#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 -0.18 0.79 0.55 0.00 -1.26 -5.17 107.32 102.05 2b7t s GLY 2 Ca 0.00 0.14 -0.11 0.00 0.00 0.00 0.00 44.72 44.75 2b7t s GLY 2 CO 0.00 5.61 1.09 2.56 0.00 0.00 0.00 173.10 182.36 2b7t s PRO 3 N -2.03 2.11 -0.11 2.90 0.04 -1.26 -5.09 135.00 131.56 2b7t s PRO 3 Ca 0.29 1.02 -0.07 0.00 0.04 0.00 0.00 61.00 62.29 2b7t s PRO 3 Cb 0.00 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.69 2b7t s PRO 3 CO -0.02 -1.70 0.26 0.54 0.04 0.00 0.00 177.00 176.12 2b7t s VAL 4 N -2.95 -0.03 -0.45 -0.36 0.11 -1.26 -5.14 120.40 110.33 2b7t s VAL 4 Ca 0.61 0.10 0.05 0.00 -2.93 0.00 0.00 61.98 59.81 2b7t s VAL 4 Cb -0.17 -0.39 0.19 0.00 -1.53 0.00 0.00 36.38 34.49 2b7t s VAL 4 CO 0.56 0.04 0.43 0.18 -3.33 0.00 0.00 175.10 172.97 2b7t n LEU 5 N 3.81 0.30 -4.33 2.54 4.77 -1.26 -5.09 117.00 117.74 2b7t n LEU 5 Ca -0.21 -4.61 -0.56 0.00 -0.03 0.00 0.00 56.01 50.61 2b7t n LEU 5 Cb 0.55 0.36 -0.10 0.00 -2.33 0.00 0.00 43.42 41.90 2b7t n LEU 5 CO 0.15 1.91 1.77 -2.65 -1.33 0.00 0.00 177.39 177.24 2b7t n PRO 6 N 2.27 0.43 0.03 3.23 -0.02 -1.26 -4.80 135.00 134.87 2b7t n PRO 6 Ca 0.27 0.11 -0.06 0.00 -2.02 0.00 0.00 63.50 61.79 2b7t n PRO 6 Cb 0.47 -1.89 -0.04 0.00 -0.02 0.00 0.00 33.50 32.03 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 10.47 -0.27 0.81 -0.52 3.11 -1.99 -1.92 116.57 126.26 2b7t h LYS 7 Ca -0.17 0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 57.66 2b7t h LYS 7 Cb 1.38 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 32.67 2b7t h LYS 7 CO 1.07 -0.18 -0.49 -2.95 -2.81 0.00 0.00 179.45 174.09 2b7t h ASN 8 N -0.28 -1.23 0.20 4.20 -1.07 -1.99 0.11 115.58 115.52 2b7t h ASN 8 Ca 0.00 0.07 -0.00 0.00 0.07 0.00 0.00 56.30 56.44 2b7t h ASN 8 Cb 0.29 0.36 -0.01 0.00 -2.07 0.00 0.00 38.32 36.89 2b7t h ASN 8 CO -0.14 -0.76 -0.15 0.00 0.07 0.00 0.00 177.43 176.46 2b7t h ALA 9 N -1.15 -0.33 -0.41 4.14 0.00 -1.94 -1.95 119.26 117.62 2b7t h ALA 9 Ca -0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2b7t h ALA 9 Cb 0.97 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2b7t h ALA 9 CO 0.11 -0.70 0.09 -0.07 0.00 0.00 0.00 179.25 178.69 2b7t h LEU 10 N -0.35 0.62 -0.65 0.00 -0.00 -1.16 -1.20 115.31 112.57 2b7t h LEU 10 Ca -0.01 -0.24 0.07 0.00 -0.00 0.00 0.00 57.88 57.71 2b7t h LEU 10 Cb 0.31 -0.16 -0.06 0.00 -0.00 0.00 0.00 40.66 40.74 2b7t h LEU 10 CO -0.00 0.70 0.33 0.00 -0.00 0.00 0.00 178.44 179.47 2b7t h MET 11 N 0.52 0.58 0.04 1.13 -0.00 -0.85 0.49 114.93 116.84 2b7t h MET 11 Ca 0.13 -0.03 0.01 0.00 -0.00 0.00 0.00 59.70 59.80 2b7t h MET 11 Cb 0.32 -0.13 -0.03 0.00 -0.00 0.00 0.00 31.60 31.76 2b7t h MET 11 CO 0.00 0.38 -0.28 0.37 -0.00 0.00 0.00 176.91 177.38 2b7t h GLN 12 N 0.59 -0.37 0.01 -0.10 4.15 -0.43 -0.29 115.11 118.67 2b7t h GLN 12 Ca 0.31 0.03 -0.21 0.00 0.77 0.00 0.00 58.65 59.55 2b7t h GLN 12 Cb 0.26 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 2b7t h GLN 12 CO -0.22 -0.25 -0.91 1.37 -1.93 0.00 0.00 178.83 176.89 2b7t h LEU 13 N -0.39 0.31 -1.02 -2.39 -0.00 -1.34 -1.86 115.31 108.62 2b7t h LEU 13 Ca -0.00 -0.26 0.05 0.00 -0.00 0.00 0.00 57.88 57.68 2b7t h LEU 13 Cb 0.40 -0.10 -0.06 0.00 -0.00 0.00 0.00 40.66 40.90 2b7t h LEU 13 CO -0.17 1.07 0.65 -1.13 -0.00 0.00 0.00 178.44 178.86 2b7t h ASN 14 N 0.13 1.06 0.65 0.17 -0.00 -0.91 0.30 115.58 116.98 2b7t h ASN 14 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.21 2b7t h ASN 14 Cb 1.54 -0.23 0.01 0.00 -0.00 0.00 0.00 38.32 39.64 2b7t h ASN 14 CO 0.14 0.70 -0.31 -0.33 -0.00 0.00 0.00 177.43 177.63 2b7t h GLU 15 N 1.21 -0.84 -0.79 6.67 5.08 -0.90 -2.20 114.58 122.80 2b7t h GLU 15 Ca 0.41 0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.84 2b7t h GLU 15 Cb 0.10 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2b7t h GLU 15 CO -0.15 -0.52 0.53 0.82 -1.00 0.00 0.00 179.01 178.69 2b7t h ILE 16 N -1.09 1.20 -2.33 3.13 2.04 -1.17 -3.37 117.51 115.92 2b7t h ILE 16 Ca -0.09 -0.37 -0.53 0.00 1.00 0.00 0.00 64.86 64.88 2b7t h ILE 16 Cb 0.71 0.04 -0.36 0.00 -0.74 0.00 0.00 36.82 36.46 2b7t h ILE 16 CO 0.15 0.20 -0.85 -0.54 0.00 0.00 0.00 178.15 177.10 2b7t s LYS 17 N -5.89 0.70 -0.42 2.37 -0.14 0.10 -5.05 119.74 111.41 2b7t s LYS 17 Ca -0.11 -1.49 -0.06 0.00 -1.36 0.00 0.00 55.97 52.95 2b7t s LYS 17 Cb 0.18 -1.18 -0.17 0.00 -1.68 0.00 0.00 37.83 34.98 2b7t s LYS 17 CO 0.79 -1.27 2.86 -0.35 -0.76 0.00 0.00 175.35 176.62 2b7t n PRO 18 N 3.64 2.04 -2.66 -1.68 -0.04 -0.83 -3.94 135.00 131.53 2b7t n PRO 18 Ca 0.18 -1.14 -0.04 0.00 -0.04 0.00 0.00 63.50 62.46 2b7t n PRO 18 Cb 0.43 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 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 2.94 -0.42 3.91 0.55 0.00 -1.26 -5.10 105.19 105.81 2b7t n GLY 19 Ca 0.44 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.32 4.32 -0.24 0.99 1.02 -1.25 -4.87 118.68 116.32 2b7t s LEU 20 Ca 0.06 0.39 0.01 0.00 0.02 0.00 0.00 54.13 54.62 2b7t s LEU 20 Cb 0.11 -3.10 0.06 0.00 0.02 0.00 0.00 46.19 43.28 2b7t s LEU 20 CO -0.03 0.11 -0.06 -1.10 0.02 0.00 0.00 176.35 175.29 2b7t s GLN 21 N -2.63 1.74 -0.14 1.70 1.11 -0.81 -4.89 119.66 115.75 2b7t s GLN 21 Ca 0.37 -1.06 -0.06 0.00 0.01 0.00 0.00 55.36 54.63 2b7t s GLN 21 Cb -0.13 -2.64 -0.04 0.00 -1.01 0.00 0.00 33.01 29.19 2b7t s GLN 21 CO 0.27 -0.59 0.08 0.71 0.01 0.00 0.00 175.29 175.77 2b7t s TYR 22 N 1.34 3.36 0.01 0.91 1.51 -1.26 -0.53 117.35 122.68 2b7t s TYR 22 Ca -0.06 0.28 0.03 0.00 -1.01 0.00 0.00 57.07 56.30 2b7t s TYR 22 Cb -0.19 -1.97 -0.01 0.00 -0.11 0.00 0.00 41.96 39.68 2b7t s TYR 22 CO -0.06 0.44 -0.10 1.41 -1.11 0.00 0.00 175.55 176.13 2b7t s MET 23 N -0.40 0.75 -0.13 -0.62 1.75 0.00 -4.98 119.30 115.66 2b7t s MET 23 Ca 0.10 -0.44 -0.02 0.00 -1.25 0.00 0.00 55.69 54.08 2b7t s MET 23 Cb -0.12 -0.71 -0.02 0.00 2.84 0.00 0.00 34.83 36.82 2b7t s MET 23 CO 0.02 0.19 -0.07 -1.17 -0.65 0.00 0.00 175.02 173.33 2b7t s LEU 24 N -0.51 3.06 0.23 4.11 2.96 -1.26 -0.80 118.68 126.47 2b7t s LEU 24 Ca 0.02 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 2b7t s LEU 24 Cb -0.05 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 2b7t s LEU 24 CO 0.00 0.20 0.07 -0.76 -1.32 0.00 0.00 176.35 174.54 2b7t s LEU 25 N 0.19 1.73 0.06 -0.68 2.01 0.60 -5.01 118.68 117.58 2b7t s LEU 25 Ca -0.04 -1.32 -0.30 0.00 0.01 0.00 0.00 54.13 52.48 2b7t s LEU 25 Cb -0.14 0.04 -0.05 0.00 0.01 0.00 0.00 46.19 46.05 2b7t s LEU 25 CO 0.04 -0.69 1.08 -0.94 1.01 0.00 0.00 176.35 176.84 2b7t s SER 26 N -3.25 7.26 0.08 2.29 1.04 -1.26 -1.75 113.70 118.10 2b7t s SER 26 Ca 0.34 1.87 -0.32 0.00 0.48 0.00 0.00 55.95 58.32 2b7t s SER 26 Cb 0.07 -2.58 -0.11 0.00 0.10 0.00 0.00 66.02 63.50 2b7t s SER 26 CO 0.10 -0.31 1.84 1.67 0.98 0.00 0.00 173.24 177.53 2b7t n GLN 27 N 3.54 2.65 -0.38 4.02 0.00 -1.26 -4.55 117.38 121.40 2b7t n GLN 27 Ca 0.06 0.96 0.00 0.00 -0.00 0.00 0.00 57.00 58.03 2b7t n GLN 27 Cb 0.48 -2.85 0.00 0.00 0.00 0.00 0.00 30.24 27.87 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 4.78 0.00 0.00 1.69 5.66 -0.43 -5.00 114.28 120.98 2b7t n THR 28 Ca 0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.19 2b7t n THR 28 Cb 0.36 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 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 0.43 1.48 1.09 0.00 -1.26 -0.59 105.19 106.35 2b7t n GLY 29 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.80 0.95 0.00 1.61 -0.02 -1.21 -4.78 135.00 130.74 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 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 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 1.44 0.00 -0.05 -1.45 0.31 -1.26 -4.46 118.33 112.86 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 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 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 -0.51 0.00 -3.70 3.52 1.44 -1.26 -4.97 115.22 109.74 2b7t n HIS 32 Ca 0.00 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.55 2b7t n HIS 32 Cb 0.00 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 29.95 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 -0.29 -0.11 0.52 1.59 0.00 -1.26 -5.15 121.76 117.06 2b7t s ALA 33 Ca 0.00 0.52 -0.21 0.00 0.00 0.00 0.00 51.96 52.27 2b7t s ALA 33 Cb 0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 23.12 22.39 2b7t s ALA 33 CO 0.00 -0.41 1.05 -2.30 0.00 0.00 0.00 175.76 174.10 2b7t n PRO 34 N 4.95 1.24 -3.96 0.00 -0.02 -1.26 -3.31 135.00 132.63 2b7t n PRO 34 Ca -0.12 0.46 -0.15 0.00 -2.02 0.00 0.00 63.50 61.67 2b7t n PRO 34 Cb 0.50 -2.19 -0.15 0.00 -0.02 0.00 0.00 33.50 31.64 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 -1.64 1.62 0.06 2.45 1.98 0.24 -4.27 118.68 119.12 2b7t s LEU 35 Ca 0.70 -0.03 0.04 0.00 -2.89 0.00 0.00 54.13 51.94 2b7t s LEU 35 Cb -0.47 -0.16 -0.03 0.00 0.66 0.00 0.00 46.19 46.19 2b7t s LEU 35 CO 0.52 -0.03 -0.12 -0.36 -1.89 0.00 0.00 176.35 174.47 2b7t s PHE 36 N 0.44 1.03 -0.05 5.38 0.40 -0.29 -1.31 117.98 123.58 2b7t s PHE 36 Ca -0.04 -0.48 0.05 0.00 -0.60 0.00 0.00 56.93 55.86 2b7t s PHE 36 Cb -0.07 -0.59 -0.01 0.00 0.51 0.00 0.00 43.02 42.87 2b7t s PHE 36 CO -0.01 0.01 -0.20 0.14 0.70 0.00 0.00 175.22 175.86 2b7t s VAL 37 N -1.34 1.67 -0.06 -0.44 -7.23 -0.72 -1.19 120.40 111.09 2b7t s VAL 37 Ca -0.04 -0.85 0.05 0.00 -1.81 0.00 0.00 61.98 59.32 2b7t s VAL 37 Cb -0.10 -1.42 -0.02 0.00 0.56 0.00 0.00 36.38 35.40 2b7t s VAL 37 CO 0.02 0.47 -0.21 -0.04 -0.31 0.00 0.00 175.10 175.03 2b7t s MET 38 N -0.06 2.55 -0.26 4.82 -1.94 -0.22 -0.29 119.30 123.90 2b7t s MET 38 Ca -0.03 -0.83 -0.12 0.00 -1.71 0.00 0.00 55.69 53.00 2b7t s MET 38 Cb -0.12 -2.25 -0.05 0.00 2.01 0.00 0.00 34.83 34.42 2b7t s MET 38 CO 0.03 0.46 0.21 -1.54 -0.01 0.00 0.00 175.02 174.17 2b7t s SER 39 N -0.33 6.10 -0.09 3.03 1.04 0.02 -1.11 113.70 122.37 2b7t s SER 39 Ca 0.02 0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.57 2b7t s SER 39 Cb -0.13 -2.13 -0.02 0.00 0.10 0.00 0.00 66.02 63.85 2b7t s SER 39 CO 0.02 -0.03 -0.17 0.54 0.98 0.00 0.00 173.24 174.59 2b7t s VAL 40 N 1.54 2.78 -0.23 5.02 0.11 0.18 -0.82 120.40 128.99 2b7t s VAL 40 Ca 0.09 -0.79 -0.08 0.00 -2.93 0.00 0.00 61.98 58.28 2b7t s VAL 40 Cb -0.15 -2.11 -0.04 0.00 -1.53 0.00 0.00 36.38 32.55 2b7t s VAL 40 CO 0.09 0.55 0.08 -0.70 -3.33 0.00 0.00 175.10 171.79 2b7t s GLU 41 N -0.05 3.79 -0.01 1.54 -6.30 0.31 -0.42 118.70 117.57 2b7t s GLU 41 Ca -0.04 -0.42 0.06 0.00 -2.50 0.00 0.00 54.97 52.07 2b7t s GLU 41 Cb -0.14 -3.32 -0.08 0.00 0.00 0.00 0.00 34.13 30.59 2b7t s GLU 41 CO 0.04 -0.04 0.15 1.55 0.02 0.00 0.00 175.26 176.99 2b7t n VAL 42 N 4.48 0.00 -0.79 3.70 3.14 -0.89 -1.93 118.33 126.05 2b7t n VAL 42 Ca -0.16 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 2b7t n VAL 42 Cb 0.52 0.53 0.00 0.00 -1.06 0.00 0.00 33.84 33.83 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 -1.55 0.00 0.00 6.55 5.15 -1.26 -4.98 115.26 119.17 2b7t n ASN 43 Ca -0.00 -0.32 0.00 0.00 -0.60 0.00 0.00 54.58 53.65 2b7t n ASN 43 Cb 0.13 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.38 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 -0.14 3.28 8.20 0.00 -1.26 -5.14 105.19 110.14 2b7t n GLY 44 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.45 -0.15 1.61 0.00 -1.26 -5.16 119.66 115.14 2b7t s GLN 45 Ca 0.00 0.61 -0.08 0.00 -0.00 0.00 0.00 55.36 55.89 2b7t s GLN 45 Cb 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 33.01 33.13 2b7t s GLN 45 CO 0.00 -0.08 0.14 0.14 0.00 0.00 0.00 175.29 175.48 2b7t s VAL 46 N 0.50 5.47 -0.17 3.63 -7.23 -1.26 -2.09 120.40 119.25 2b7t s VAL 46 Ca -0.02 0.20 -0.02 0.00 -1.81 0.00 0.00 61.98 60.33 2b7t s VAL 46 Cb -0.04 -3.43 -0.01 0.00 0.56 0.00 0.00 36.38 33.46 2b7t s VAL 46 CO -0.03 0.54 -0.10 -0.36 -0.31 0.00 0.00 175.10 174.85 2b7t s PHE 47 N -0.43 2.88 -0.19 2.82 0.40 0.44 -4.83 117.98 119.07 2b7t s PHE 47 Ca 0.12 -0.80 -0.08 0.00 -0.60 0.00 0.00 56.93 55.57 2b7t s PHE 47 Cb -0.12 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.42 2b7t s PHE 47 CO 0.01 -0.36 0.07 -1.21 0.70 0.00 0.00 175.22 174.43 2b7t s GLU 48 N 0.83 4.00 -0.03 0.44 2.02 -1.26 -0.64 118.70 124.05 2b7t s GLU 48 Ca -0.03 -0.33 0.03 0.00 0.02 0.00 0.00 54.97 54.66 2b7t s GLU 48 Cb -0.15 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.83 2b7t s GLU 48 CO 0.01 0.26 -0.10 0.20 0.02 0.00 0.00 175.26 175.65 2b7t s GLY 49 N 0.40 0.57 -0.21 -1.39 0.00 -0.26 -4.75 107.32 101.67 2b7t s GLY 49 Ca 0.04 -0.37 -0.08 0.00 0.00 0.00 0.00 44.72 44.31 2b7t s GLY 49 CO 0.00 -0.13 0.07 -1.35 0.00 0.00 0.00 173.10 171.70 2b7t s SER 50 N 0.16 5.49 0.06 1.64 1.04 -1.26 -1.06 113.70 119.77 2b7t s SER 50 Ca -0.03 -0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.40 2b7t s SER 50 Cb -0.09 -1.96 -0.03 0.00 0.10 0.00 0.00 66.02 64.04 2b7t s SER 50 CO 0.01 0.09 -0.07 -0.83 0.98 0.00 0.00 173.24 173.41 2b7t s GLY 51 N 0.90 0.59 0.00 7.32 0.00 -0.34 -4.63 107.32 111.16 2b7t s GLY 51 Ca 0.04 -0.95 0.06 0.00 0.00 0.00 0.00 44.72 43.88 2b7t s GLY 51 CO 0.03 -1.01 0.78 -1.55 0.00 0.00 0.00 173.10 171.34 2b7t n PRO 52 N 1.00 0.35 -3.70 2.90 -0.04 -1.26 -1.13 135.00 133.11 2b7t n PRO 52 Ca -0.20 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.12 2b7t n PRO 52 Cb 0.56 -1.29 -0.08 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.04 0.50 0.52 -1.32 -1.26 -4.35 115.64 107.77 2b7t s THR 53 Ca 0.10 -0.34 0.29 0.00 -1.21 0.00 0.00 61.69 60.53 2b7t s THR 53 Cb 0.04 -0.71 0.47 0.00 -1.51 0.00 0.00 72.50 70.79 2b7t s THR 53 CO 0.07 -0.19 1.85 0.07 -2.21 0.00 0.00 174.62 174.22 2b7t h LYS 54 N 3.70 0.11 -0.39 7.08 2.10 -1.88 0.25 116.57 127.53 2b7t h LYS 54 Ca -0.29 -0.01 -0.12 0.00 -2.00 0.00 0.00 60.65 58.23 2b7t h LYS 54 Cb 1.17 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.46 2b7t h LYS 54 CO 0.39 0.07 -0.24 0.87 -2.00 0.00 0.00 179.45 178.54 2b7t h LYS 55 N 0.11 0.80 0.00 0.07 1.57 -1.97 -0.56 116.57 116.60 2b7t h LYS 55 Ca 0.48 -0.34 -0.18 0.00 -1.87 0.00 0.00 60.65 58.74 2b7t h LYS 55 Cb 1.72 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.97 2b7t h LYS 55 CO -0.07 0.96 -0.87 0.87 -0.57 0.00 0.00 179.45 179.77 2b7t h LYS 56 N 0.69 0.00 0.65 3.15 1.57 -1.42 -2.23 116.57 118.98 2b7t h LYS 56 Ca 0.09 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2b7t h LYS 56 Cb 0.77 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.09 2b7t h LYS 56 CO 0.06 0.87 -0.31 0.00 -0.57 0.00 0.00 179.45 179.50 2b7t h ALA 57 N 1.13 -0.87 -0.96 3.86 0.00 -0.87 -0.12 119.26 121.43 2b7t h ALA 57 Ca -0.01 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.75 2b7t h ALA 57 Cb 1.61 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 19.68 2b7t h ALA 57 CO 0.11 -0.91 0.62 1.57 0.00 0.00 0.00 179.25 180.64 2b7t h LYS 58 N -1.02 1.09 -0.02 0.00 5.09 -1.21 -0.20 116.57 120.31 2b7t h LYS 58 Ca -0.09 -0.07 0.03 0.00 0.09 0.00 0.00 60.65 60.62 2b7t h LYS 58 Cb 0.70 -0.25 -0.05 0.00 0.10 0.00 0.00 32.23 32.74 2b7t h LYS 58 CO 0.15 0.72 -0.28 1.25 -2.09 0.00 0.00 179.45 179.20 2b7t h LEU 59 N 1.13 -0.82 -0.07 7.07 5.85 -1.36 0.49 115.31 127.59 2b7t h LEU 59 Ca 0.41 0.11 0.03 0.00 0.84 0.00 0.00 57.88 59.28 2b7t h LEU 59 Cb 0.16 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 2b7t h LEU 59 CO -0.16 -0.34 -0.15 -0.74 -0.34 0.00 0.00 178.44 176.71 2b7t h HIS 60 N -0.41 -0.40 0.31 1.25 2.76 -0.52 0.98 115.15 119.11 2b7t h HIS 60 Ca 0.07 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2b7t h HIS 60 Cb 0.50 0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.62 2b7t h HIS 60 CO -0.31 -0.23 -0.39 0.00 -1.30 0.00 0.00 177.93 175.70 2b7t h ALA 61 N 0.77 -0.79 0.17 5.26 0.00 -0.93 -1.85 119.26 121.90 2b7t h ALA 61 Ca 0.07 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2b7t h ALA 61 Cb 0.32 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2b7t h ALA 61 CO -0.20 -0.99 -0.27 0.00 0.00 0.00 0.00 179.25 177.79 2b7t h ALA 62 N -0.30 -0.49 0.03 0.00 0.00 -0.77 0.18 119.26 117.91 2b7t h ALA 62 Ca -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2b7t h ALA 62 Cb 0.69 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2b7t h ALA 62 CO -0.11 -0.82 -0.30 1.49 0.00 0.00 0.00 179.25 179.51 2b7t h GLU 63 N -0.51 -0.38 -0.71 0.00 4.22 -0.73 -1.56 114.58 114.91 2b7t h GLU 63 Ca 0.02 0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.50 2b7t h GLU 63 Cb 0.51 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 2b7t h GLU 63 CO -0.13 -0.25 0.47 -0.22 -2.18 0.00 0.00 179.01 176.70 2b7t h LYS 64 N -0.39 0.88 0.46 1.92 3.64 -1.37 -1.09 116.57 120.62 2b7t h LYS 64 Ca 0.00 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2b7t h LYS 64 Cb 0.41 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2b7t h LYS 64 CO -0.18 0.58 -0.45 0.00 -2.27 0.00 0.00 179.45 177.14 2b7t h ALA 65 N 1.57 -1.12 -0.13 5.00 0.00 0.30 0.31 119.26 125.19 2b7t h ALA 65 Ca 0.27 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2b7t h ALA 65 Cb -0.03 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2b7t h ALA 65 CO -0.07 -1.14 -0.42 1.25 0.00 0.00 0.00 179.25 178.87 2b7t h LEU 66 N -0.91 0.32 0.24 0.00 6.46 -1.34 -1.63 115.31 118.45 2b7t h LEU 66 Ca -0.06 -0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.55 2b7t h LEU 66 Cb 0.78 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 2b7t h LEU 66 CO -0.05 0.71 -0.24 -0.09 -0.62 0.00 0.00 178.44 178.16 2b7t h ARG 67 N 0.25 -0.45 -0.97 1.25 2.43 -0.88 -1.09 114.38 114.91 2b7t h ARG 67 Ca 0.02 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.33 2b7t h ARG 67 Cb 0.85 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 30.43 2b7t h ARG 67 CO 0.07 -0.30 0.62 1.03 -1.51 0.00 0.00 179.97 179.88 2b7t h SER 68 N -0.47 0.91 -0.93 -3.80 0.87 -0.45 0.13 113.55 109.81 2b7t h SER 68 Ca -0.03 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2b7t h SER 68 Cb 0.41 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 2b7t h SER 68 CO -0.03 0.52 0.57 0.15 -0.53 0.00 0.00 176.83 177.51 2b7t h PHE 69 N 1.00 1.21 -0.01 2.24 3.57 -1.22 -1.48 116.94 122.25 2b7t h PHE 69 Ca 0.46 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.88 2b7t h PHE 69 Cb 0.41 -0.40 0.01 0.00 2.79 0.00 0.00 35.95 38.76 2b7t h PHE 69 CO -0.00 0.80 -0.33 0.28 -2.23 0.00 0.00 178.31 176.82 2b7t h VAL 70 N 1.27 1.50 -1.49 1.41 2.07 -0.40 -3.46 116.25 117.17 2b7t h VAL 70 Ca 0.33 -1.94 0.06 0.00 0.82 0.00 0.00 66.70 65.97 2b7t h VAL 70 Cb -0.07 2.67 -0.21 0.00 -1.52 0.00 0.00 31.29 32.16 2b7t h VAL 70 CO -0.06 0.54 -0.24 -1.58 0.02 0.00 0.00 177.57 176.25 2b7t s GLN 71 N -3.21 0.55 0.76 1.57 0.74 0.38 -5.11 119.66 115.33 2b7t s GLN 71 Ca -0.15 1.15 -0.15 0.00 0.05 0.00 0.00 55.36 56.26 2b7t s GLN 71 Cb 0.02 0.60 0.06 0.00 1.10 0.00 0.00 33.01 34.79 2b7t s GLN 71 CO 0.76 -0.45 1.23 -0.59 -0.55 0.00 0.00 175.29 175.69 2b7t s PHE 72 N 2.84 1.87 -2.00 1.67 -0.12 -0.56 -3.88 117.98 117.80 2b7t s PHE 72 Ca 0.10 1.62 0.16 0.00 -0.05 0.00 0.00 56.93 58.76 2b7t s PHE 72 Cb -0.14 -3.55 0.97 0.00 -0.63 0.00 0.00 43.02 39.67 2b7t s PHE 72 CO -0.20 -2.89 1.38 -0.35 -0.05 0.00 0.00 175.22 173.12