#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b64 n LEU 2 N 0.00 -3.65 -3.62 4.03 7.94 -1.26 -5.00 117.00 115.44 1b64 n LEU 2 Ca 0.00 -0.67 -0.15 0.00 -1.11 0.00 0.00 56.01 54.08 1b64 n LEU 2 Cb 0.00 -2.28 -0.07 0.00 0.53 0.00 0.00 43.42 41.60 1b64 n LEU 2 CO 0.00 -0.12 0.24 0.54 -1.11 0.00 0.00 177.39 176.94 1b64 s VAL 3 N -3.05 0.03 -0.81 1.96 0.11 -1.26 -4.96 120.40 112.42 1b64 s VAL 3 Ca 0.05 -0.25 -0.04 0.00 -2.93 0.00 0.00 61.98 58.82 1b64 s VAL 3 Cb -0.02 -0.86 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 1b64 s VAL 3 CO 0.84 -0.14 0.70 0.00 -3.33 0.00 0.00 175.10 173.18 1b64 n ALA 4 N 0.89 -1.89 -2.54 1.54 0.00 -1.26 -4.90 120.51 112.35 1b64 n ALA 4 Ca -0.20 0.07 -0.27 0.00 0.00 0.00 0.00 53.44 53.05 1b64 n ALA 4 Cb 0.58 -3.95 -0.09 0.00 0.00 0.00 0.00 19.45 15.99 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 -4.25 2.09 0.21 0.00 -0.14 -1.26 -1.29 119.74 115.10 1b64 s LYS 5 Ca 0.27 -2.01 -0.17 0.00 -1.36 0.00 0.00 55.97 52.70 1b64 s LYS 5 Cb -0.04 -1.79 0.02 0.00 -1.68 0.00 0.00 37.83 34.35 1b64 s LYS 5 CO 0.55 -0.10 0.54 0.45 -0.76 0.00 0.00 175.35 176.03 1b64 s SER 6 N -3.81 -0.24 0.02 2.83 0.15 0.12 -4.02 113.70 108.74 1b64 s SER 6 Ca 0.36 -0.54 0.09 0.00 0.70 0.00 0.00 55.95 56.56 1b64 s SER 6 Cb 0.07 0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 64.95 1b64 s SER 6 CO 0.19 -1.09 -0.26 -0.55 1.20 0.00 0.00 173.24 172.73 1b64 s SER 7 N -2.89 3.13 -0.09 5.45 0.15 -0.90 -1.41 113.70 117.14 1b64 s SER 7 Ca 0.11 -0.54 -0.03 0.00 0.70 0.00 0.00 55.95 56.19 1b64 s SER 7 Cb -0.01 -0.32 0.04 0.00 -1.71 0.00 0.00 66.02 64.02 1b64 s SER 7 CO -0.01 0.29 0.07 -0.63 1.20 0.00 0.00 173.24 174.16 1b64 s ILE 8 N -0.72 -0.09 -0.30 6.45 1.09 -1.24 -3.22 121.20 123.16 1b64 s ILE 8 Ca 0.11 0.20 -0.23 0.00 -1.10 0.00 0.00 60.65 59.63 1b64 s ILE 8 Cb -0.10 -0.32 -0.00 0.00 -1.06 0.00 0.00 42.46 40.98 1b64 s ILE 8 CO 0.01 0.01 0.76 -0.22 -0.10 0.00 0.00 174.94 175.39 1b64 s LEU 9 N 2.15 4.09 0.13 2.97 2.96 -1.25 -3.41 118.68 126.32 1b64 s LEU 9 Ca 0.04 0.66 0.02 0.00 -0.22 0.00 0.00 54.13 54.62 1b64 s LEU 9 Cb -0.14 -3.03 -0.04 0.00 0.50 0.00 0.00 46.19 43.49 1b64 s LEU 9 CO -0.05 -0.57 0.27 -0.76 -1.32 0.00 0.00 176.35 173.92 1b64 s LEU 10 N 2.86 4.34 -0.33 -0.68 1.02 -0.45 -0.83 118.68 124.62 1b64 s LEU 10 Ca 0.31 0.21 -0.02 0.00 0.02 0.00 0.00 54.13 54.66 1b64 s LEU 10 Cb -0.14 -2.94 0.12 0.00 0.02 0.00 0.00 46.19 43.25 1b64 s LEU 10 CO 0.12 0.08 0.17 -0.62 0.02 0.00 0.00 176.35 176.12 1b64 s ASP 11 N -3.02 3.32 0.28 2.29 -1.08 -1.21 -1.82 116.67 115.44 1b64 s ASP 11 Ca 0.35 -1.81 -0.18 0.00 -0.52 0.00 0.00 52.55 50.39 1b64 s ASP 11 Cb -0.12 -0.45 -0.09 0.00 -1.46 0.00 0.00 42.92 40.80 1b64 s ASP 11 CO 0.28 -0.37 0.75 -0.69 0.52 0.00 0.00 175.17 175.67 1b64 s VAL 12 N 1.48 4.59 -0.19 1.11 1.01 0.34 -3.39 120.40 125.35 1b64 s VAL 12 Ca 0.14 1.17 -0.02 0.00 0.00 0.00 0.00 61.98 63.27 1b64 s VAL 12 Cb -0.20 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.44 1b64 s VAL 12 CO -0.16 -0.00 -0.10 -0.75 0.00 0.00 0.00 175.10 174.09 1b64 s LYS 13 N -2.49 3.30 0.13 2.72 2.36 -1.25 -2.56 119.74 121.95 1b64 s LYS 13 Ca 0.49 -0.68 -0.30 0.00 -2.55 0.00 0.00 55.97 52.93 1b64 s LYS 13 Cb -0.13 -2.83 -0.07 0.00 -1.05 0.00 0.00 37.83 33.75 1b64 s LYS 13 CO 0.19 -0.10 1.13 -1.25 1.55 0.00 0.00 175.35 176.87 1b64 s PRO 14 N 1.18 4.53 0.37 4.03 0.04 -1.26 0.18 135.00 144.06 1b64 s PRO 14 Ca 0.02 1.74 0.19 0.00 0.04 0.00 0.00 61.00 62.98 1b64 s PRO 14 Cb -0.14 -3.30 1.22 0.00 0.04 0.00 0.00 34.50 32.31 1b64 s PRO 14 CO -0.03 -0.05 1.64 -1.49 0.04 0.00 0.00 177.00 177.10 1b64 h TRP 15 N 5.73 0.83 -1.99 0.56 4.06 -0.86 -3.43 115.95 120.85 1b64 h TRP 15 Ca -0.43 0.04 0.34 0.00 2.06 0.00 0.00 58.89 60.90 1b64 h TRP 15 Cb 1.21 -0.21 -0.08 0.00 -1.00 0.00 0.00 29.16 29.08 1b64 h TRP 15 CO 0.64 -0.26 0.89 -0.51 -3.56 0.00 0.00 178.44 175.64 1b64 s ASP 16 N -4.74 -0.00 0.55 -3.49 1.11 -1.26 -4.98 116.67 103.86 1b64 s ASP 16 Ca -0.09 -0.18 0.34 0.00 0.18 0.00 0.00 52.55 52.79 1b64 s ASP 16 Cb 0.31 0.14 1.50 0.00 1.07 0.00 0.00 42.92 45.94 1b64 s ASP 16 CO 0.79 -0.28 1.82 -2.24 1.18 0.00 0.00 175.17 176.44 1b64 h ASP 17 N 2.00 0.00 -0.77 0.27 3.04 -1.85 0.52 116.42 119.63 1b64 h ASP 17 Ca -0.24 0.00 0.09 0.00 -3.24 0.00 0.00 57.03 53.64 1b64 h ASP 17 Cb 1.19 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 39.41 1b64 h ASP 17 CO 0.31 0.00 0.42 1.05 -2.04 0.00 0.00 179.24 178.98 1b64 h GLU 18 N 0.00 0.69 -5.49 4.15 4.11 -1.93 -3.39 114.58 112.72 1b64 h GLU 18 Ca 0.47 -0.04 -0.44 0.00 0.07 0.00 0.00 59.36 59.41 1b64 h GLU 18 Cb 1.98 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 31.06 1b64 h GLU 18 CO -0.00 0.46 1.59 2.41 0.07 0.00 0.00 179.01 183.53 1b64 n THR 19 N -4.79 -0.07 -1.47 -1.06 -1.04 0.18 -4.85 114.28 101.18 1b64 n THR 19 Ca 0.12 -0.66 -0.44 0.00 -2.04 0.00 0.00 64.05 61.02 1b64 n THR 19 Cb 0.27 -2.39 -0.01 0.00 -1.82 0.00 0.00 70.33 66.38 1b64 n THR 19 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1b64 n ASP 20 N 15.17 -0.46 -0.02 8.00 8.00 -1.26 -4.87 116.55 141.09 1b64 n ASP 20 Ca 0.42 1.05 0.10 0.00 0.71 0.00 0.00 54.79 57.07 1b64 n ASP 20 Cb 0.46 -1.10 -0.11 0.00 -0.02 0.00 0.00 41.12 40.34 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 0.79 0.22 0.02 -1.24 2.81 -1.26 -3.20 117.12 115.26 1b64 n MET 21 Ca 0.13 -0.05 -0.09 0.00 -1.81 0.00 0.00 57.70 55.88 1b64 n MET 21 Cb 0.33 -1.48 -0.13 0.00 -0.71 0.00 0.00 33.22 31.23 1b64 n MET 21 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1b64 h ALA 22 N 2.97 0.57 0.04 3.04 0.00 -1.97 -2.74 119.26 121.16 1b64 h ALA 22 Ca 0.00 -1.22 -0.20 0.00 0.00 0.00 0.00 54.91 53.49 1b64 h ALA 22 Cb 0.50 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1b64 h ALA 22 CO 0.00 1.42 -1.06 0.87 0.00 0.00 0.00 179.25 180.48 1b64 h LYS 23 N 0.01 0.08 -0.84 0.00 1.79 -1.96 -2.11 116.57 113.53 1b64 h LYS 23 Ca -0.17 -0.13 0.05 0.00 -2.18 0.00 0.00 60.65 58.22 1b64 h LYS 23 Cb 1.92 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 32.56 1b64 h LYS 23 CO 0.11 1.06 0.55 1.25 -1.08 0.00 0.00 179.45 181.34 1b64 h LEU 24 N -0.77 0.86 -0.13 2.94 6.46 -1.71 1.55 115.31 124.52 1b64 h LEU 24 Ca -0.27 -0.00 -0.24 0.00 -0.12 0.00 0.00 57.88 57.25 1b64 h LEU 24 Cb 1.39 -0.19 0.01 0.00 -0.73 0.00 0.00 40.66 41.14 1b64 h LEU 24 CO -0.08 0.58 -0.98 -0.08 -0.62 0.00 0.00 178.44 177.26 1b64 h GLU 25 N 0.99 0.46 0.35 1.25 4.81 -1.62 -2.95 114.58 117.87 1b64 h GLU 25 Ca 0.35 -0.51 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1b64 h GLU 25 Cb 0.12 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1b64 h GLU 25 CO -0.12 1.16 -0.17 1.49 -0.73 0.00 0.00 179.01 180.64 1b64 h GLU 26 N 0.25 -0.45 -0.49 1.92 4.81 -0.53 -3.04 114.58 117.06 1b64 h GLU 26 Ca -0.09 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1b64 h GLU 26 Cb 1.62 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 31.04 1b64 h GLU 26 CO 0.17 -0.24 -0.34 0.00 -0.73 0.00 0.00 179.01 177.87 1b64 h VAL 28 N -0.07 0.01 0.10 0.00 2.07 -1.64 0.49 116.25 117.20 1b64 h VAL 28 Ca 0.08 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 1b64 h VAL 28 Cb 0.27 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1b64 h VAL 28 CO -0.50 0.00 -0.05 -0.09 0.02 0.00 0.00 177.57 176.96 1b64 h ARG 29 N 0.01 -0.12 -0.92 1.57 1.12 0.21 -3.28 114.38 112.96 1b64 h ARG 29 Ca 0.85 0.01 0.26 0.00 -1.11 0.00 0.00 59.98 59.99 1b64 h ARG 29 Cb 2.30 0.03 -0.17 0.00 -0.01 0.00 0.00 29.97 32.12 1b64 h ARG 29 CO -0.74 0.37 0.03 -1.13 -3.11 0.00 0.00 179.97 175.40 1b64 n SER 30 N -4.83 -0.09 -4.56 -3.80 3.41 0.49 -4.45 113.62 99.78 1b64 n SER 30 Ca -0.07 1.57 -0.62 0.00 -0.26 0.00 0.00 58.87 59.49 1b64 n SER 30 Cb 0.27 -0.58 -0.09 0.00 -0.26 0.00 0.00 64.21 63.56 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 -5.35 0.00 -4.20 -1.33 5.41 -0.21 -4.94 119.36 108.75 1b64 n ILE 31 Ca 0.22 0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.78 1b64 n ILE 31 Cb 0.73 -0.15 -0.12 0.00 -0.71 0.00 0.00 39.64 39.39 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 0.87 0.89 -0.16 0.38 -0.44 -1.26 -4.97 119.66 114.98 1b64 s GLN 32 Ca 0.95 -1.03 -0.29 0.00 -2.50 0.00 0.00 55.36 52.49 1b64 s GLN 32 Cb -1.33 -0.91 0.10 0.00 -1.64 0.00 0.00 33.01 29.22 1b64 s GLN 32 CO 0.64 0.20 0.85 0.00 0.50 0.00 0.00 175.29 177.48 1b64 s ALA 33 N -1.43 -1.86 0.10 1.58 0.00 -1.26 -5.00 121.76 113.90 1b64 s ALA 33 Ca 0.01 1.62 -0.26 0.00 0.00 0.00 0.00 51.96 53.33 1b64 s ALA 33 Cb -0.09 -0.67 -0.10 0.00 0.00 0.00 0.00 23.12 22.26 1b64 s ALA 33 CO 0.03 -0.32 1.67 0.22 0.00 0.00 0.00 175.76 177.36 1b64 h ASP 34 N 3.40 -0.47 -0.36 0.00 1.82 -2.03 -1.07 116.42 117.71 1b64 h ASP 34 Ca -0.25 0.05 -0.14 0.00 -0.39 0.00 0.00 57.03 56.31 1b64 h ASP 34 Cb 1.16 0.17 -0.08 0.00 0.68 0.00 0.00 39.33 41.26 1b64 h ASP 34 CO 0.26 -0.25 0.17 0.61 -1.61 0.00 0.00 179.24 178.42 1b64 n GLY 35 N -1.30 2.71 3.13 -0.78 0.00 -1.26 -4.78 105.19 102.90 1b64 n GLY 35 Ca -0.07 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.32 1.98 -0.33 0.99 2.96 -0.41 -3.50 118.68 119.05 1b64 s LEU 36 Ca 0.24 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1b64 s LEU 36 Cb 0.19 -1.33 0.10 0.00 0.50 0.00 0.00 46.19 45.65 1b64 s LEU 36 CO 0.06 0.05 0.08 -0.69 -1.32 0.00 0.00 176.35 174.53 1b64 s VAL 37 N 0.93 1.49 0.35 1.68 1.01 -1.07 -4.44 120.40 120.35 1b64 s VAL 37 Ca -0.05 -1.84 -0.28 0.00 0.00 0.00 0.00 61.98 59.80 1b64 s VAL 37 Cb -0.15 -2.11 -0.10 0.00 0.00 0.00 0.00 36.38 34.01 1b64 s VAL 37 CO -0.03 -0.65 1.33 0.26 0.00 0.00 0.00 175.10 176.00 1b64 s TRP 38 N 1.27 2.97 0.00 5.22 0.23 -1.26 -0.61 118.94 126.75 1b64 s TRP 38 Ca 0.11 1.39 0.00 0.00 -2.03 0.00 0.00 56.10 55.56 1b64 s TRP 38 Cb -0.18 -3.72 0.00 0.00 0.03 0.00 0.00 33.47 29.60 1b64 s TRP 38 CO -0.17 -2.02 0.00 0.41 0.96 0.00 0.00 176.95 176.13 1b64 n GLY 39 N 0.74 0.13 3.29 0.98 0.00 -1.02 -4.89 105.19 104.42 1b64 n GLY 39 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1b64 n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b64 s SER 40 N -0.39 -0.48 0.24 1.61 0.01 -1.24 -5.03 113.70 108.42 1b64 s SER 40 Ca 0.00 0.87 0.02 0.00 1.31 0.00 0.00 55.95 58.15 1b64 s SER 40 Cb 0.00 0.81 -0.03 0.00 0.21 0.00 0.00 66.02 67.00 1b64 s SER 40 CO 0.00 -0.17 0.40 -0.94 0.41 0.00 0.00 173.24 172.94 1b64 s SER 41 N 0.84 6.34 0.17 2.44 1.04 -1.26 -2.90 113.70 120.36 1b64 s SER 41 Ca -0.05 0.26 0.02 0.00 0.48 0.00 0.00 55.95 56.66 1b64 s SER 41 Cb -0.06 -1.95 -0.05 0.00 0.10 0.00 0.00 66.02 64.07 1b64 s SER 41 CO -0.06 -0.10 -0.01 -1.59 0.98 0.00 0.00 173.24 172.46 1b64 s LYS 42 N -3.77 1.09 0.26 4.02 -2.85 -0.88 -4.98 119.74 112.63 1b64 s LYS 42 Ca 0.37 -1.51 0.11 0.00 -1.00 0.00 0.00 55.97 53.93 1b64 s LYS 42 Cb -0.10 -0.28 -0.05 0.00 -2.06 0.00 0.00 37.83 35.34 1b64 s LYS 42 CO 0.31 -0.11 -0.19 -0.51 0.10 0.00 0.00 175.35 174.94 1b64 s LEU 43 N -3.16 2.57 -0.30 2.77 2.01 -1.26 -3.53 118.68 117.77 1b64 s LEU 43 Ca 0.23 -1.02 0.04 0.00 0.01 0.00 0.00 54.13 53.39 1b64 s LEU 43 Cb 0.06 -1.01 0.18 0.00 0.01 0.00 0.00 46.19 45.43 1b64 s LEU 43 CO 0.03 -0.00 0.49 -0.69 1.01 0.00 0.00 176.35 177.18 1b64 s VAL 44 N -2.55 -0.77 0.19 -1.59 1.01 -1.25 -4.97 120.40 110.46 1b64 s VAL 44 Ca 0.28 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1b64 s VAL 44 Cb -0.04 -0.92 -0.08 0.00 0.00 0.00 0.00 36.38 35.34 1b64 s VAL 44 CO 0.13 -0.18 1.11 -2.16 0.00 0.00 0.00 175.10 174.00 1b64 s PRO 45 N 2.56 4.59 -0.07 2.72 0.04 -1.26 -0.74 135.00 142.83 1b64 s PRO 45 Ca 0.10 1.75 0.09 0.00 0.04 0.00 0.00 61.00 62.98 1b64 s PRO 45 Cb -0.11 -3.26 -0.24 0.00 0.04 0.00 0.00 34.50 30.93 1b64 s PRO 45 CO -0.26 0.07 0.56 1.55 0.04 0.00 0.00 177.00 178.96 1b64 n VAL 46 N 2.21 1.63 0.17 -0.36 3.14 -1.23 -4.91 118.33 118.98 1b64 n VAL 46 Ca 0.02 -0.77 0.00 0.00 -2.96 0.00 0.00 64.34 60.64 1b64 n VAL 46 Cb 0.46 -1.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.08 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 1.67 -1.15 0.00 7.55 0.00 -1.26 -5.06 105.19 106.93 1b64 n GLY 47 Ca -0.21 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1b64 n GLY 47 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b64 n TYR 48 N -3.33 0.00 -0.05 1.61 4.01 -1.26 -5.01 117.16 113.12 1b64 n TYR 48 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 1b64 n TYR 48 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 1b64 n TYR 48 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1b64 h GLY 49 N 0.00 0.00 -2.45 2.72 0.00 -2.00 -3.47 103.07 97.87 1b64 h GLY 49 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 1b64 h GLY 49 CO 0.00 0.00 -0.11 -0.42 0.00 0.00 0.00 176.54 176.01 1b64 s ILE 50 N -1.70 4.79 0.10 2.60 1.09 -1.26 -4.52 121.20 122.30 1b64 s ILE 50 Ca -0.04 -0.35 -0.11 0.00 -1.10 0.00 0.00 60.65 59.05 1b64 s ILE 50 Cb -0.00 -3.77 0.01 0.00 -1.06 0.00 0.00 42.46 37.64 1b64 s ILE 50 CO 0.13 -0.56 0.25 -0.54 -0.10 0.00 0.00 174.94 174.12 1b64 s LYS 51 N -4.45 0.92 0.19 2.79 1.02 -1.26 -3.54 119.74 115.40 1b64 s LYS 51 Ca 0.43 -0.90 -0.19 0.00 0.02 0.00 0.00 55.97 55.33 1b64 s LYS 51 Cb -0.10 0.38 -0.08 0.00 -0.52 0.00 0.00 37.83 37.51 1b64 s LYS 51 CO 0.38 -0.31 0.69 0.21 -0.92 0.00 0.00 175.35 175.40 1b64 s LYS 52 N -3.85 4.23 -0.82 1.68 2.20 0.08 -4.61 119.74 118.65 1b64 s LYS 52 Ca 0.05 0.82 0.02 0.00 -0.36 0.00 0.00 55.97 56.49 1b64 s LYS 52 Cb 0.04 -2.94 0.25 0.00 -1.51 0.00 0.00 37.83 33.66 1b64 s LYS 52 CO -0.11 0.44 0.90 -0.11 -0.36 0.00 0.00 175.35 176.11 1b64 n LEU 53 N 0.88 4.42 -4.86 5.43 -0.00 -1.06 -3.91 117.00 117.90 1b64 n LEU 53 Ca -0.04 -5.29 -0.36 0.00 -0.00 0.00 0.00 56.01 50.33 1b64 n LEU 53 Cb 0.51 -0.93 -0.06 0.00 -0.00 0.00 0.00 43.42 42.94 1b64 n LEU 53 CO 0.43 1.81 -0.19 -1.58 -0.00 0.00 0.00 177.39 177.87 1b64 s GLN 54 N -2.16 3.37 0.07 1.96 0.74 -1.23 -0.51 119.66 121.91 1b64 s GLN 54 Ca 0.33 -0.21 -0.13 0.00 0.05 0.00 0.00 55.36 55.40 1b64 s GLN 54 Cb 0.05 -3.12 0.02 0.00 1.10 0.00 0.00 33.01 31.06 1b64 s GLN 54 CO -0.03 0.75 0.30 0.96 -0.55 0.00 0.00 175.29 176.71 1b64 s ILE 55 N -1.08 0.10 0.02 -2.34 -0.00 -0.75 -2.06 121.20 115.08 1b64 s ILE 55 Ca 0.18 -0.78 0.08 0.00 -0.00 0.00 0.00 60.65 60.12 1b64 s ILE 55 Cb -0.12 -1.10 -0.02 0.00 -0.00 0.00 0.00 42.46 41.22 1b64 s ILE 55 CO 0.07 -0.43 -0.24 -1.58 -0.00 0.00 0.00 174.94 172.76 1b64 s GLN 56 N -3.19 1.75 0.07 0.37 2.00 -1.14 -1.34 119.66 118.18 1b64 s GLN 56 Ca -0.00 -0.97 0.01 0.00 -2.00 0.00 0.00 55.36 52.39 1b64 s GLN 56 Cb 0.01 -1.82 -0.00 0.00 0.80 0.00 0.00 33.01 32.00 1b64 s GLN 56 CO -0.07 0.48 0.03 0.00 -0.50 0.00 0.00 175.29 175.23 1b64 n VAL 58 N -0.16 -0.51 -2.17 0.00 0.31 0.22 -3.70 118.33 112.32 1b64 n VAL 58 Ca -0.01 -2.13 -0.27 0.00 -0.01 0.00 0.00 64.34 61.93 1b64 n VAL 58 Cb 0.11 -0.14 0.13 0.00 -0.91 0.00 0.00 33.84 33.02 1b64 n VAL 58 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1b64 s VAL 59 N 0.44 2.11 0.79 2.52 -7.23 -0.50 -2.61 120.40 115.91 1b64 s VAL 59 Ca 0.32 -0.23 -0.09 0.00 -1.81 0.00 0.00 61.98 60.17 1b64 s VAL 59 Cb 0.04 -2.88 0.11 0.00 0.56 0.00 0.00 36.38 34.21 1b64 s VAL 59 CO -0.12 0.00 1.11 -0.70 -0.31 0.00 0.00 175.10 175.08 1b64 s GLU 60 N -5.50 1.67 0.00 4.82 -6.30 -1.15 0.14 118.70 112.38 1b64 s GLU 60 Ca 0.67 -0.39 0.19 0.00 -2.50 0.00 0.00 54.97 52.95 1b64 s GLU 60 Cb -0.07 -2.08 0.31 0.00 0.00 0.00 0.00 34.13 32.29 1b64 s GLU 60 CO 0.48 -1.63 1.25 -3.47 0.02 0.00 0.00 175.26 171.91 1b64 n ASP 61 N -3.18 3.03 -0.80 -1.70 -0.08 -0.41 -4.19 116.55 109.21 1b64 n ASP 61 Ca 0.11 -1.89 -0.04 0.00 -1.51 0.00 0.00 54.79 51.46 1b64 n ASP 61 Cb 0.60 -0.16 -0.04 0.00 2.34 0.00 0.00 41.12 43.86 1b64 n ASP 61 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1b64 n ASP 62 N 1.18 -0.62 0.06 1.67 -0.08 -1.26 -4.99 116.55 112.52 1b64 n ASP 62 Ca 0.15 -1.60 0.00 0.00 -1.51 0.00 0.00 54.79 51.83 1b64 n ASP 62 Cb 0.52 0.19 0.00 0.00 2.34 0.00 0.00 41.12 44.16 1b64 n ASP 62 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1b64 n LYS 63 N 0.00 0.00 -4.54 -0.67 3.00 -1.26 -5.11 118.16 109.58 1b64 n LYS 63 Ca -0.17 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 57.92 1b64 n LYS 63 Cb 0.62 -0.11 -0.15 0.00 0.00 0.00 0.00 35.03 35.39 1b64 n LYS 63 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1b64 s VAL 64 N -1.56 1.09 -0.39 3.15 1.01 -1.26 -4.96 120.40 117.49 1b64 s VAL 64 Ca 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1b64 s VAL 64 Cb 0.00 -0.94 0.16 0.00 0.00 0.00 0.00 36.38 35.60 1b64 s VAL 64 CO 0.00 0.21 0.35 -0.83 0.00 0.00 0.00 175.10 174.84 1b64 s GLY 65 N -0.58 0.35 -1.37 4.51 0.00 -1.26 -2.91 107.32 106.06 1b64 s GLY 65 Ca 0.04 -1.47 -0.14 0.00 0.00 0.00 0.00 44.72 43.15 1b64 s GLY 65 CO 0.00 2.52 0.36 2.41 0.00 0.00 0.00 173.10 178.39 1b64 n THR 66 N 3.80 -0.16 -0.08 0.90 -1.04 -1.26 -4.75 114.28 111.69 1b64 n THR 66 Ca 0.16 -0.08 -0.09 0.00 -2.04 0.00 0.00 64.05 62.01 1b64 n THR 66 Cb 0.44 -0.45 -0.03 0.00 -1.82 0.00 0.00 70.33 68.47 1b64 n THR 66 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1b64 n ASP 67 N -1.75 1.90 -0.04 8.00 5.75 -1.26 -4.19 116.55 124.95 1b64 n ASP 67 Ca 0.02 0.32 -0.13 0.00 -0.01 0.00 0.00 54.79 54.99 1b64 n ASP 67 Cb 0.38 -0.72 -0.08 0.00 -1.03 0.00 0.00 41.12 39.67 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 -0.95 0.24 -0.85 0.11 4.05 -1.98 -2.13 114.93 113.43 1b64 h MET 68 Ca 0.00 -0.12 0.22 0.00 -0.28 0.00 0.00 59.70 59.53 1b64 h MET 68 Cb 0.95 -0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.70 1b64 h MET 68 CO 0.00 0.62 0.59 -0.07 0.23 0.00 0.00 176.91 178.28 1b64 h LEU 69 N -0.13 0.15 0.34 3.39 3.38 -1.95 0.51 115.31 121.00 1b64 h LEU 69 Ca 0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1b64 h LEU 69 Cb 0.56 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1b64 h LEU 69 CO 0.02 0.06 -0.16 -0.08 0.09 0.00 0.00 178.44 178.36 1b64 h GLU 70 N 0.15 -0.44 0.00 1.13 4.81 -1.67 1.70 114.58 120.26 1b64 h GLU 70 Ca 0.42 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.68 1b64 h GLU 70 Cb 1.41 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.89 1b64 h GLU 70 CO -0.07 -0.30 0.00 0.39 -0.73 0.00 0.00 179.01 178.31 1b64 n GLU 71 N -4.98 0.03 -0.11 1.92 1.02 -0.71 0.14 120.64 117.96 1b64 n GLU 71 Ca -0.06 0.53 -0.22 0.00 -0.02 0.00 0.00 57.16 57.39 1b64 n GLU 71 Cb 0.18 -1.61 -0.07 0.00 -0.02 0.00 0.00 31.44 29.92 1b64 n GLU 71 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1b64 n GLN 72 N -1.68 0.51 0.02 3.49 1.13 0.17 -3.66 117.38 117.36 1b64 n GLN 72 Ca -0.00 0.22 -0.13 0.00 -1.94 0.00 0.00 57.00 55.15 1b64 n GLN 72 Cb 0.01 -1.37 -0.09 0.00 0.11 0.00 0.00 30.24 28.90 1b64 n GLN 72 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1b64 h ILE 73 N -0.89 1.21 0.00 5.09 2.04 0.30 -2.56 117.51 122.70 1b64 h ILE 73 Ca -0.48 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 64.51 1b64 h ILE 73 Cb 1.39 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 1b64 h ILE 73 CO -0.29 0.22 0.00 0.35 0.00 0.00 0.00 178.15 178.43 1b64 n THR 74 N -4.93 0.00 0.82 -0.27 -2.24 0.38 -3.03 114.28 105.00 1b64 n THR 74 Ca -0.08 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.80 1b64 n THR 74 Cb 0.22 -0.31 0.47 0.00 -2.10 0.00 0.00 70.33 68.60 1b64 n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b64 n ALA 75 N -0.77 1.99 -3.63 6.98 0.00 -0.97 -4.01 120.51 120.11 1b64 n ALA 75 Ca 0.12 -0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.12 1b64 n ALA 75 Cb 0.05 -1.33 -0.07 0.00 0.00 0.00 0.00 19.45 18.11 1b64 n ALA 75 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1b64 n PHE 76 N -1.40 4.05 1.06 0.00 3.72 -1.17 -4.84 117.46 118.88 1b64 n PHE 76 Ca 0.07 -4.10 0.11 0.00 -0.05 0.00 0.00 57.45 53.48 1b64 n PHE 76 Cb 0.20 -1.07 0.56 0.00 -0.94 0.00 0.00 39.48 38.23 1b64 n PHE 76 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1b64 n GLU 77 N 2.15 0.35 -0.55 -1.08 1.02 -1.26 -0.61 120.64 120.67 1b64 n GLU 77 Ca 0.22 0.07 0.06 0.00 -0.02 0.00 0.00 57.16 57.49 1b64 n GLU 77 Cb 0.37 -1.50 0.27 0.00 -0.02 0.00 0.00 31.44 30.56 1b64 n GLU 77 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1b64 n ASP 78 N -1.25 3.95 0.00 1.62 2.03 -1.26 -4.36 116.55 117.28 1b64 n ASP 78 Ca 0.11 -2.51 0.00 0.00 0.52 0.00 0.00 54.79 52.91 1b64 n ASP 78 Cb 0.16 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 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 0.56 -0.71 -2.95 -0.67 4.01 -0.95 -4.97 117.16 111.47 1b64 n TYR 79 Ca 0.19 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.52 1b64 n TYR 79 Cb 0.81 0.19 -0.04 0.00 -0.31 0.00 0.00 39.34 39.98 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 -1.38 4.93 -0.01 -0.72 1.01 0.22 -0.20 120.40 124.25 1b64 s VAL 80 Ca 0.00 1.64 -0.03 0.00 0.00 0.00 0.00 61.98 63.59 1b64 s VAL 80 Cb 0.00 -4.13 -0.28 0.00 0.00 0.00 0.00 36.38 31.98 1b64 s VAL 80 CO 0.00 0.26 0.81 -0.61 0.00 0.00 0.00 175.10 175.55 1b64 h GLN 81 N 6.51 0.25 0.00 2.72 4.15 0.15 -3.42 115.11 125.47 1b64 h GLN 81 Ca -0.42 -0.43 0.00 0.00 0.77 0.00 0.00 58.65 58.57 1b64 h GLN 81 Cb 1.20 0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.05 1b64 h GLN 81 CO 0.74 1.11 0.00 -1.13 -1.93 0.00 0.00 178.83 177.62 1b64 n SER 82 N -3.45 0.00 -4.81 -0.69 3.41 -1.24 -5.01 113.62 101.82 1b64 n SER 82 Ca -0.18 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.10 1b64 n SER 82 Cb 1.05 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.93 1b64 n SER 82 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1b64 s MET 83 N 0.00 4.28 0.20 4.33 1.75 -1.26 -3.83 119.30 124.77 1b64 s MET 83 Ca 0.00 1.15 0.02 0.00 -1.25 0.00 0.00 55.69 55.61 1b64 s MET 83 Cb 0.00 -2.26 -0.01 0.00 2.84 0.00 0.00 34.83 35.40 1b64 s MET 83 CO 0.00 0.01 0.22 -0.25 -0.65 0.00 0.00 175.02 174.35 1b64 n ASP 84 N -0.48 -0.59 -4.32 1.11 8.00 -1.22 -5.04 116.55 114.01 1b64 n ASP 84 Ca 0.06 -2.20 -0.33 0.00 0.71 0.00 0.00 54.79 53.03 1b64 n ASP 84 Cb 0.53 1.22 -0.14 0.00 -0.02 0.00 0.00 41.12 42.71 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 -2.73 3.02 -0.28 2.53 0.11 -1.26 -3.31 120.40 118.48 1b64 s VAL 85 Ca 0.20 -0.65 0.22 0.00 -2.93 0.00 0.00 61.98 58.82 1b64 s VAL 85 Cb 0.00 -2.30 0.09 0.00 -1.53 0.00 0.00 36.38 32.64 1b64 s VAL 85 CO 0.15 0.50 1.20 0.00 -3.33 0.00 0.00 175.10 173.61 1b64 h ALA 86 N 7.23 0.65 -1.26 1.54 0.00 -1.30 -3.48 119.26 122.64 1b64 h ALA 86 Ca -0.32 -0.06 0.33 0.00 0.00 0.00 0.00 54.91 54.86 1b64 h ALA 86 Cb 1.19 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.84 1b64 h ALA 86 CO 0.58 0.07 0.90 0.00 0.00 0.00 0.00 179.25 180.80 1b64 s ALA 87 N -3.28 -2.26 -0.41 0.00 0.00 -1.18 -4.96 121.76 109.67 1b64 s ALA 87 Ca 0.02 1.23 0.06 0.00 0.00 0.00 0.00 51.96 53.26 1b64 s ALA 87 Cb 0.08 0.05 0.17 0.00 0.00 0.00 0.00 23.12 23.43 1b64 s ALA 87 CO 0.76 -0.84 0.52 0.12 0.00 0.00 0.00 175.76 176.31 1b64 s PHE 88 N -2.24 -0.96 0.25 0.00 2.19 -1.26 -3.80 117.98 112.16 1b64 s PHE 88 Ca 0.13 -0.45 -0.02 0.00 0.33 0.00 0.00 56.93 56.92 1b64 s PHE 88 Cb 0.03 -0.05 -0.03 0.00 -1.31 0.00 0.00 43.02 41.66 1b64 s PHE 88 CO -0.04 -1.09 0.25 -0.80 1.83 0.00 0.00 175.22 175.37 1b64 s ASN 89 N 1.44 0.44 0.79 6.13 -0.87 -1.20 -5.09 114.94 116.59 1b64 s ASN 89 Ca 0.19 -1.38 -0.11 0.00 -1.57 0.00 0.00 52.86 49.99 1b64 s ASN 89 Cb -0.08 0.48 0.07 0.00 -0.02 0.00 0.00 41.25 41.69 1b64 s ASN 89 CO -0.05 -0.98 1.09 -0.75 -2.57 0.00 0.00 177.10 173.84 1b64 s LYS 90 N -3.90 2.14 0.00 -0.60 2.20 -1.26 -2.11 119.74 116.21 1b64 s LYS 90 Ca 0.35 0.66 0.13 0.00 -0.36 0.00 0.00 55.97 56.76 1b64 s LYS 90 Cb 0.04 -1.92 0.10 0.00 -1.51 0.00 0.00 37.83 34.54 1b64 s LYS 90 CO 0.15 -1.59 0.91 1.51 -0.36 0.00 0.00 175.35 175.97