#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b64 s LEU 2 N 0.00 1.91 0.61 4.03 2.96 -1.26 -5.17 118.68 121.76 1b64 s LEU 2 Ca 0.00 -1.76 0.07 0.00 -0.22 0.00 0.00 54.13 52.22 1b64 s LEU 2 Cb 0.00 0.20 0.10 0.00 0.50 0.00 0.00 46.19 46.99 1b64 s LEU 2 CO 0.00 -1.03 0.85 0.54 -1.32 0.00 0.00 176.35 175.38 1b64 s VAL 3 N -3.26 2.13 0.00 1.68 0.11 -1.26 -4.91 120.40 114.89 1b64 s VAL 3 Ca 0.29 -0.90 0.00 0.00 -2.93 0.00 0.00 61.98 58.44 1b64 s VAL 3 Cb 0.01 -2.23 0.00 0.00 -1.53 0.00 0.00 36.38 32.64 1b64 s VAL 3 CO 0.21 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.98 1b64 n ALA 4 N -2.40 -2.88 -2.15 1.54 0.00 -1.26 -4.78 120.51 108.59 1b64 n ALA 4 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.40 1b64 n ALA 4 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.06 1b64 n ALA 4 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1b64 s LYS 5 N -0.58 2.59 0.23 0.00 -0.14 -1.26 0.63 119.74 121.21 1b64 s LYS 5 Ca 0.00 -1.49 -0.13 0.00 -1.36 0.00 0.00 55.97 53.00 1b64 s LYS 5 Cb 0.00 -2.51 -0.00 0.00 -1.68 0.00 0.00 37.83 33.64 1b64 s LYS 5 CO 0.00 -0.31 0.45 0.45 -0.76 0.00 0.00 175.35 175.18 1b64 s SER 6 N -4.26 -0.09 -0.08 2.83 0.15 0.37 -4.13 113.70 108.48 1b64 s SER 6 Ca 0.51 -0.89 0.01 0.00 0.70 0.00 0.00 55.95 56.27 1b64 s SER 6 Cb -0.06 0.56 -0.03 0.00 -1.71 0.00 0.00 66.02 64.79 1b64 s SER 6 CO 0.30 -1.10 -0.09 -0.55 1.20 0.00 0.00 173.24 173.00 1b64 s SER 7 N -3.00 4.43 -0.20 5.45 0.15 -0.74 -0.73 113.70 119.06 1b64 s SER 7 Ca 0.21 -0.12 -0.04 0.00 0.70 0.00 0.00 55.95 56.69 1b64 s SER 7 Cb -0.00 -1.24 0.07 0.00 -1.71 0.00 0.00 66.02 63.14 1b64 s SER 7 CO 0.07 0.30 0.09 -0.63 1.20 0.00 0.00 173.24 174.27 1b64 s ILE 8 N -0.46 0.04 -0.00 6.45 -1.09 -1.21 -3.30 121.20 121.62 1b64 s ILE 8 Ca 0.06 -0.35 -0.16 0.00 -2.23 0.00 0.00 60.65 57.97 1b64 s ILE 8 Cb -0.12 -0.74 -0.06 0.00 -1.58 0.00 0.00 42.46 39.96 1b64 s ILE 8 CO 0.02 -0.35 0.45 -0.22 -1.23 0.00 0.00 174.94 173.61 1b64 s LEU 9 N 2.07 4.46 0.29 2.97 2.96 -1.26 -3.05 118.68 127.12 1b64 s LEU 9 Ca 0.03 0.99 0.10 0.00 -0.22 0.00 0.00 54.13 55.03 1b64 s LEU 9 Cb -0.16 -2.66 -0.06 0.00 0.50 0.00 0.00 46.19 43.81 1b64 s LEU 9 CO -0.13 0.27 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.80 1b64 s LEU 10 N -0.82 2.62 -0.23 -0.68 2.96 -0.65 -1.60 118.68 120.29 1b64 s LEU 10 Ca 0.25 -1.10 -0.04 0.00 -0.22 0.00 0.00 54.13 53.02 1b64 s LEU 10 Cb -0.17 -0.98 0.09 0.00 0.50 0.00 0.00 46.19 45.64 1b64 s LEU 10 CO 0.14 -0.10 0.18 -0.62 -1.32 0.00 0.00 176.35 174.63 1b64 s ASP 11 N -3.52 2.10 -0.14 3.68 -1.08 -1.21 -2.24 116.67 114.26 1b64 s ASP 11 Ca 0.30 -0.62 -0.07 0.00 -0.52 0.00 0.00 52.55 51.64 1b64 s ASP 11 Cb -0.01 0.10 -0.04 0.00 -1.46 0.00 0.00 42.92 41.51 1b64 s ASP 11 CO 0.14 -0.37 0.11 -0.69 0.52 0.00 0.00 175.17 174.89 1b64 s VAL 12 N 2.24 5.26 -0.24 1.11 1.01 0.21 -3.04 120.40 126.95 1b64 s VAL 12 Ca 0.07 0.12 -0.12 0.00 0.00 0.00 0.00 61.98 62.05 1b64 s VAL 12 Cb -0.16 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 1b64 s VAL 12 CO -0.20 0.56 0.25 -0.75 0.00 0.00 0.00 175.10 174.95 1b64 s LYS 13 N -0.52 4.06 0.24 2.72 2.36 -1.16 -2.29 119.74 125.15 1b64 s LYS 13 Ca 0.12 -0.14 -0.30 0.00 -2.55 0.00 0.00 55.97 53.10 1b64 s LYS 13 Cb -0.12 -3.58 -0.09 0.00 -1.05 0.00 0.00 37.83 32.99 1b64 s LYS 13 CO 0.02 -0.06 1.10 -1.25 1.55 0.00 0.00 175.35 176.71 1b64 s PRO 14 N 1.40 4.63 0.41 4.03 0.04 -1.26 0.15 135.00 144.39 1b64 s PRO 14 Ca 0.11 1.76 0.25 0.00 0.04 0.00 0.00 61.00 63.16 1b64 s PRO 14 Cb -0.15 -3.22 1.32 0.00 0.04 0.00 0.00 34.50 32.49 1b64 s PRO 14 CO 0.07 0.17 1.64 -1.49 0.04 0.00 0.00 177.00 177.44 1b64 h TRP 15 N 4.29 0.65 0.00 0.56 -0.00 -0.26 -3.43 115.95 117.77 1b64 h TRP 15 Ca -0.46 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.46 1b64 h TRP 15 Cb 1.21 -0.16 0.00 0.00 -0.00 0.00 0.00 29.16 30.21 1b64 h TRP 15 CO 0.60 -0.20 0.00 -0.25 -0.00 0.00 0.00 178.44 178.59 1b64 n ASP 16 N -4.82 0.00 0.19 -3.49 9.92 -1.26 -4.96 116.55 112.13 1b64 n ASP 16 Ca 0.35 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.74 1b64 n ASP 16 Cb 1.27 0.00 0.69 0.00 -0.64 0.00 0.00 41.12 42.44 1b64 n ASP 16 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 1b64 h ASP 17 N 0.00 0.00 0.67 -2.24 2.03 -1.89 0.11 116.42 115.11 1b64 h ASP 17 Ca 0.00 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.13 1b64 h ASP 17 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 1b64 h ASP 17 CO 0.00 0.00 -0.78 1.05 -1.03 0.00 0.00 179.24 178.48 1b64 h GLU 18 N 0.00 0.08 -6.05 4.15 4.11 -1.96 -3.43 114.58 111.48 1b64 h GLU 18 Ca 0.00 -0.08 -0.57 0.00 0.07 0.00 0.00 59.36 58.78 1b64 h GLU 18 Cb 0.05 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1b64 h GLU 18 CO 0.00 0.82 1.43 0.99 0.07 0.00 0.00 179.01 182.32 1b64 s THR 19 N -3.30 3.17 0.75 -1.06 2.01 0.40 -4.91 115.64 112.69 1b64 s THR 19 Ca -0.01 0.17 -0.17 0.00 0.31 0.00 0.00 61.69 61.98 1b64 s THR 19 Cb 0.11 -3.24 -0.10 0.00 0.01 0.00 0.00 72.50 69.29 1b64 s THR 19 CO 0.80 -0.16 -0.04 0.47 -0.69 0.00 0.00 174.62 174.99 1b64 n ASP 20 N 11.60 -3.33 -0.05 3.53 8.00 -1.26 -4.89 116.55 130.15 1b64 n ASP 20 Ca 0.28 0.48 -0.07 0.00 0.71 0.00 0.00 54.79 56.19 1b64 n ASP 20 Cb 0.46 -0.98 -0.06 0.00 -0.02 0.00 0.00 41.12 40.52 1b64 n ASP 20 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1b64 n MET 21 N 0.75 1.12 0.00 -1.24 2.81 -1.26 -4.25 117.12 115.05 1b64 n MET 21 Ca 0.06 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 1b64 n MET 21 Cb 0.51 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 1b64 n MET 21 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1b64 n ALA 22 N -2.65 -0.46 -0.02 3.04 0.00 -1.26 -0.32 120.51 118.84 1b64 n ALA 22 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 1b64 n ALA 22 Cb 0.75 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.11 1b64 n ALA 22 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1b64 h LYS 23 N 0.00 -0.48 -0.96 0.00 1.79 -1.97 1.56 116.57 116.50 1b64 h LYS 23 Ca 0.00 0.03 0.28 0.00 -2.18 0.00 0.00 60.65 58.78 1b64 h LYS 23 Cb 0.00 0.11 -0.17 0.00 -1.58 0.00 0.00 32.23 30.59 1b64 h LYS 23 CO 0.00 -0.32 0.12 1.25 -1.08 0.00 0.00 179.45 179.42 1b64 h LEU 24 N -0.50 -0.30 0.40 2.94 6.46 -1.74 1.42 115.31 123.99 1b64 h LEU 24 Ca 0.03 0.26 -0.02 0.00 -0.12 0.00 0.00 57.88 58.03 1b64 h LEU 24 Cb 0.59 0.42 0.00 0.00 -0.73 0.00 0.00 40.66 40.95 1b64 h LEU 24 CO -0.40 -0.33 -0.19 -0.08 -0.62 0.00 0.00 178.44 176.83 1b64 h GLU 25 N 0.04 -0.51 -0.63 1.25 4.81 0.21 -3.01 114.58 116.74 1b64 h GLU 25 Ca 0.61 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.99 1b64 h GLU 25 Cb 1.31 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 30.69 1b64 h GLU 25 CO -0.85 -0.34 -0.30 0.93 -0.73 0.00 0.00 179.01 177.71 1b64 h GLU 26 N -0.97 -0.12 -0.79 1.92 4.39 0.37 0.13 114.58 119.52 1b64 h GLU 26 Ca -0.05 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.77 1b64 h GLU 26 Cb 0.41 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 28.96 1b64 h GLU 26 CO 0.09 -0.08 -0.43 0.00 -1.16 0.00 0.00 179.01 177.43 1b64 h VAL 28 N -0.11 0.42 0.05 0.00 2.07 -0.62 0.16 116.25 118.21 1b64 h VAL 28 Ca 0.24 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 1b64 h VAL 28 Cb 0.55 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1b64 h VAL 28 CO -0.83 0.07 -0.02 0.03 0.02 0.00 0.00 177.57 176.84 1b64 h ARG 29 N 0.36 -0.06 -0.94 1.57 3.08 0.25 -3.14 114.38 115.50 1b64 h ARG 29 Ca 0.60 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.79 1b64 h ARG 29 Cb 1.19 0.01 -0.15 0.00 0.08 0.00 0.00 29.97 31.11 1b64 h ARG 29 CO -0.56 0.23 -0.39 -1.13 -1.07 0.00 0.00 179.97 177.04 1b64 n SER 30 N -4.98 -0.66 -4.38 7.04 3.41 0.13 -4.48 113.62 109.69 1b64 n SER 30 Ca -0.08 1.65 -0.47 0.00 -0.26 0.00 0.00 58.87 59.71 1b64 n SER 30 Cb 0.17 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 1b64 n SER 30 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1b64 n ILE 31 N -5.36 1.76 -3.68 -1.33 5.41 -0.90 -4.97 119.36 110.28 1b64 n ILE 31 Ca 0.09 -0.50 -0.15 0.00 1.00 0.00 0.00 62.75 63.19 1b64 n ILE 31 Cb 0.36 -0.02 -0.08 0.00 -0.71 0.00 0.00 39.64 39.20 1b64 n ILE 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1b64 s GLN 32 N -1.01 0.77 0.02 0.38 2.00 -1.26 -4.92 119.66 115.63 1b64 s GLN 32 Ca 0.63 0.05 -0.26 0.00 -2.00 0.00 0.00 55.36 53.78 1b64 s GLN 32 Cb -0.87 0.35 0.06 0.00 0.80 0.00 0.00 33.01 33.35 1b64 s GLN 32 CO 0.57 -0.21 0.60 0.00 -0.50 0.00 0.00 175.29 175.75 1b64 s ALA 33 N -1.07 -1.55 0.11 1.58 0.00 -1.25 -4.99 121.76 114.59 1b64 s ALA 33 Ca -0.11 0.90 -0.29 0.00 0.00 0.00 0.00 51.96 52.47 1b64 s ALA 33 Cb -0.03 0.27 -0.10 0.00 0.00 0.00 0.00 23.12 23.26 1b64 s ALA 33 CO 0.05 -0.47 1.62 0.22 0.00 0.00 0.00 175.76 177.18 1b64 h ASP 34 N 2.81 -0.89 -0.19 0.00 1.82 -2.02 -0.05 116.42 117.91 1b64 h ASP 34 Ca -0.29 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.44 1b64 h ASP 34 Cb 1.19 0.33 0.00 0.00 0.68 0.00 0.00 39.33 41.53 1b64 h ASP 34 CO 0.40 -0.41 0.00 0.61 -1.61 0.00 0.00 179.24 178.22 1b64 n GLY 35 N -1.42 1.21 3.18 -0.78 0.00 -1.26 -4.55 105.19 101.57 1b64 n GLY 35 Ca -0.07 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 1b64 n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1b64 s LEU 36 N -0.90 2.12 -0.17 0.99 0.20 -0.03 -1.70 118.68 119.19 1b64 s LEU 36 Ca 0.16 -0.59 -0.01 0.00 0.69 0.00 0.00 54.13 54.38 1b64 s LEU 36 Cb 0.11 -1.44 0.04 0.00 -0.43 0.00 0.00 46.19 44.47 1b64 s LEU 36 CO 0.07 0.10 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.50 1b64 s VAL 37 N 0.72 1.02 0.35 1.68 1.01 0.01 -3.88 120.40 121.31 1b64 s VAL 37 Ca -0.09 -0.62 -0.26 0.00 0.00 0.00 0.00 61.98 61.01 1b64 s VAL 37 Cb -0.16 -1.25 -0.09 0.00 0.00 0.00 0.00 36.38 34.88 1b64 s VAL 37 CO 0.00 0.07 1.01 0.26 0.00 0.00 0.00 175.10 176.45 1b64 s TRP 38 N 1.67 3.50 0.00 5.22 0.23 -1.26 0.19 118.94 128.48 1b64 s TRP 38 Ca 0.00 1.71 0.00 0.00 -2.03 0.00 0.00 56.10 55.79 1b64 s TRP 38 Cb -0.16 -3.07 0.00 0.00 0.03 0.00 0.00 33.47 30.28 1b64 s TRP 38 CO -0.07 -0.26 0.00 0.41 0.96 0.00 0.00 176.95 177.98 1b64 n GLY 39 N 0.57 1.00 3.04 0.98 0.00 -1.16 -4.85 105.19 104.77 1b64 n GLY 39 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1b64 n GLY 39 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1b64 s SER 40 N 0.97 -0.22 0.65 1.61 0.15 -1.24 -5.03 113.70 110.58 1b64 s SER 40 Ca 0.00 0.45 -0.03 0.00 0.70 0.00 0.00 55.95 57.07 1b64 s SER 40 Cb 0.00 0.37 0.06 0.00 -1.71 0.00 0.00 66.02 64.74 1b64 s SER 40 CO 0.00 -0.14 0.93 -0.94 1.20 0.00 0.00 173.24 174.29 1b64 s SER 41 N 0.92 4.93 0.09 5.45 1.04 -1.26 -3.16 113.70 121.70 1b64 s SER 41 Ca -0.07 0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.61 1b64 s SER 41 Cb -0.08 -0.93 -0.04 0.00 0.10 0.00 0.00 66.02 65.07 1b64 s SER 41 CO -0.06 -1.46 -0.08 -1.59 0.98 0.00 0.00 173.24 171.03 1b64 s LYS 42 N -5.07 0.77 0.19 4.02 -2.85 -1.01 -4.89 119.74 110.90 1b64 s LYS 42 Ca 0.60 -1.16 0.11 0.00 -1.00 0.00 0.00 55.97 54.52 1b64 s LYS 42 Cb -0.10 -0.30 -0.04 0.00 -2.06 0.00 0.00 37.83 35.33 1b64 s LYS 42 CO 0.42 0.02 -0.23 -0.51 0.10 0.00 0.00 175.35 175.16 1b64 s LEU 43 N -2.57 2.48 -0.23 2.77 2.01 -1.26 -3.33 118.68 118.55 1b64 s LEU 43 Ca 0.05 -0.84 -0.04 0.00 0.01 0.00 0.00 54.13 53.32 1b64 s LEU 43 Cb -0.00 -1.22 0.12 0.00 0.01 0.00 0.00 46.19 45.10 1b64 s LEU 43 CO -0.02 0.12 0.40 -0.69 1.01 0.00 0.00 176.35 177.16 1b64 s VAL 44 N -1.67 -0.63 0.24 -1.59 1.01 -1.26 -4.97 120.40 111.53 1b64 s VAL 44 Ca 0.21 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1b64 s VAL 44 Cb -0.08 -0.77 -0.09 0.00 0.00 0.00 0.00 36.38 35.44 1b64 s VAL 44 CO 0.10 -0.06 1.09 -2.16 0.00 0.00 0.00 175.10 174.08 1b64 s PRO 45 N 2.58 4.64 0.00 2.72 0.04 -1.26 0.96 135.00 144.67 1b64 s PRO 45 Ca 0.09 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1b64 s PRO 45 Cb -0.14 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1b64 s PRO 45 CO -0.15 0.18 0.00 1.55 0.04 0.00 0.00 177.00 178.62 1b64 n VAL 46 N 1.61 0.00 -3.58 -0.36 3.14 -0.40 -4.90 118.33 113.84 1b64 n VAL 46 Ca 0.00 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.11 1b64 n VAL 46 Cb 0.45 -0.87 -0.09 0.00 -1.06 0.00 0.00 33.84 32.27 1b64 n VAL 46 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1b64 n GLY 47 N 5.00 4.26 0.00 7.55 0.00 -1.26 -4.65 105.19 116.09 1b64 n GLY 47 Ca 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 46.02 43.47 1b64 n GLY 47 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1b64 n TYR 48 N 1.38 0.00 0.00 1.61 4.19 -1.26 -4.97 117.16 118.11 1b64 n TYR 48 Ca 0.26 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.47 1b64 n TYR 48 Cb 0.40 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.23 1b64 n TYR 48 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1b64 n GLY 49 N 0.00 0.56 3.91 2.98 0.00 -1.26 -5.14 105.19 106.23 1b64 n GLY 49 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1b64 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b64 s ILE 50 N 0.00 3.54 0.14 -0.61 1.09 -1.26 -4.86 121.20 119.23 1b64 s ILE 50 Ca 0.00 0.14 0.04 0.00 -1.10 0.00 0.00 60.65 59.73 1b64 s ILE 50 Cb 0.00 -3.44 -0.04 0.00 -1.06 0.00 0.00 42.46 37.92 1b64 s ILE 50 CO 0.00 -0.49 -0.10 -0.54 -0.10 0.00 0.00 174.94 173.70 1b64 s LYS 51 N -5.12 1.02 0.40 2.79 3.01 -1.26 -1.28 119.74 119.30 1b64 s LYS 51 Ca 0.55 -1.39 -0.14 0.00 -1.01 0.00 0.00 55.97 53.99 1b64 s LYS 51 Cb -0.11 -0.62 -0.08 0.00 -1.01 0.00 0.00 37.83 36.02 1b64 s LYS 51 CO 0.47 0.08 0.80 0.21 0.51 0.00 0.00 175.35 177.43 1b64 s LYS 52 N -3.54 3.91 -0.73 1.68 2.20 0.27 -4.64 119.74 118.89 1b64 s LYS 52 Ca 0.14 0.65 0.04 0.00 -0.36 0.00 0.00 55.97 56.44 1b64 s LYS 52 Cb 0.01 -2.35 0.27 0.00 -1.51 0.00 0.00 37.83 34.26 1b64 s LYS 52 CO 0.00 -0.01 0.95 -0.11 -0.36 0.00 0.00 175.35 175.82 1b64 n LEU 53 N -1.00 4.47 -4.89 5.43 -0.00 -0.97 -4.13 117.00 115.91 1b64 n LEU 53 Ca 0.04 -5.44 -0.32 0.00 -0.00 0.00 0.00 56.01 50.29 1b64 n LEU 53 Cb 0.54 -0.78 -0.05 0.00 -0.00 0.00 0.00 43.42 43.13 1b64 n LEU 53 CO 0.45 2.03 0.03 -1.10 -0.00 0.00 0.00 177.39 178.80 1b64 s GLN 54 N -2.73 3.63 0.09 1.96 -0.21 -1.21 -0.62 119.66 120.58 1b64 s GLN 54 Ca 0.39 -0.05 -0.15 0.00 0.02 0.00 0.00 55.36 55.57 1b64 s GLN 54 Cb 0.15 -2.89 0.03 0.00 1.00 0.00 0.00 33.01 31.30 1b64 s GLN 54 CO -0.01 0.49 0.36 0.96 -2.12 0.00 0.00 175.29 174.97 1b64 s ILE 55 N -1.60 0.08 0.03 1.08 -0.00 -0.95 -2.40 121.20 117.44 1b64 s ILE 55 Ca 0.39 -0.66 0.06 0.00 -0.00 0.00 0.00 60.65 60.44 1b64 s ILE 55 Cb -0.12 -1.12 -0.02 0.00 -0.00 0.00 0.00 42.46 41.19 1b64 s ILE 55 CO 0.23 -0.37 -0.18 -1.58 -0.00 0.00 0.00 174.94 173.04 1b64 s GLN 56 N -3.38 1.26 0.09 0.37 2.00 -1.19 -1.63 119.66 117.18 1b64 s GLN 56 Ca 0.01 -0.83 0.02 0.00 -2.00 0.00 0.00 55.36 52.55 1b64 s GLN 56 Cb 0.01 -1.32 -0.01 0.00 0.80 0.00 0.00 33.01 32.50 1b64 s GLN 56 CO -0.09 0.34 0.07 0.00 -0.50 0.00 0.00 175.29 175.11 1b64 s VAL 58 N -2.31 -0.19 0.64 0.00 1.01 0.50 -3.34 120.40 116.71 1b64 s VAL 58 Ca 0.10 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 1b64 s VAL 58 Cb 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.44 1b64 s VAL 58 CO 0.07 -0.65 0.96 0.68 0.00 0.00 0.00 175.10 176.16 1b64 s VAL 59 N 2.00 3.31 -0.59 2.92 -7.23 0.09 -0.81 120.40 120.09 1b64 s VAL 59 Ca 0.11 0.03 -0.20 0.00 -1.81 0.00 0.00 61.98 60.10 1b64 s VAL 59 Cb -0.16 -3.36 0.08 0.00 0.56 0.00 0.00 36.38 33.50 1b64 s VAL 59 CO -0.27 -0.39 0.78 -0.70 -0.31 0.00 0.00 175.10 174.21 1b64 s GLU 60 N -5.12 3.10 1.34 4.82 2.12 -0.69 0.14 118.70 124.42 1b64 s GLU 60 Ca 0.56 -1.03 0.00 0.00 0.36 0.00 0.00 54.97 54.86 1b64 s GLU 60 Cb -0.11 -4.21 0.00 0.00 0.26 0.00 0.00 34.13 30.07 1b64 s GLU 60 CO 0.46 -1.56 0.00 -3.47 -0.54 0.00 0.00 175.26 170.15 1b64 n ASP 61 N 6.78 0.00 -0.81 -1.70 2.03 0.20 0.48 116.55 123.53 1b64 n ASP 61 Ca -0.07 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.23 1b64 n ASP 61 Cb 0.44 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.83 1b64 n ASP 61 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1b64 n ASP 62 N 2.33 -0.08 0.06 1.67 2.03 -1.26 -4.64 116.55 116.66 1b64 n ASP 62 Ca 0.00 -1.67 -0.20 0.00 0.52 0.00 0.00 54.79 53.44 1b64 n ASP 62 Cb 0.00 -0.02 -0.15 0.00 -0.72 0.00 0.00 41.12 40.24 1b64 n ASP 62 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1b64 h LYS 63 N 0.18 0.31 -5.73 -0.67 6.56 -0.36 -3.45 116.57 113.42 1b64 h LYS 63 Ca -0.19 -0.54 -0.66 0.00 -1.06 0.00 0.00 60.65 58.20 1b64 h LYS 63 Cb 1.36 0.20 -0.20 0.00 -0.57 0.00 0.00 32.23 33.02 1b64 h LYS 63 CO -0.06 1.20 -0.68 0.08 -2.06 0.00 0.00 179.45 177.93 1b64 s VAL 64 N -2.59 3.77 0.31 0.50 1.01 -1.25 -4.99 120.40 117.16 1b64 s VAL 64 Ca -0.13 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.46 1b64 s VAL 64 Cb 0.06 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1b64 s VAL 64 CO 0.85 0.55 0.21 -0.83 0.00 0.00 0.00 175.10 175.88 1b64 s GLY 65 N -0.26 2.17 0.00 4.51 0.00 -1.26 -4.45 107.32 108.03 1b64 s GLY 65 Ca 0.04 -1.83 -0.04 0.00 0.00 0.00 0.00 44.72 42.89 1b64 s GLY 65 CO 0.02 -1.54 2.72 -0.37 0.00 0.00 0.00 173.10 173.94 1b64 n THR 66 N -0.60 2.26 -0.05 0.90 5.66 -1.26 -4.03 114.28 117.17 1b64 n THR 66 Ca 0.03 -1.03 -0.04 0.00 -3.05 0.00 0.00 64.05 59.96 1b64 n THR 66 Cb 0.64 -1.79 -0.01 0.00 -1.55 0.00 0.00 70.33 67.62 1b64 n THR 66 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1b64 n ASP 67 N 2.35 1.07 -0.13 1.09 5.75 -1.26 -3.67 116.55 121.74 1b64 n ASP 67 Ca 0.27 0.29 -0.11 0.00 -0.01 0.00 0.00 54.79 55.23 1b64 n ASP 67 Cb 0.67 -0.66 -0.02 0.00 -1.03 0.00 0.00 41.12 40.08 1b64 n ASP 67 CO 0.00 0.00 0.00 -0.03 -0.11 0.00 0.00 177.20 177.06 1b64 h MET 68 N -0.56 0.80 -0.29 0.11 4.05 -1.99 -1.89 114.93 115.16 1b64 h MET 68 Ca 0.00 -0.33 0.00 0.00 -0.28 0.00 0.00 59.70 59.09 1b64 h MET 68 Cb 0.46 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 1b64 h MET 68 CO 0.00 0.95 0.18 1.37 0.23 0.00 0.00 176.91 179.65 1b64 h LEU 69 N 0.61 0.34 0.31 3.39 8.10 -1.82 -1.35 115.31 124.90 1b64 h LEU 69 Ca 0.09 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 58.06 1b64 h LEU 69 Cb 0.69 -0.09 -0.02 0.00 -0.44 0.00 0.00 40.66 40.80 1b64 h LEU 69 CO 0.05 0.27 -0.33 -0.08 -4.11 0.00 0.00 178.44 174.24 1b64 h GLU 70 N 0.38 -0.65 0.00 0.17 4.81 -1.61 1.77 114.58 119.45 1b64 h GLU 70 Ca 0.10 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1b64 h GLU 70 Cb -0.02 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1b64 h GLU 70 CO -0.02 -0.43 0.11 0.93 -0.73 0.00 0.00 179.01 178.87 1b64 h GLU 71 N -0.68 0.00 0.02 1.92 4.39 -1.16 1.45 114.58 120.52 1b64 h GLU 71 Ca -0.01 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.32 1b64 h GLU 71 Cb 0.62 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.22 1b64 h GLU 71 CO -0.07 0.00 -2.07 0.94 -1.16 0.00 0.00 179.01 176.65 1b64 n GLN 72 N -2.37 0.62 0.09 2.33 7.27 0.21 -3.28 117.38 122.25 1b64 n GLN 72 Ca -0.02 0.34 -0.06 0.00 0.07 0.00 0.00 57.00 57.33 1b64 n GLN 72 Cb 0.15 -1.61 -0.03 0.00 2.41 0.00 0.00 30.24 31.16 1b64 n GLN 72 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1b64 h ILE 73 N -0.66 0.16 0.00 1.69 2.04 0.37 -3.19 117.51 117.92 1b64 h ILE 73 Ca -0.54 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 64.48 1b64 h ILE 73 Cb 1.64 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1b64 h ILE 73 CO -0.23 0.05 0.00 0.35 0.00 0.00 0.00 178.15 178.32 1b64 n THR 74 N -4.98 1.11 0.31 -0.27 -2.24 0.49 -2.47 114.28 106.23 1b64 n THR 74 Ca -0.05 0.28 0.16 0.00 -2.27 0.00 0.00 64.05 62.17 1b64 n THR 74 Cb 0.16 -1.11 0.82 0.00 -2.10 0.00 0.00 70.33 68.10 1b64 n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b64 h ALA 75 N 2.39 1.42 -2.46 6.98 0.00 -1.51 -3.22 119.26 122.86 1b64 h ALA 75 Ca 0.00 -0.00 -0.77 0.00 0.00 0.00 0.00 54.91 54.14 1b64 h ALA 75 Cb 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.69 1b64 h ALA 75 CO 0.00 -0.36 0.49 -0.06 0.00 0.00 0.00 179.25 179.32 1b64 s PHE 76 N -4.17 3.81 -1.54 0.00 0.08 -1.03 -4.82 117.98 110.31 1b64 s PHE 76 Ca -0.04 -2.16 0.18 0.00 0.12 0.00 0.00 56.93 55.04 1b64 s PHE 76 Cb 0.10 -3.96 0.94 0.00 -0.57 0.00 0.00 43.02 39.53 1b64 s PHE 76 CO 0.31 -1.10 1.53 0.39 -0.10 0.00 0.00 175.22 176.25 1b64 n GLU 77 N 4.15 0.32 -0.65 0.44 -0.58 -1.22 -0.94 120.64 122.15 1b64 n GLU 77 Ca 0.22 0.09 0.06 0.00 -0.42 0.00 0.00 57.16 57.11 1b64 n GLU 77 Cb 0.44 -1.50 0.30 0.00 -0.57 0.00 0.00 31.44 30.12 1b64 n GLU 77 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1b64 n ASP 78 N -1.23 4.47 0.00 1.62 2.03 -1.26 -4.37 116.55 117.81 1b64 n ASP 78 Ca 0.10 -2.65 0.00 0.00 0.52 0.00 0.00 54.79 52.76 1b64 n ASP 78 Cb 0.13 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 1b64 n ASP 78 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1b64 n TYR 79 N 0.54 -0.70 -2.93 -0.67 4.01 -0.83 -4.97 117.16 111.62 1b64 n TYR 79 Ca 0.21 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.54 1b64 n TYR 79 Cb 0.93 0.20 -0.04 0.00 -0.31 0.00 0.00 39.34 40.12 1b64 n TYR 79 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1b64 s VAL 80 N -1.41 4.93 -0.02 -0.72 1.01 -0.12 0.48 120.40 124.55 1b64 s VAL 80 Ca 0.00 1.59 -0.07 0.00 0.00 0.00 0.00 61.98 63.50 1b64 s VAL 80 Cb 0.00 -4.12 -0.30 0.00 0.00 0.00 0.00 36.38 31.97 1b64 s VAL 80 CO 0.00 0.10 0.76 -0.61 0.00 0.00 0.00 175.10 175.34 1b64 h GLN 81 N 7.15 0.34 0.00 2.72 4.15 0.11 -3.42 115.11 126.15 1b64 h GLN 81 Ca -0.33 -0.57 0.00 0.00 0.77 0.00 0.00 58.65 58.51 1b64 h GLN 81 Cb 1.16 0.21 0.00 0.00 0.21 0.00 0.00 27.48 29.06 1b64 h GLN 81 CO 0.80 1.23 0.00 0.43 -1.93 0.00 0.00 178.83 179.36 1b64 n SER 82 N -3.53 0.00 -4.88 -0.69 7.64 -1.23 -5.01 113.62 105.93 1b64 n SER 82 Ca -0.21 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.36 1b64 n SER 82 Cb 1.06 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 64.21 1b64 n SER 82 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1b64 s MET 83 N 0.00 3.78 0.13 1.43 1.75 -1.26 -3.00 119.30 122.14 1b64 s MET 83 Ca 0.00 0.26 -0.03 0.00 -1.25 0.00 0.00 55.69 54.67 1b64 s MET 83 Cb 0.00 -2.63 0.01 0.00 2.84 0.00 0.00 34.83 35.06 1b64 s MET 83 CO 0.00 0.28 0.23 -0.25 -0.65 0.00 0.00 175.02 174.63 1b64 n ASP 84 N -0.31 -0.65 -4.75 1.11 8.00 -1.17 -5.04 116.55 113.74 1b64 n ASP 84 Ca 0.00 -1.63 -0.30 0.00 0.71 0.00 0.00 54.79 53.57 1b64 n ASP 84 Cb 0.53 1.13 -0.07 0.00 -0.02 0.00 0.00 41.12 42.69 1b64 n ASP 84 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1b64 s VAL 85 N -2.62 4.40 -0.06 2.53 0.11 -1.26 -3.32 120.40 120.18 1b64 s VAL 85 Ca 0.08 -0.83 0.17 0.00 -2.93 0.00 0.00 61.98 58.47 1b64 s VAL 85 Cb -0.01 -3.12 -0.25 0.00 -1.53 0.00 0.00 36.38 31.47 1b64 s VAL 85 CO 0.06 0.12 0.29 0.00 -3.33 0.00 0.00 175.10 172.24 1b64 n ALA 86 N 0.47 2.36 0.00 1.54 0.00 -0.63 -4.78 120.51 119.47 1b64 n ALA 86 Ca -0.09 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1b64 n ALA 86 Cb 0.52 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1b64 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b64 n ALA 87 N -2.24 0.00 -3.30 0.00 0.00 -1.23 -4.98 120.51 108.76 1b64 n ALA 87 Ca -0.10 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.26 1b64 n ALA 87 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.01 1b64 n ALA 87 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1b64 s PHE 88 N -2.00 -1.00 0.29 0.00 5.36 -1.26 -4.24 117.98 115.13 1b64 s PHE 88 Ca 0.00 0.21 -0.10 0.00 -0.96 0.00 0.00 56.93 56.08 1b64 s PHE 88 Cb 0.00 -0.14 0.00 0.00 -0.34 0.00 0.00 43.02 42.54 1b64 s PHE 88 CO 0.00 -1.00 0.51 1.21 -1.46 0.00 0.00 175.22 174.48 1b64 s ASN 89 N 2.38 0.25 0.88 6.13 2.47 -1.21 -5.11 114.94 120.74 1b64 s ASN 89 Ca 0.11 -1.14 -0.13 0.00 0.42 0.00 0.00 52.86 52.12 1b64 s ASN 89 Cb -0.12 0.64 0.12 0.00 -1.45 0.00 0.00 41.25 40.44 1b64 s ASN 89 CO -0.26 -1.25 1.18 -0.54 -3.72 0.00 0.00 177.10 172.50 1b64 s LYS 90 N -3.50 1.40 0.00 0.43 1.02 -1.26 -1.79 119.74 116.04 1b64 s LYS 90 Ca 0.25 0.13 0.05 0.00 0.02 0.00 0.00 55.97 56.41 1b64 s LYS 90 Cb -0.01 -1.88 0.04 0.00 -0.52 0.00 0.00 37.83 35.46 1b64 s LYS 90 CO 0.13 -1.98 0.67 1.51 -0.92 0.00 0.00 175.35 174.75