173.24 174.53 2b7t s VAL 40 N 1.05 2.32 -0.21 5.02 0.11 0.03 -0.83 120.40 127.88 2b7t s VAL 40 Ca 0.21 -0.94 -0.07 0.00 -2.93 0.00 0.00 61.98 58.25 2b7t s VAL 40 Cb -0.15 -1.90 -0.04 0.00 -1.53 0.00 0.00 36.38 32.77 2b7t s VAL 40 CO 0.08 0.55 0.07 -0.70 -3.33 0.00 0.00 175.10 171.77 2b7t s GLU 41 N 0.23 3.85 0.00 1.54 -6.30 0.11 -0.45 118.70 117.69 2b7t s GLU 41 Ca -0.14 -0.40 0.00 0.00 -2.50 0.00 0.00 54.97 51.93 2b7t s GLU 41 Cb -0.17 -3.26 0.00 0.00 0.00 0.00 0.00 34.13 30.71 2b7t s GLU 41 CO 0.07 0.10 0.00 1.55 0.02 0.00 0.00 175.26 177.00 2b7t n VAL 42 N 4.07 0.00 -0.75 3.70 3.14 -0.86 -1.73 118.33 125.90 2b7t n VAL 42 Ca -0.16 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 60.83 2b7t n VAL 42 Cb 0.52 0.89 0.00 0.00 -1.06 0.00 0.00 33.84 34.19 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 -1.08 0.00 0.00 6.55 5.15 -1.26 -4.96 115.26 119.66 2b7t n ASN 43 Ca 0.00 -0.31 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 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 0.74 2.99 8.20 0.00 -1.26 -5.13 105.19 110.72 2b7t n GLY 44 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.47 -0.13 1.61 0.00 -1.26 -5.15 119.66 115.20 2b7t s GLN 45 Ca 0.00 -0.32 -0.05 0.00 -0.00 0.00 0.00 55.36 54.99 2b7t s GLN 45 Cb 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 33.01 32.57 2b7t s GLN 45 CO 0.00 0.10 0.04 0.14 0.00 0.00 0.00 175.29 175.57 2b7t s VAL 46 N -0.40 4.62 -0.16 3.63 -7.23 -1.26 -2.03 120.40 117.56 2b7t s VAL 46 Ca -0.00 -0.12 -0.00 0.00 -1.81 0.00 0.00 61.98 60.05 2b7t s VAL 46 Cb -0.04 -3.01 -0.00 0.00 0.56 0.00 0.00 36.38 33.89 2b7t s VAL 46 CO -0.00 0.55 -0.14 -0.36 -0.31 0.00 0.00 175.10 174.84 2b7t s PHE 47 N -0.39 2.81 -0.17 2.82 0.40 0.41 -4.87 117.98 118.99 2b7t s PHE 47 Ca 0.09 -1.03 -0.13 0.00 -0.60 0.00 0.00 56.93 55.26 2b7t s PHE 47 Cb -0.12 -1.92 -0.05 0.00 0.51 0.00 0.00 43.02 41.44 2b7t s PHE 47 CO 0.02 -0.48 0.25 -1.21 0.70 0.00 0.00 175.22 174.50 2b7t s GLU 48 N 0.91 4.23 -0.02 0.44 0.41 -1.26 -0.79 118.70 122.62 2b7t s GLU 48 Ca -0.03 0.01 0.02 0.00 -0.41 0.00 0.00 54.97 54.55 2b7t s GLU 48 Cb -0.15 -3.43 0.00 0.00 -1.78 0.00 0.00 34.13 28.77 2b7t s GLU 48 CO -0.01 0.24 -0.05 0.20 -0.49 0.00 0.00 175.26 175.14 2b7t s GLY 49 N 0.49 0.32 -0.16 -1.39 0.00 -0.08 -4.62 107.32 101.89 2b7t s GLY 49 Ca 0.14 -0.16 -0.06 0.00 0.00 0.00 0.00 44.72 44.64 2b7t s GLY 49 CO 0.02 0.02 0.05 -1.35 0.00 0.00 0.00 173.10 171.84 2b7t s SER 50 N 0.22 5.56 0.04 1.64 1.04 -1.26 -0.91 113.70 120.03 2b7t s SER 50 Ca -0.02 0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.54 2b7t s SER 50 Cb -0.06 -1.87 -0.02 0.00 0.10 0.00 0.00 66.02 64.16 2b7t s SER 50 CO -0.00 0.24 -0.08 -0.83 0.98 0.00 0.00 173.24 173.55 2b7t s GLY 51 N -0.00 0.51 0.00 7.32 0.00 -0.35 -4.62 107.32 110.18 2b7t s GLY 51 Ca 0.05 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.99 2b7t s GLY 51 CO 0.01 -0.84 0.39 -1.55 0.00 0.00 0.00 173.10 171.12 2b7t n PRO 52 N 1.42 0.41 -3.58 2.90 -0.04 -1.26 -1.56 135.00 133.29 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 -1.02 -0.07 0.00 -0.04 0.00 0.00 33.50 32.92 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 -1.91 0.01 0.53 0.52 -1.32 -1.25 -4.57 115.64 107.65 2b7t s THR 53 Ca 0.00 -0.10 0.22 0.00 -1.21 0.00 0.00 61.69 60.60 2b7t s THR 53 Cb 0.00 -0.91 0.34 0.00 -1.51 0.00 0.00 72.50 70.42 2b7t s THR 53 CO 0.00 -0.06 2.07 0.07 -2.21 0.00 0.00 174.62 174.49 2b7t h LYS 54 N 3.24 0.00 -0.24 7.08 2.10 -1.89 -0.91 116.57 125.95 2b7t h LYS 54 Ca -0.28 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.27 2b7t h LYS 54 Cb 1.15 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 2b7t h LYS 54 CO 0.38 0.00 -0.29 0.87 -2.00 0.00 0.00 179.45 178.42 2b7t h LYS 55 N 0.00 0.49 0.02 0.07 6.56 -1.97 -1.34 116.57 120.40 2b7t h LYS 55 Ca 0.14 -0.20 -0.22 0.00 -1.06 0.00 0.00 60.65 59.31 2b7t h LYS 55 Cb 0.56 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.20 2b7t h LYS 55 CO -0.00 0.73 -0.96 0.87 -2.06 0.00 0.00 179.45 178.03 2b7t h LYS 56 N 0.43 0.29 0.71 3.15 1.57 -1.62 -2.69 116.57 118.40 2b7t h LYS 56 Ca 0.06 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 2b7t h LYS 56 Cb 0.72 0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.14 2b7t h LYS 56 CO 0.06 1.05 -0.34 0.00 -0.57 0.00 0.00 179.45 179.65 2b7t h ALA 57 N 0.82 -0.95 -0.91 3.86 0.00 -0.98 0.34 119.26 121.43 2b7t h ALA 57 Ca -0.07 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.68 2b7t h ALA 57 Cb 1.61 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 19.71 2b7t h ALA 57 CO 0.16 -1.04 0.58 1.57 0.00 0.00 0.00 179.25 180.52 2b7t h LYS 58 N -0.95 1.05 -0.14 0.00 2.10 -1.38 -1.32 116.57 115.92 2b7t h LYS 58 Ca -0.10 -0.06 0.04 0.00 -2.00 0.00 0.00 60.65 58.53 2b7t h LYS 58 Cb 0.73 -0.24 -0.04 0.00 -0.90 0.00 0.00 32.23 31.78 2b7t h LYS 58 CO 0.16 0.70 -0.12 1.25 -2.00 0.00 0.00 179.45 179.43 2b7t h LEU 59 N 1.08 -0.38 -0.26 7.07 6.46 -1.36 -0.05 115.31 127.88 2b7t h LEU 59 Ca 0.38 0.08 0.05 0.00 -0.12 0.00 0.00 57.88 58.27 2b7t h LEU 59 Cb 0.10 0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.18 2b7t h LEU 59 CO -0.15 -0.16 -0.03 -0.74 -0.62 0.00 0.00 178.44 176.74 2b7t h HIS 60 N -0.13 -0.08 0.40 1.25 2.76 -0.49 0.18 115.15 119.04 2b7t h HIS 60 Ca 0.09 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 2b7t h HIS 60 Cb 0.27 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.29 2b7t h HIS 60 CO -0.25 -0.08 -0.39 0.00 -1.30 0.00 0.00 177.93 175.91 2b7t h ALA 61 N 1.24 -1.07 -0.14 5.26 0.00 -1.10 -2.14 119.26 121.30 2b7t h ALA 61 Ca 0.12 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2b7t h ALA 61 Cb 0.18 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2b7t h ALA 61 CO -0.24 -1.09 -0.08 0.00 0.00 0.00 0.00 179.25 177.84 2b7t h ALA 62 N -1.11 0.03 0.33 0.00 0.00 -0.88 0.69 119.26 118.32 2b7t h ALA 62 Ca -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2b7t h ALA 62 Cb 0.68 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2b7t h ALA 62 CO -0.04 -0.53 -0.40 1.49 0.00 0.00 0.00 179.25 179.76 2b7t h GLU 63 N -0.08 -0.72 -0.96 0.00 4.22 -0.68 -1.42 114.58 114.94 2b7t h GLU 63 Ca 0.08 0.05 0.10 0.00 0.08 0.00 0.00 59.36 59.67 2b7t h GLU 63 Cb 0.20 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 2b7t h GLU 63 CO -0.19 -0.48 0.61 -0.22 -2.18 0.00 0.00 179.01 176.55 2b7t h LYS 64 N -0.75 0.95 0.37 1.92 3.64 -1.37 -1.08 116.57 120.25 2b7t h LYS 64 Ca -0.04 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 2b7t h LYS 64 Cb 0.67 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2b7t h LYS 64 CO -0.09 0.63 -0.35 0.00 -2.27 0.00 0.00 179.45 177.37 2b7t h ALA 65 N 1.53 -1.04 -0.03 5.00 0.00 0.18 0.29 119.26 125.20 2b7t h ALA 65 Ca 0.45 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 2b7t h ALA 65 Cb 0.40 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2b7t h ALA 65 CO -0.21 -1.06 -0.71 1.25 0.00 0.00 0.00 179.25 178.52 2b7t h LEU 66 N -0.70 0.20 0.55 0.00 6.46 -1.38 -1.67 115.31 118.77 2b7t h LEU 66 Ca -0.05 -0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.56 2b7t h LEU 66 Cb 0.61 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 2b7t h LEU 66 CO -0.03 0.85 -0.49 -0.09 -0.62 0.00 0.00 178.44 178.06 2b7t h ARG 67 N 0.11 -0.99 -0.73 1.25 1.12 -1.11 -1.25 114.38 112.79 2b7t h ARG 67 Ca -0.02 0.07 0.11 0.00 -1.11 0.00 0.00 59.98 59.02 2b7t h ARG 67 Cb 1.27 0.22 -0.05 0.00 -0.01 0.00 0.00 29.97 31.40 2b7t h ARG 67 CO 0.11 -0.66 0.48 1.03 -3.11 0.00 0.00 179.97 177.82 2b7t h SER 68 N -1.02 0.52 -0.20 -3.80 0.87 -0.46 0.27 113.55 109.73 2b7t h SER 68 Ca -0.07 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.43 2b7t h SER 68 Cb 0.87 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 2b7t h SER 68 CO -0.03 0.30 -0.10 0.15 -0.53 0.00 0.00 176.83 176.63 2b7t h PHE 69 N 0.57 0.60 0.10 2.24 3.04 -1.10 -3.33 116.94 119.05 2b7t h PHE 69 Ca 0.34 -0.09 -0.37 0.00 3.98 0.00 0.00 57.97 61.83 2b7t h PHE 69 Cb 0.55 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.87 2b7t h PHE 69 CO -0.00 0.64 -2.07 0.28 -2.02 0.00 0.00 178.31 175.14 2b7t n VAL 70 N -4.21 1.73 -0.78 1.41 0.31 -0.49 -5.07 118.33 111.23 2b7t n VAL 70 Ca 0.01 -0.65 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2b7t n VAL 70 Cb 0.32 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 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 -3.43 0.00 0.00 5.55 6.02 0.89 -5.11 117.38 121.30 2b7t n GLN 71 Ca -0.34 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.65 2b7t n GLN 71 Cb 1.04 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.30 2b7t n GLN 71 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2b7t n PHE 72 N 0.00 0.00 0.00 1.08 7.35 -1.25 -3.95 117.46 120.69 2b7t n PHE 72 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2b7t n PHE 72 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2b7t n PHE 72 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70