#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 -5.60 -3.63 4.03 4.32 -1.26 -5.08 117.00 109.78 1b64 n LEU 2 Ca 0.00 1.91 -0.12 0.00 -0.02 0.00 0.00 56.01 57.78 1b64 n LEU 2 Cb 0.00 -2.94 -0.05 0.00 -1.62 0.00 0.00 43.42 38.81 1b64 n LEU 2 CO 0.00 -3.38 0.19 -0.69 -1.22 0.00 0.00 177.39 172.29 1b64 s VAL 3 N -0.62 0.05 -0.16 4.08 1.01 -1.26 -5.03 120.40 118.47 1b64 s VAL 3 Ca -0.23 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 1b64 s VAL 3 Cb 0.02 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.37 1b64 s VAL 3 CO 0.67 -0.24 0.22 0.00 0.00 0.00 0.00 175.10 175.75 1b64 n ALA 4 N 0.19 -3.01 -1.97 5.51 0.00 -1.26 -4.83 120.51 115.14 1b64 n ALA 4 Ca -0.17 0.44 -0.25 0.00 0.00 0.00 0.00 53.44 53.46 1b64 n ALA 4 Cb 0.62 -1.40 0.11 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.58 1.68 -0.02 0.00 -0.14 -1.26 -2.76 119.74 115.66 1b64 s LYS 5 Ca 0.09 -0.81 -0.12 0.00 -1.36 0.00 0.00 55.97 53.77 1b64 s LYS 5 Cb -0.03 -2.24 0.02 0.00 -1.68 0.00 0.00 37.83 33.90 1b64 s LYS 5 CO 0.29 -1.50 0.25 -1.54 -0.76 0.00 0.00 175.35 172.09 1b64 s SER 6 N -4.69 -0.14 0.25 2.83 1.04 0.63 -4.54 113.70 109.08 1b64 s SER 6 Ca 0.66 0.06 -0.14 0.00 0.48 0.00 0.00 55.95 57.01 1b64 s SER 6 Cb -0.07 0.31 -0.08 0.00 0.10 0.00 0.00 66.02 66.29 1b64 s SER 6 CO 0.45 -0.37 0.65 -0.55 0.98 0.00 0.00 173.24 174.39 1b64 s SER 7 N -1.13 6.79 -0.26 7.02 0.15 0.21 -0.74 113.70 125.73 1b64 s SER 7 Ca -0.12 1.16 -0.04 0.00 0.70 0.00 0.00 55.95 57.66 1b64 s SER 7 Cb -0.06 -2.32 0.10 0.00 -1.71 0.00 0.00 66.02 62.03 1b64 s SER 7 CO 0.03 -0.07 0.16 -0.63 1.20 0.00 0.00 173.24 173.93 1b64 s ILE 8 N -1.76 -0.17 -0.44 6.45 -1.09 -0.70 -3.64 121.20 119.83 1b64 s ILE 8 Ca 0.47 -0.51 -0.08 0.00 -2.23 0.00 0.00 60.65 58.30 1b64 s ILE 8 Cb -0.12 -0.86 0.10 0.00 -1.58 0.00 0.00 42.46 40.00 1b64 s ILE 8 CO 0.19 -0.53 0.30 -0.22 -1.23 0.00 0.00 174.94 173.45 1b64 s LEU 9 N 2.19 5.45 -0.13 2.97 2.96 -1.25 -2.47 118.68 128.39 1b64 s LEU 9 Ca 0.07 -1.78 -0.08 0.00 -0.22 0.00 0.00 54.13 52.13 1b64 s LEU 9 Cb -0.16 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 1b64 s LEU 9 CO -0.28 -0.62 0.15 -0.76 -1.32 0.00 0.00 176.35 173.52 1b64 s LEU 10 N 1.36 4.36 -0.34 -0.68 1.43 -1.05 0.60 118.68 124.37 1b64 s LEU 10 Ca 0.05 0.45 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 1b64 s LEU 10 Cb -0.25 -2.09 0.10 0.00 0.03 0.00 0.00 46.19 43.97 1b64 s LEU 10 CO -0.00 0.37 0.04 -0.62 0.23 0.00 0.00 176.35 176.37 1b64 s ASP 11 N -0.81 4.77 0.34 2.29 -1.08 -1.18 -2.02 116.67 118.98 1b64 s ASP 11 Ca 0.14 -2.06 -0.08 0.00 -0.52 0.00 0.00 52.55 50.04 1b64 s ASP 11 Cb -0.12 -1.64 -0.06 0.00 -1.46 0.00 0.00 42.92 39.65 1b64 s ASP 11 CO 0.03 -0.37 0.65 -0.69 0.52 0.00 0.00 175.17 175.31 1b64 s VAL 12 N 0.94 4.91 -0.14 1.11 1.01 0.11 -3.29 120.40 125.05 1b64 s VAL 12 Ca 0.08 0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.38 1b64 s VAL 12 Cb -0.19 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1b64 s VAL 12 CO -0.07 -0.40 -0.11 -0.75 0.00 0.00 0.00 175.10 173.76 1b64 s LYS 13 N -3.66 3.39 0.19 2.72 2.36 -1.17 -1.87 119.74 121.71 1b64 s LYS 13 Ca 0.47 -0.67 -0.30 0.00 -2.55 0.00 0.00 55.97 52.92 1b64 s LYS 13 Cb -0.11 -2.70 -0.08 0.00 -1.05 0.00 0.00 37.83 33.90 1b64 s LYS 13 CO 0.30 0.15 1.11 -1.25 1.55 0.00 0.00 175.35 177.21 1b64 s PRO 14 N 0.52 4.59 0.36 4.03 0.04 -1.26 0.20 135.00 143.48 1b64 s PRO 14 Ca -0.08 1.75 0.17 0.00 0.04 0.00 0.00 61.00 62.88 1b64 s PRO 14 Cb -0.15 -3.26 1.12 0.00 0.04 0.00 0.00 34.50 32.24 1b64 s PRO 14 CO 0.04 0.08 1.68 -1.49 0.04 0.00 0.00 177.00 177.35 1b64 h TRP 15 N 4.94 0.83 -1.88 0.56 -0.00 -1.07 -3.43 115.95 115.91 1b64 h TRP 15 Ca -0.45 0.03 0.40 0.00 -0.00 0.00 0.00 58.89 58.88 1b64 h TRP 15 Cb 1.21 -0.22 -0.09 0.00 -0.00 0.00 0.00 29.16 30.06 1b64 h TRP 15 CO 0.62 -0.11 1.00 0.34 -0.00 0.00 0.00 178.44 180.29 1b64 s ASP 16 N -4.94 -0.00 0.62 -3.49 -1.08 -1.26 -4.96 116.67 101.55 1b64 s ASP 16 Ca -0.09 -0.04 0.27 0.00 -0.52 0.00 0.00 52.55 52.16 1b64 s ASP 16 Cb 0.29 0.03 1.34 0.00 -1.46 0.00 0.00 42.92 43.12 1b64 s ASP 16 CO 0.80 -0.06 1.76 -0.78 0.52 0.00 0.00 175.17 177.41 1b64 h ASP 17 N 2.00 0.00 -0.58 -0.34 3.58 -1.90 0.83 116.42 120.02 1b64 h ASP 17 Ca -0.22 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.13 1b64 h ASP 17 Cb 1.18 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 1b64 h ASP 17 CO 0.30 0.00 -0.05 1.05 -2.88 0.00 0.00 179.24 177.66 1b64 h GLU 18 N 0.00 1.05 -5.76 0.28 4.11 -1.96 -3.41 114.58 108.89 1b64 h GLU 18 Ca 0.17 -0.36 -0.51 0.00 0.07 0.00 0.00 59.36 58.73 1b64 h GLU 18 Cb 1.32 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.49 1b64 h GLU 18 CO -0.00 1.05 1.58 2.41 0.07 0.00 0.00 179.01 184.13 1b64 n THR 19 N -4.16 0.09 -1.51 -1.06 -1.04 0.29 -4.89 114.28 102.00 1b64 n THR 19 Ca 0.02 -0.67 -0.40 0.00 -2.04 0.00 0.00 64.05 60.96 1b64 n THR 19 Cb 0.37 -2.72 0.02 0.00 -1.82 0.00 0.00 70.33 66.19 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 14.27 -0.31 -0.00 8.00 8.00 -1.26 -4.85 116.55 140.39 1b64 n ASP 20 Ca 0.34 0.88 0.06 0.00 0.71 0.00 0.00 54.79 56.78 1b64 n ASP 20 Cb 0.51 -1.21 -0.07 0.00 -0.02 0.00 0.00 41.12 40.33 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 0.16 2.67 -0.07 -1.24 2.81 -1.26 -3.95 117.12 116.25 1b64 n MET 21 Ca 0.11 -0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.93 1b64 n MET 21 Cb 0.43 -1.11 -0.04 0.00 -0.71 0.00 0.00 33.22 31.78 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 1.79 0.03 -0.47 3.04 0.00 -1.98 -2.79 119.26 118.88 1b64 h ALA 22 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1b64 h ALA 22 Cb 0.31 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1b64 h ALA 22 CO 0.00 0.21 0.26 0.87 0.00 0.00 0.00 179.25 180.59 1b64 h LYS 23 N -1.00 0.66 -0.81 0.00 1.57 -1.97 1.61 116.57 116.64 1b64 h LYS 23 Ca -0.04 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1b64 h LYS 23 Cb 0.47 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.59 1b64 h LYS 23 CO -0.02 0.53 0.49 1.25 -0.57 0.00 0.00 179.45 181.13 1b64 h LEU 24 N 0.63 0.77 0.17 2.94 6.46 -1.73 1.86 115.31 126.40 1b64 h LEU 24 Ca 0.17 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 1b64 h LEU 24 Cb 0.06 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 1b64 h LEU 24 CO -0.03 0.49 -0.08 -0.08 -0.62 0.00 0.00 178.44 178.13 1b64 h GLU 25 N 0.90 -0.22 -0.74 1.25 4.81 -1.10 -1.65 114.58 117.84 1b64 h GLU 25 Ca 0.36 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.71 1b64 h GLU 25 Cb 0.17 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 1b64 h GLU 25 CO -0.17 0.09 0.49 1.05 -0.73 0.00 0.00 179.01 179.73 1b64 h GLU 26 N -0.99 0.58 0.17 1.92 -0.00 0.25 -0.84 114.58 115.67 1b64 h GLU 26 Ca -0.02 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.36 59.29 1b64 h GLU 26 Cb 0.41 -0.13 0.00 0.00 -0.00 0.00 0.00 28.75 29.03 1b64 h GLU 26 CO 0.04 0.38 -0.08 0.00 -0.00 0.00 0.00 179.01 179.35 1b64 h VAL 28 N -0.56 0.54 -0.01 0.00 2.07 -0.25 0.70 116.25 118.75 1b64 h VAL 28 Ca -0.02 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1b64 h VAL 28 Cb 0.42 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1b64 h VAL 28 CO 0.04 0.11 -0.19 -0.09 0.02 0.00 0.00 177.57 177.46 1b64 h ARG 29 N 0.58 0.14 -0.91 1.57 2.43 -0.92 -3.24 114.38 114.04 1b64 h ARG 29 Ca 0.64 -0.14 0.25 0.00 -0.81 0.00 0.00 59.98 59.92 1b64 h ARG 29 Cb 1.23 0.04 -0.14 0.00 -0.42 0.00 0.00 29.97 30.67 1b64 h ARG 29 CO -0.46 0.86 0.35 0.66 -1.51 0.00 0.00 179.97 179.87 1b64 h SER 30 N -0.52 0.21 -1.00 -3.80 4.64 0.24 -3.41 113.55 109.91 1b64 h SER 30 Ca -0.02 0.18 -0.85 0.00 -0.47 0.00 0.00 61.79 60.64 1b64 h SER 30 Cb 0.92 0.20 0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1b64 h SER 30 CO 0.04 -0.11 0.46 -0.38 -0.87 0.00 0.00 176.83 175.97 1b64 n ILE 31 N -5.14 0.00 -4.68 0.95 5.41 0.00 -4.91 119.36 111.00 1b64 n ILE 31 Ca 0.24 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.65 1b64 n ILE 31 Cb 0.74 -0.32 -0.12 0.00 -0.71 0.00 0.00 39.64 39.23 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 1.91 2.90 0.14 0.38 2.00 -1.26 -5.01 119.66 120.72 1b64 s GLN 32 Ca 1.00 -0.60 -0.15 0.00 -2.00 0.00 0.00 55.36 53.61 1b64 s GLN 32 Cb -1.41 -2.59 0.02 0.00 0.80 0.00 0.00 33.01 29.83 1b64 s GLN 32 CO 0.73 0.54 0.39 0.00 -0.50 0.00 0.00 175.29 176.45 1b64 s ALA 33 N -0.49 -0.75 0.61 1.58 0.00 -1.26 -5.11 121.76 116.34 1b64 s ALA 33 Ca 0.07 -0.24 -0.17 0.00 0.00 0.00 0.00 51.96 51.63 1b64 s ALA 33 Cb -0.12 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 1b64 s ALA 33 CO 0.02 -0.66 1.11 0.34 0.00 0.00 0.00 175.76 176.57 1b64 s ASP 34 N -2.84 5.37 -0.20 0.00 -1.08 -1.26 -2.90 116.67 113.76 1b64 s ASP 34 Ca 0.06 2.04 -0.02 0.00 -0.52 0.00 0.00 52.55 54.12 1b64 s ASP 34 Cb 0.02 -2.56 0.01 0.00 -1.46 0.00 0.00 42.92 38.93 1b64 s ASP 34 CO -0.09 -1.45 0.04 0.61 0.52 0.00 0.00 175.17 174.80 1b64 n GLY 35 N -0.33 -0.49 3.59 2.66 0.00 -1.26 -4.86 105.19 104.49 1b64 n GLY 35 Ca 0.11 0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.19 3.56 -0.24 0.99 2.96 -1.14 -4.10 118.68 115.51 1b64 s LEU 36 Ca 0.05 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 1b64 s LEU 36 Cb -0.03 -1.87 0.06 0.00 0.50 0.00 0.00 46.19 44.85 1b64 s LEU 36 CO 0.07 0.21 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.58 1b64 s VAL 37 N 0.13 1.41 -0.58 1.68 1.01 -1.25 -4.85 120.40 117.96 1b64 s VAL 37 Ca 0.02 -1.18 -0.28 0.00 0.00 0.00 0.00 61.98 60.54 1b64 s VAL 37 Cb -0.13 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.55 1b64 s VAL 37 CO 0.02 -0.15 1.17 0.26 0.00 0.00 0.00 175.10 176.40 1b64 s TRP 38 N 1.44 2.61 0.00 5.22 0.23 -1.26 -0.79 118.94 126.39 1b64 s TRP 38 Ca -0.04 0.36 0.00 0.00 -2.03 0.00 0.00 56.10 54.38 1b64 s TRP 38 Cb -0.19 -4.48 0.00 0.00 0.03 0.00 0.00 33.47 28.83 1b64 s TRP 38 CO -0.07 -1.58 0.00 0.41 0.96 0.00 0.00 176.95 176.67 1b64 n GLY 39 N 5.08 -0.69 3.45 0.98 0.00 -1.07 -4.98 105.19 107.96 1b64 n GLY 39 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.64 -0.71 0.39 1.61 0.01 -1.22 -5.04 113.70 107.10 1b64 s SER 40 Ca 0.00 1.19 -0.05 0.00 1.31 0.00 0.00 55.95 58.39 1b64 s SER 40 Cb 0.00 1.08 -0.05 0.00 0.21 0.00 0.00 66.02 67.26 1b64 s SER 40 CO 0.00 -0.21 0.67 -0.94 0.41 0.00 0.00 173.24 173.17 1b64 s SER 41 N 1.39 6.38 0.21 2.44 1.04 -1.26 -3.37 113.70 120.52 1b64 s SER 41 Ca -0.09 0.83 -0.01 0.00 0.48 0.00 0.00 55.95 57.16 1b64 s SER 41 Cb -0.06 -2.20 -0.04 0.00 0.10 0.00 0.00 66.02 63.82 1b64 s SER 41 CO -0.15 -0.38 0.13 -1.59 0.98 0.00 0.00 173.24 172.23 1b64 s LYS 42 N -4.13 1.22 0.21 4.02 -2.85 -1.03 -4.98 119.74 112.20 1b64 s LYS 42 Ca 0.46 -1.64 0.07 0.00 -1.00 0.00 0.00 55.97 53.86 1b64 s LYS 42 Cb -0.10 0.22 -0.05 0.00 -2.06 0.00 0.00 37.83 35.83 1b64 s LYS 42 CO 0.36 -0.38 -0.12 -0.51 0.10 0.00 0.00 175.35 174.80 1b64 s LEU 43 N -3.18 2.53 -0.24 2.77 2.01 -1.26 -3.68 118.68 117.63 1b64 s LEU 43 Ca 0.39 -1.05 -0.05 0.00 0.01 0.00 0.00 54.13 53.42 1b64 s LEU 43 Cb 0.07 -0.64 0.12 0.00 0.01 0.00 0.00 46.19 45.76 1b64 s LEU 43 CO 0.12 -0.22 0.47 -0.69 1.01 0.00 0.00 176.35 177.05 1b64 s VAL 44 N -3.01 -0.75 0.28 -1.59 1.01 -1.23 -4.91 120.40 110.20 1b64 s VAL 44 Ca 0.23 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 1b64 s VAL 44 Cb 0.00 -0.81 -0.09 0.00 0.00 0.00 0.00 36.38 35.48 1b64 s VAL 44 CO 0.07 -0.00 1.08 -2.16 0.00 0.00 0.00 175.10 174.09 1b64 s PRO 45 N 2.68 4.64 0.02 2.72 0.04 -1.26 0.19 135.00 144.03 1b64 s PRO 45 Ca 0.05 1.76 0.16 0.00 0.04 0.00 0.00 61.00 63.01 1b64 s PRO 45 Cb -0.13 -3.17 -0.17 0.00 0.04 0.00 0.00 34.50 31.07 1b64 s PRO 45 CO -0.16 0.23 0.74 1.55 0.04 0.00 0.00 177.00 179.40 1b64 n VAL 46 N 1.16 1.27 0.00 -0.36 3.14 -0.68 -4.86 118.33 118.00 1b64 n VAL 46 Ca -0.01 -0.72 0.00 0.00 -2.96 0.00 0.00 64.34 60.65 1b64 n VAL 46 Cb 0.45 -0.78 0.00 0.00 -1.06 0.00 0.00 33.84 32.45 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 1.45 -1.86 3.03 7.55 0.00 -1.26 -5.05 105.19 109.05 1b64 n GLY 47 Ca -0.12 0.84 -0.12 0.00 0.00 0.00 0.00 46.02 46.61 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 0.00 -0.80 0.00 1.61 4.02 -1.26 -4.62 117.16 116.11 1b64 n TYR 48 Ca 0.00 0.33 0.00 0.00 -0.01 0.00 0.00 57.90 58.22 1b64 n TYR 48 Cb 0.00 -1.12 0.00 0.00 -0.02 0.00 0.00 39.34 38.20 1b64 n TYR 48 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1b64 n GLY 49 N 0.76 -0.78 3.94 2.72 0.00 -1.26 -5.13 105.19 105.44 1b64 n GLY 49 Ca -0.03 0.28 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 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 4.61 0.21 -0.61 1.01 -1.26 -4.90 121.20 120.26 1b64 s ILE 50 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1b64 s ILE 50 Cb 0.00 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 1b64 s ILE 50 CO 0.00 -0.53 0.08 -0.54 0.00 0.00 0.00 174.94 173.95 1b64 s LYS 51 N -4.52 1.24 -0.14 2.79 3.01 -1.26 -1.69 119.74 119.17 1b64 s LYS 51 Ca 0.45 -1.64 -0.16 0.00 -1.01 0.00 0.00 55.97 53.61 1b64 s LYS 51 Cb -0.10 -0.06 -0.04 0.00 -1.01 0.00 0.00 37.83 36.62 1b64 s LYS 51 CO 0.39 -0.28 0.37 0.15 0.51 0.00 0.00 175.35 176.49 1b64 s LYS 52 N -4.05 4.27 -1.24 1.68 1.02 0.52 -4.60 119.74 117.35 1b64 s LYS 52 Ca 0.34 0.25 -0.13 0.00 0.02 0.00 0.00 55.97 56.45 1b64 s LYS 52 Cb 0.07 -3.42 0.16 0.00 -0.52 0.00 0.00 37.83 34.12 1b64 s LYS 52 CO 0.10 0.23 1.58 -0.11 -0.92 0.00 0.00 175.35 176.22 1b64 n LEU 53 N 3.54 5.58 -4.77 3.17 -0.00 -0.78 -3.50 117.00 120.23 1b64 n LEU 53 Ca -0.10 -4.47 -0.33 0.00 -0.00 0.00 0.00 56.01 51.11 1b64 n LEU 53 Cb 0.52 -1.59 -0.07 0.00 -0.00 0.00 0.00 43.42 42.27 1b64 n LEU 53 CO 0.41 0.86 -0.26 -1.58 -0.00 0.00 0.00 177.39 176.82 1b64 s GLN 54 N 1.47 3.04 0.05 1.96 0.74 -1.24 0.05 119.66 125.73 1b64 s GLN 54 Ca 0.43 -0.49 -0.12 0.00 0.05 0.00 0.00 55.36 55.22 1b64 s GLN 54 Cb 0.01 -2.84 0.02 0.00 1.10 0.00 0.00 33.01 31.29 1b64 s GLN 54 CO 0.01 0.65 0.27 0.96 -0.55 0.00 0.00 175.29 176.63 1b64 s ILE 55 N -1.17 0.09 0.03 -2.34 -0.00 -0.86 -2.47 121.20 114.48 1b64 s ILE 55 Ca 0.22 -0.76 0.07 0.00 -0.00 0.00 0.00 60.65 60.18 1b64 s ILE 55 Cb -0.12 -0.97 -0.02 0.00 -0.00 0.00 0.00 42.46 41.35 1b64 s ILE 55 CO 0.13 -0.42 -0.20 -1.58 -0.00 0.00 0.00 174.94 172.87 1b64 s GLN 56 N -2.70 1.41 0.11 0.37 2.00 -1.22 -2.52 119.66 117.11 1b64 s GLN 56 Ca -0.04 -0.90 -0.08 0.00 -2.00 0.00 0.00 55.36 52.35 1b64 s GLN 56 Cb -0.00 -1.49 -0.01 0.00 0.80 0.00 0.00 33.01 32.30 1b64 s GLN 56 CO -0.04 0.39 0.19 0.00 -0.50 0.00 0.00 175.29 175.32 1b64 n VAL 58 N -0.09 1.95 -2.18 0.00 0.31 0.03 -1.73 118.33 116.63 1b64 n VAL 58 Ca -0.12 -5.02 -0.27 0.00 -0.01 0.00 0.00 64.34 58.92 1b64 n VAL 58 Cb 0.62 -2.16 0.12 0.00 -0.91 0.00 0.00 33.84 31.52 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 -1.88 2.12 0.48 2.52 -7.23 0.08 -3.77 120.40 112.71 1b64 s VAL 59 Ca 0.31 -0.23 -0.09 0.00 -1.81 0.00 0.00 61.98 60.16 1b64 s VAL 59 Cb 0.03 -2.88 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 1b64 s VAL 59 CO -0.11 0.00 0.83 -1.61 -0.31 0.00 0.00 175.10 173.90 1b64 s GLU 60 N -5.49 3.66 0.00 4.82 0.41 -1.26 0.23 118.70 121.08 1b64 s GLU 60 Ca 0.67 0.42 0.28 0.00 -0.41 0.00 0.00 54.97 55.93 1b64 s GLU 60 Cb -0.07 -2.32 0.97 0.00 -1.78 0.00 0.00 34.13 30.93 1b64 s GLU 60 CO 0.48 -0.20 1.70 -3.47 -0.49 0.00 0.00 175.26 173.28 1b64 n ASP 61 N -1.94 1.63 -0.96 -0.19 -0.08 -1.11 -3.53 116.55 110.37 1b64 n ASP 61 Ca 0.02 -1.54 0.01 0.00 -1.51 0.00 0.00 54.79 51.78 1b64 n ASP 61 Cb 0.54 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.01 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 0.28 0.40 0.00 1.67 -0.08 -1.26 -4.95 116.55 112.60 1b64 n ASP 62 Ca 0.18 -1.96 0.00 0.00 -1.51 0.00 0.00 54.79 51.51 1b64 n ASP 62 Cb 0.38 -0.22 0.00 0.00 2.34 0.00 0.00 41.12 43.62 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 0.22 0.00 -3.11 -0.67 3.00 -1.25 -5.10 118.16 111.25 1b64 n LYS 63 Ca 0.02 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.00 1b64 n LYS 63 Cb 0.89 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.86 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 -0.28 4.67 -0.00 3.15 1.01 -1.23 -4.97 120.40 122.75 1b64 s VAL 64 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1b64 s VAL 64 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1b64 s VAL 64 CO 0.00 -0.21 0.59 0.61 0.00 0.00 0.00 175.10 176.10 1b64 n GLY 65 N -0.42 -2.29 2.85 4.51 0.00 -1.26 -4.66 105.19 103.92 1b64 n GLY 65 Ca 0.04 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 1b64 n GLY 65 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1b64 n THR 66 N -0.02 -1.90 -0.08 2.61 -1.04 -1.26 -4.94 114.28 107.65 1b64 n THR 66 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1b64 n THR 66 Cb 0.53 -3.09 -0.04 0.00 -1.82 0.00 0.00 70.33 65.91 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 -1.44 1.72 -0.07 8.00 5.75 -1.26 -4.11 116.55 125.13 1b64 n ASP 67 Ca -0.00 0.29 -0.15 0.00 -0.01 0.00 0.00 54.79 54.92 1b64 n ASP 67 Cb 0.55 -0.66 -0.05 0.00 -1.03 0.00 0.00 41.12 39.92 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 -0.80 0.75 -0.80 0.11 4.05 -1.98 -2.17 114.93 114.08 1b64 h MET 68 Ca -0.16 -0.47 0.02 0.00 -0.28 0.00 0.00 59.70 58.82 1b64 h MET 68 Cb 1.00 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.81 1b64 h MET 68 CO -0.10 1.09 0.53 -0.07 0.23 0.00 0.00 176.91 178.60 1b64 h LEU 69 N 0.48 0.88 0.40 3.39 3.38 -1.98 -0.45 115.31 121.41 1b64 h LEU 69 Ca 0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1b64 h LEU 69 Cb 1.05 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1b64 h LEU 69 CO 0.10 0.62 -0.19 -0.08 0.09 0.00 0.00 178.44 178.98 1b64 h GLU 70 N 1.03 -0.52 0.00 1.13 4.81 -1.68 1.29 114.58 120.65 1b64 h GLU 70 Ca 0.31 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1b64 h GLU 70 Cb -0.03 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1b64 h GLU 70 CO -0.08 -0.21 0.06 0.39 -0.73 0.00 0.00 179.01 178.44 1b64 n GLU 71 N -5.21 0.13 -0.12 1.92 1.02 -0.83 0.18 120.64 117.75 1b64 n GLU 71 Ca -0.10 0.63 -0.24 0.00 -0.02 0.00 0.00 57.16 57.43 1b64 n GLU 71 Cb 0.28 -2.00 -0.11 0.00 -0.02 0.00 0.00 31.44 29.59 1b64 n GLU 71 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1b64 n GLN 72 N -2.24 0.62 0.06 3.49 7.27 -0.21 -3.25 117.38 123.13 1b64 n GLN 72 Ca -0.01 0.28 -0.10 0.00 0.07 0.00 0.00 57.00 57.23 1b64 n GLN 72 Cb 0.09 -1.56 -0.07 0.00 2.41 0.00 0.00 30.24 31.11 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 -0.60 0.74 0.00 1.69 2.04 0.26 -3.12 117.51 118.52 1b64 h ILE 73 Ca -0.59 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.17 1b64 h ILE 73 Cb 1.70 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1b64 h ILE 73 CO -0.24 0.20 0.00 0.35 0.00 0.00 0.00 178.15 178.45 1b64 n THR 74 N -4.93 0.63 0.31 -0.27 -2.24 0.48 -2.73 114.28 105.53 1b64 n THR 74 Ca -0.07 0.16 0.19 0.00 -2.27 0.00 0.00 64.05 62.05 1b64 n THR 74 Cb 0.25 -0.87 0.99 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 h ALA 75 N 2.72 1.29 -2.38 6.98 0.00 -1.47 -3.26 119.26 123.13 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 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.77 1b64 h ALA 75 CO 0.00 -0.19 0.56 -0.06 0.00 0.00 0.00 179.25 179.56 1b64 s PHE 76 N -4.22 3.77 -1.55 0.00 0.40 -1.11 -4.80 117.98 110.48 1b64 s PHE 76 Ca -0.04 -2.14 0.30 0.00 -0.60 0.00 0.00 56.93 54.45 1b64 s PHE 76 Cb 0.12 -4.00 1.55 0.00 0.51 0.00 0.00 43.02 41.20 1b64 s PHE 76 CO 0.38 -1.14 2.05 -1.91 0.70 0.00 0.00 175.22 175.30 1b64 n GLU 77 N 4.32 0.53 -0.22 0.44 0.00 -1.23 -0.49 120.64 123.99 1b64 n GLU 77 Ca 0.23 0.01 0.09 0.00 0.00 0.00 0.00 57.16 57.48 1b64 n GLU 77 Cb 0.44 -1.50 0.24 0.00 0.00 0.00 0.00 31.44 30.63 1b64 n GLU 77 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1b64 n ASP 78 N -1.23 2.59 0.00 4.31 9.92 -1.26 -4.40 116.55 126.49 1b64 n ASP 78 Ca 0.16 -1.95 0.00 0.00 -0.53 0.00 0.00 54.79 52.46 1b64 n ASP 78 Cb 0.21 -0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 1b64 n ASP 78 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1b64 n TYR 79 N 0.92 -0.24 -3.00 1.24 4.02 -1.06 -4.96 117.16 114.08 1b64 n TYR 79 Ca 0.17 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.66 1b64 n TYR 79 Cb 0.43 0.23 -0.04 0.00 -0.02 0.00 0.00 39.34 39.93 1b64 n TYR 79 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1b64 s VAL 80 N -1.45 5.02 -0.01 -0.72 1.01 0.36 -0.48 120.40 124.13 1b64 s VAL 80 Ca 0.00 1.53 -0.02 0.00 0.00 0.00 0.00 61.98 63.48 1b64 s VAL 80 Cb 0.00 -4.08 -0.27 0.00 0.00 0.00 0.00 36.38 32.03 1b64 s VAL 80 CO 0.00 0.24 0.82 -0.61 0.00 0.00 0.00 175.10 175.55 1b64 h GLN 81 N 6.74 0.24 0.00 2.72 4.15 0.20 -3.41 115.11 125.74 1b64 h GLN 81 Ca -0.41 -0.40 0.00 0.00 0.77 0.00 0.00 58.65 58.60 1b64 h GLN 81 Cb 1.20 0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.04 1b64 h GLN 81 CO 0.75 1.09 0.00 0.43 -1.93 0.00 0.00 178.83 179.17 1b64 n SER 82 N -3.43 0.00 -4.86 -0.69 7.64 -1.23 -4.99 113.62 106.05 1b64 n SER 82 Ca -0.17 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.39 1b64 n SER 82 Cb 1.04 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 64.19 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 3.91 0.21 1.43 1.75 -1.26 -3.06 119.30 122.27 1b64 s MET 83 Ca 0.00 0.57 -0.00 0.00 -1.25 0.00 0.00 55.69 55.01 1b64 s MET 83 Cb 0.00 -2.43 0.00 0.00 2.84 0.00 0.00 34.83 35.25 1b64 s MET 83 CO 0.00 0.09 0.27 -0.25 -0.65 0.00 0.00 175.02 174.48 1b64 n ASP 84 N -0.72 -0.76 -4.38 1.11 9.92 -1.21 -5.01 116.55 115.51 1b64 n ASP 84 Ca 0.03 -2.16 -0.34 0.00 -0.53 0.00 0.00 54.79 51.79 1b64 n ASP 84 Cb 0.53 1.44 -0.14 0.00 -0.64 0.00 0.00 41.12 42.32 1b64 n ASP 84 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1b64 s VAL 85 N -2.68 3.28 -0.44 2.53 1.01 -1.26 -3.12 120.40 119.72 1b64 s VAL 85 Ca 0.18 -0.56 0.23 0.00 0.00 0.00 0.00 61.98 61.83 1b64 s VAL 85 Cb -0.00 -2.42 0.13 0.00 0.00 0.00 0.00 36.38 34.09 1b64 s VAL 85 CO 0.13 0.50 1.34 0.00 0.00 0.00 0.00 175.10 177.07 1b64 h ALA 86 N 7.04 0.71 0.00 5.51 0.00 -0.17 -3.46 119.26 128.88 1b64 h ALA 86 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1b64 h ALA 86 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1b64 h ALA 86 CO 0.58 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1b64 n ALA 87 N -2.03 0.00 -3.42 0.00 0.00 -1.20 -4.97 120.51 108.88 1b64 n ALA 87 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.22 1b64 n ALA 87 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 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 0.29 0.38 0.00 5.36 -1.26 -3.87 117.98 116.88 1b64 s PHE 88 Ca 0.00 -1.29 -0.08 0.00 -0.96 0.00 0.00 56.93 54.61 1b64 s PHE 88 Cb 0.00 -0.70 0.03 0.00 -0.34 0.00 0.00 43.02 42.01 1b64 s PHE 88 CO 0.00 -0.89 0.63 0.09 -1.46 0.00 0.00 175.22 173.59 1b64 n ASN 89 N 4.13 -1.80 -4.94 6.13 4.13 -1.24 -5.05 115.26 116.63 1b64 n ASN 89 Ca 0.12 -2.80 -0.24 0.00 1.68 0.00 0.00 54.58 53.33 1b64 n ASN 89 Cb 0.40 3.16 0.01 0.00 -1.54 0.00 0.00 39.78 41.81 1b64 n ASN 89 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1b64 s LYS 90 N -2.50 3.12 0.00 3.52 2.20 -1.26 0.65 119.74 125.47 1b64 s LYS 90 Ca 0.24 -0.27 0.18 0.00 -0.36 0.00 0.00 55.97 55.76 1b64 s LYS 90 Cb -0.03 -2.47 0.15 0.00 -1.51 0.00 0.00 37.83 33.96 1b64 s LYS 90 CO 0.17 -0.33 1.08 0.44 -0.36 0.00 0.00 175.35 176.35