#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 -1.13 0.23 4.03 2.96 -1.26 -5.16 118.68 118.35 1b64 s LEU 2 Ca 0.00 0.83 -0.14 0.00 -0.22 0.00 0.00 54.13 54.60 1b64 s LEU 2 Cb 0.00 2.00 0.01 0.00 0.50 0.00 0.00 46.19 48.69 1b64 s LEU 2 CO 0.00 -0.21 0.49 -0.69 -1.32 0.00 0.00 176.35 174.62 1b64 s VAL 3 N 2.86 0.01 -0.38 1.68 1.01 -1.26 -5.03 120.40 119.29 1b64 s VAL 3 Ca 0.12 -1.22 -0.15 0.00 0.00 0.00 0.00 61.98 60.74 1b64 s VAL 3 Cb -0.13 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.28 1b64 s VAL 3 CO -0.19 -0.06 0.45 0.00 0.00 0.00 0.00 175.10 175.30 1b64 n ALA 4 N -0.36 -2.97 -2.01 5.51 0.00 -1.26 -4.77 120.51 114.65 1b64 n ALA 4 Ca -0.04 0.85 -0.20 0.00 0.00 0.00 0.00 53.44 54.05 1b64 n ALA 4 Cb 0.62 -2.80 0.05 0.00 0.00 0.00 0.00 19.45 17.32 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 -2.29 2.39 0.25 0.00 -0.14 -1.26 -1.76 119.74 116.93 1b64 s LYS 5 Ca 0.20 -1.27 -0.15 0.00 -1.36 0.00 0.00 55.97 53.39 1b64 s LYS 5 Cb -0.05 -2.59 0.00 0.00 -1.68 0.00 0.00 37.83 33.51 1b64 s LYS 5 CO 0.75 -0.77 0.53 -1.12 -0.76 0.00 0.00 175.35 173.98 1b64 s SER 6 N -4.54 -0.14 0.01 2.83 0.01 0.59 -3.82 113.70 108.64 1b64 s SER 6 Ca 0.60 -0.83 -0.04 0.00 1.31 0.00 0.00 55.95 56.99 1b64 s SER 6 Cb -0.08 0.61 -0.01 0.00 0.21 0.00 0.00 66.02 66.76 1b64 s SER 6 CO 0.38 -1.18 0.06 -0.55 0.41 0.00 0.00 173.24 172.37 1b64 s SER 7 N -2.99 0.10 -0.05 2.44 0.15 -1.20 0.19 113.70 112.34 1b64 s SER 7 Ca 0.19 -0.28 -0.02 0.00 0.70 0.00 0.00 55.95 56.55 1b64 s SER 7 Cb -0.02 0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.48 1b64 s SER 7 CO 0.08 -0.29 0.09 -0.63 1.20 0.00 0.00 173.24 173.68 1b64 s ILE 8 N -1.21 -0.10 -0.06 6.45 1.09 -0.74 -3.76 121.20 122.87 1b64 s ILE 8 Ca -0.13 0.28 -0.13 0.00 -1.10 0.00 0.00 60.65 59.57 1b64 s ILE 8 Cb -0.08 -0.17 -0.05 0.00 -1.06 0.00 0.00 42.46 41.10 1b64 s ILE 8 CO 0.00 0.12 0.34 -0.22 -0.10 0.00 0.00 174.94 175.07 1b64 s LEU 9 N 1.55 4.41 0.23 2.97 2.96 -1.25 -2.90 118.68 126.64 1b64 s LEU 9 Ca -0.04 0.77 0.09 0.00 -0.22 0.00 0.00 54.13 54.73 1b64 s LEU 9 Cb -0.12 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.07 1b64 s LEU 9 CO -0.04 0.28 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.35 1b64 s LEU 10 N -0.70 2.57 -0.31 -0.68 1.02 -0.77 -1.51 118.68 118.30 1b64 s LEU 10 Ca 0.21 -1.03 0.00 0.00 0.02 0.00 0.00 54.13 53.33 1b64 s LEU 10 Cb -0.15 -0.81 0.14 0.00 0.02 0.00 0.00 46.19 45.39 1b64 s LEU 10 CO 0.10 -0.11 0.31 -0.62 0.02 0.00 0.00 176.35 176.05 1b64 s ASP 11 N -3.39 1.58 0.08 2.29 -1.08 -1.25 -2.14 116.67 112.76 1b64 s ASP 11 Ca 0.25 -0.97 0.01 0.00 -0.52 0.00 0.00 52.55 51.32 1b64 s ASP 11 Cb -0.02 0.51 -0.04 0.00 -1.46 0.00 0.00 42.92 41.91 1b64 s ASP 11 CO 0.10 -0.36 0.17 -0.69 0.52 0.00 0.00 175.17 174.91 1b64 s VAL 12 N 2.12 5.07 -0.08 1.11 1.01 -0.71 -3.41 120.40 125.52 1b64 s VAL 12 Ca 0.11 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1b64 s VAL 12 Cb -0.14 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1b64 s VAL 12 CO -0.26 0.10 -0.06 -0.75 0.00 0.00 0.00 175.10 174.14 1b64 s LYS 13 N -2.57 2.83 0.71 2.72 2.20 -1.20 -2.22 119.74 122.21 1b64 s LYS 13 Ca 0.33 -0.52 -0.11 0.00 -0.36 0.00 0.00 55.97 55.31 1b64 s LYS 13 Cb -0.12 -2.64 0.02 0.00 -1.51 0.00 0.00 37.83 33.57 1b64 s LYS 13 CO 0.26 0.65 1.07 -1.25 -0.36 0.00 0.00 175.35 175.72 1b64 s PRO 14 N -0.77 2.78 0.13 4.03 0.04 -1.26 0.17 135.00 140.12 1b64 s PRO 14 Ca 0.12 0.89 -0.07 0.00 0.04 0.00 0.00 61.00 61.98 1b64 s PRO 14 Cb -0.11 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 1b64 s PRO 14 CO 0.02 -1.19 1.33 -1.49 0.04 0.00 0.00 177.00 175.71 1b64 h TRP 15 N -0.78 0.80 -2.93 0.56 -0.00 -1.36 -3.38 115.95 108.86 1b64 h TRP 15 Ca -0.44 -0.38 0.01 0.00 -0.00 0.00 0.00 58.89 58.08 1b64 h TRP 15 Cb 1.22 -0.11 -0.00 0.00 -0.00 0.00 0.00 29.16 30.26 1b64 h TRP 15 CO 0.59 1.19 0.32 -0.51 -0.00 0.00 0.00 178.44 180.03 1b64 s ASP 16 N -7.09 -0.00 0.39 -3.49 1.01 -1.26 -5.00 116.67 101.23 1b64 s ASP 16 Ca -0.08 -1.06 0.07 0.00 0.71 0.00 0.00 52.55 52.19 1b64 s ASP 16 Cb 0.09 0.80 0.80 0.00 1.01 0.00 0.00 42.92 45.62 1b64 s ASP 16 CO 0.88 -1.58 2.02 -0.78 0.21 0.00 0.00 175.17 175.91 1b64 h ASP 17 N 2.00 0.47 -0.40 0.27 1.82 -1.93 -0.59 116.42 118.07 1b64 h ASP 17 Ca -0.31 -0.03 0.09 0.00 -0.39 0.00 0.00 57.03 56.39 1b64 h ASP 17 Cb 1.25 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 41.12 1b64 h ASP 17 CO 0.39 0.39 0.28 1.05 -1.61 0.00 0.00 179.24 179.74 1b64 h GLU 18 N 0.54 0.14 -5.08 0.28 4.11 -1.95 -3.42 114.58 109.20 1b64 h GLU 18 Ca 0.14 -0.01 -0.47 0.00 0.07 0.00 0.00 59.36 59.09 1b64 h GLU 18 Cb 0.03 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 1b64 h GLU 18 CO -0.02 0.09 1.74 2.41 0.07 0.00 0.00 179.01 183.30 1b64 n THR 19 N -4.45 -0.01 -1.52 -1.06 -1.04 -0.23 -4.63 114.28 101.33 1b64 n THR 19 Ca 0.06 -0.16 -0.29 0.00 -2.04 0.00 0.00 64.05 61.63 1b64 n THR 19 Cb 0.37 -0.77 -0.14 0.00 -1.82 0.00 0.00 70.33 67.98 1b64 n THR 19 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1b64 n ASP 20 N 10.85 0.45 0.05 8.00 -0.08 -1.26 -4.70 116.55 129.85 1b64 n ASP 20 Ca 0.62 -0.51 0.04 0.00 -1.51 0.00 0.00 54.79 53.43 1b64 n ASP 20 Cb 0.11 -1.08 0.42 0.00 2.34 0.00 0.00 41.12 42.92 1b64 n ASP 20 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1b64 h MET 21 N 13.35 0.43 -0.36 -0.67 2.86 -1.87 0.58 114.93 129.25 1b64 h MET 21 Ca -0.05 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.41 1b64 h MET 21 Cb 1.19 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 1b64 h MET 21 CO 1.34 0.35 -0.32 0.00 1.06 0.00 0.00 176.91 179.34 1b64 h ALA 22 N 1.72 0.74 0.08 6.32 0.00 -1.98 0.11 119.26 126.24 1b64 h ALA 22 Ca 0.11 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1b64 h ALA 22 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1b64 h ALA 22 CO -0.01 0.66 -0.04 -0.22 0.00 0.00 0.00 179.25 179.64 1b64 h LYS 23 N 0.68 -0.10 -0.90 0.00 1.63 -1.66 0.59 116.57 116.82 1b64 h LYS 23 Ca 0.07 0.01 0.12 0.00 -0.85 0.00 0.00 60.65 60.00 1b64 h LYS 23 Cb 0.87 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 32.44 1b64 h LYS 23 CO 0.08 0.46 0.52 1.25 -3.45 0.00 0.00 179.45 178.31 1b64 h LEU 24 N -0.79 0.72 -0.06 5.20 6.46 0.12 1.42 115.31 128.38 1b64 h LEU 24 Ca -0.01 0.06 -0.15 0.00 -0.12 0.00 0.00 57.88 57.66 1b64 h LEU 24 Cb 0.60 -0.07 0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1b64 h LEU 24 CO 0.02 0.37 -0.56 -0.08 -0.62 0.00 0.00 178.44 177.57 1b64 h GLU 25 N 0.81 0.48 0.82 1.25 4.81 -0.80 -2.86 114.58 119.09 1b64 h GLU 25 Ca 0.46 -0.44 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1b64 h GLU 25 Cb 0.51 0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.01 1b64 h GLU 25 CO -0.29 1.08 -0.39 0.93 -0.73 0.00 0.00 179.01 179.60 1b64 h GLU 26 N 0.03 -1.06 -0.73 1.92 4.39 0.13 -2.53 114.58 116.72 1b64 h GLU 26 Ca -0.05 0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.80 1b64 h GLU 26 Cb 1.23 0.24 -0.11 0.00 -0.10 0.00 0.00 28.75 30.01 1b64 h GLU 26 CO 0.11 -0.70 -0.53 0.00 -1.16 0.00 0.00 179.01 176.74 1b64 h VAL 28 N -0.17 0.03 -0.10 0.00 2.07 -1.45 0.57 116.25 117.21 1b64 h VAL 28 Ca 0.16 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 1b64 h VAL 28 Cb 0.52 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1b64 h VAL 28 CO -0.79 0.00 -0.01 -0.09 0.02 0.00 0.00 177.57 176.70 1b64 h ARG 29 N -0.00 0.18 -0.71 1.57 2.43 0.63 -3.08 114.38 115.39 1b64 h ARG 29 Ca 0.44 -0.06 0.15 0.00 -0.81 0.00 0.00 59.98 59.70 1b64 h ARG 29 Cb 0.68 -0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 30.09 1b64 h ARG 29 CO -0.99 0.46 -0.04 0.66 -1.51 0.00 0.00 179.97 178.56 1b64 h SER 30 N -0.13 -0.40 -1.07 -3.80 4.64 0.61 -3.41 113.55 109.99 1b64 h SER 30 Ca 0.03 0.19 -0.78 0.00 -0.47 0.00 0.00 61.79 60.76 1b64 h SER 30 Cb 0.39 0.35 0.05 0.00 -0.31 0.00 0.00 62.40 62.88 1b64 h SER 30 CO 0.01 -0.18 0.09 -0.38 -0.87 0.00 0.00 176.83 175.51 1b64 n ILE 31 N -5.36 0.02 -4.04 0.95 5.41 0.13 -4.95 119.36 111.53 1b64 n ILE 31 Ca 0.11 -0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.73 1b64 n ILE 31 Cb 0.42 -0.08 -0.12 0.00 -0.71 0.00 0.00 39.64 39.14 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 0.04 0.37 0.26 0.38 2.00 -1.26 -4.96 119.66 116.49 1b64 s GLN 32 Ca 0.90 -0.47 -0.19 0.00 -2.00 0.00 0.00 55.36 53.60 1b64 s GLN 32 Cb -1.24 -0.18 0.02 0.00 0.80 0.00 0.00 33.01 32.41 1b64 s GLN 32 CO 0.56 0.03 0.66 0.00 -0.50 0.00 0.00 175.29 176.04 1b64 s ALA 33 N -0.88 -1.04 0.46 1.58 0.00 -1.26 -5.09 121.76 115.52 1b64 s ALA 33 Ca -0.07 -0.38 -0.23 0.00 0.00 0.00 0.00 51.96 51.29 1b64 s ALA 33 Cb -0.07 0.89 -0.07 0.00 0.00 0.00 0.00 23.12 23.87 1b64 s ALA 33 CO -0.00 -0.98 1.16 0.34 0.00 0.00 0.00 175.76 176.28 1b64 s ASP 34 N -2.93 6.17 -1.17 0.00 2.15 -1.26 -2.49 116.67 117.14 1b64 s ASP 34 Ca 0.13 2.30 0.00 0.00 0.43 0.00 0.00 52.55 55.41 1b64 s ASP 34 Cb -0.05 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1b64 s ASP 34 CO 0.06 -0.92 0.00 0.61 -0.17 0.00 0.00 175.17 174.75 1b64 n GLY 35 N 0.44 0.86 3.55 2.66 0.00 -1.26 -4.84 105.19 106.60 1b64 n GLY 35 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.79 3.25 -0.01 0.99 2.96 -1.04 -3.02 118.68 118.03 1b64 s LEU 36 Ca 0.00 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 1b64 s LEU 36 Cb 0.00 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 1b64 s LEU 36 CO 0.00 0.27 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.48 1b64 s VAL 37 N -0.26 1.05 -0.50 1.68 1.01 -0.65 -4.68 120.40 118.05 1b64 s VAL 37 Ca 0.04 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 1b64 s VAL 37 Cb -0.13 -0.88 0.13 0.00 0.00 0.00 0.00 36.38 35.51 1b64 s VAL 37 CO 0.02 0.30 0.36 0.26 0.00 0.00 0.00 175.10 176.04 1b64 s TRP 38 N -0.31 3.48 0.00 5.22 0.23 -1.26 0.11 118.94 126.40 1b64 s TRP 38 Ca 0.05 -2.11 0.00 0.00 -2.03 0.00 0.00 56.10 52.01 1b64 s TRP 38 Cb -0.05 -3.42 0.00 0.00 0.03 0.00 0.00 33.47 30.02 1b64 s TRP 38 CO -0.01 -0.97 0.00 0.41 0.96 0.00 0.00 176.95 177.35 1b64 n GLY 39 N 4.58 -2.26 2.87 0.98 0.00 -1.11 -4.95 105.19 105.30 1b64 n GLY 39 Ca -0.03 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.86 0.43 0.66 1.61 0.15 -1.25 -4.99 113.70 108.45 1b64 s SER 40 Ca 0.00 -0.05 -0.04 0.00 0.70 0.00 0.00 55.95 56.56 1b64 s SER 40 Cb 0.00 -0.15 0.05 0.00 -1.71 0.00 0.00 66.02 64.21 1b64 s SER 40 CO 0.00 -0.03 0.94 -0.94 1.20 0.00 0.00 173.24 174.41 1b64 s SER 41 N 0.49 4.96 0.02 5.45 1.04 -1.26 -3.32 113.70 121.08 1b64 s SER 41 Ca -0.05 0.32 -0.01 0.00 0.48 0.00 0.00 55.95 56.69 1b64 s SER 41 Cb -0.08 -1.04 -0.02 0.00 0.10 0.00 0.00 66.02 64.98 1b64 s SER 41 CO -0.01 -1.46 -0.01 -0.54 0.98 0.00 0.00 173.24 172.21 1b64 s LYS 42 N -5.10 0.36 0.17 4.02 1.02 -0.73 -4.91 119.74 114.56 1b64 s LYS 42 Ca 0.59 -0.63 0.11 0.00 0.02 0.00 0.00 55.97 56.06 1b64 s LYS 42 Cb -0.11 0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.29 1b64 s LYS 42 CO 0.43 -0.06 -0.25 -0.51 -0.92 0.00 0.00 175.35 174.04 1b64 s LEU 43 N -1.57 2.41 -0.32 3.17 2.01 -1.26 -3.28 118.68 119.83 1b64 s LEU 43 Ca -0.14 -0.82 0.04 0.00 0.01 0.00 0.00 54.13 53.22 1b64 s LEU 43 Cb -0.08 -1.20 0.17 0.00 0.01 0.00 0.00 46.19 45.08 1b64 s LEU 43 CO -0.01 0.14 0.46 -0.69 1.01 0.00 0.00 176.35 177.25 1b64 s VAL 44 N -1.46 -0.67 0.21 -1.59 1.01 -1.25 -4.94 120.40 111.71 1b64 s VAL 44 Ca 0.19 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 1b64 s VAL 44 Cb -0.09 -0.78 -0.08 0.00 0.00 0.00 0.00 36.38 35.43 1b64 s VAL 44 CO 0.09 -0.27 1.10 -2.16 0.00 0.00 0.00 175.10 173.86 1b64 s PRO 45 N 2.26 4.61 -0.22 2.72 0.04 -1.26 -1.30 135.00 141.84 1b64 s PRO 45 Ca 0.12 1.75 -0.16 0.00 0.04 0.00 0.00 61.00 62.75 1b64 s PRO 45 Cb -0.11 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 31.09 1b64 s PRO 45 CO -0.21 0.12 -0.28 0.28 0.04 0.00 0.00 177.00 176.94 1b64 n VAL 46 N 2.00 1.51 -3.32 -0.36 0.31 -1.24 -4.97 118.33 112.25 1b64 n VAL 46 Ca 0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1b64 n VAL 46 Cb 0.46 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 1b64 n VAL 46 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1b64 n GLY 47 N 1.39 -0.68 5.54 2.92 0.00 -1.26 -5.07 105.19 108.03 1b64 n GLY 47 Ca -0.31 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 2.91 0.00 -1.80 1.61 4.01 -1.26 -1.62 117.16 121.01 1b64 n TYR 48 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.70 1b64 n TYR 48 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 38.99 1b64 n TYR 48 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1b64 n GLY 49 N 0.00 0.28 3.69 2.72 0.00 -1.26 -5.14 105.19 105.48 1b64 n GLY 49 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 2.86 0.14 -0.61 -1.09 -0.64 -4.54 121.20 117.32 1b64 s ILE 50 Ca 0.00 -1.80 -0.09 0.00 -2.23 0.00 0.00 60.65 56.53 1b64 s ILE 50 Cb 0.00 -2.91 -0.00 0.00 -1.58 0.00 0.00 42.46 37.97 1b64 s ILE 50 CO 0.00 -0.18 0.26 -0.54 -1.23 0.00 0.00 174.94 173.24 1b64 s LYS 51 N -3.80 1.05 -0.06 2.79 3.01 -1.26 -3.60 119.74 117.87 1b64 s LYS 51 Ca 0.37 -1.09 -0.25 0.00 -1.01 0.00 0.00 55.97 53.98 1b64 s LYS 51 Cb -0.01 0.37 -0.03 0.00 -1.01 0.00 0.00 37.83 37.14 1b64 s LYS 51 CO 0.21 -0.37 0.80 0.21 0.51 0.00 0.00 175.35 176.71 1b64 s LYS 52 N -3.93 4.45 -1.21 1.68 2.20 -0.42 -4.67 119.74 117.84 1b64 s LYS 52 Ca 0.13 1.05 -0.04 0.00 -0.36 0.00 0.00 55.97 56.74 1b64 s LYS 52 Cb 0.04 -3.47 0.20 0.00 -1.51 0.00 0.00 37.83 33.09 1b64 s LYS 52 CO -0.04 -0.03 2.09 -0.11 -0.36 0.00 0.00 175.35 176.90 1b64 n LEU 53 N 4.03 7.56 -4.83 5.43 -0.00 -0.94 -3.93 117.00 124.33 1b64 n LEU 53 Ca 0.02 -5.04 -0.38 0.00 -0.00 0.00 0.00 56.01 50.60 1b64 n LEU 53 Cb 0.51 -1.31 -0.06 0.00 -0.00 0.00 0.00 43.42 42.56 1b64 n LEU 53 CO 0.49 1.95 0.12 -1.58 -0.00 0.00 0.00 177.39 178.37 1b64 s GLN 54 N -2.10 3.96 0.13 1.96 0.74 -1.21 -1.73 119.66 121.41 1b64 s GLN 54 Ca 0.46 0.43 -0.09 0.00 0.05 0.00 0.00 55.36 56.21 1b64 s GLN 54 Cb 0.17 -3.24 -0.01 0.00 1.10 0.00 0.00 33.01 31.03 1b64 s GLN 54 CO -0.08 0.65 0.24 0.96 -0.55 0.00 0.00 175.29 176.51 1b64 s ILE 55 N -0.97 0.10 0.02 -2.34 -0.00 -0.91 -1.77 121.20 115.34 1b64 s ILE 55 Ca 0.24 -1.29 0.05 0.00 -0.00 0.00 0.00 60.65 59.65 1b64 s ILE 55 Cb -0.17 -1.61 -0.02 0.00 -0.00 0.00 0.00 42.46 40.67 1b64 s ILE 55 CO 0.13 -0.46 -0.14 -1.58 -0.00 0.00 0.00 174.94 172.90 1b64 s GLN 56 N -3.92 0.98 0.09 0.37 2.00 -1.21 -1.85 119.66 116.12 1b64 s GLN 56 Ca 0.11 -0.65 0.00 0.00 -2.00 0.00 0.00 55.36 52.83 1b64 s GLN 56 Cb 0.04 -0.97 -0.04 0.00 0.80 0.00 0.00 33.01 32.83 1b64 s GLN 56 CO -0.05 0.25 -0.04 0.00 -0.50 0.00 0.00 175.29 174.95 1b64 s VAL 58 N -3.79 2.00 0.72 0.00 1.01 0.12 -1.79 120.40 118.67 1b64 s VAL 58 Ca 0.12 -2.29 -0.07 0.00 0.00 0.00 0.00 61.98 59.73 1b64 s VAL 58 Cb 0.07 -2.47 0.07 0.00 0.00 0.00 0.00 36.38 34.05 1b64 s VAL 58 CO -0.06 -0.65 1.04 0.68 0.00 0.00 0.00 175.10 176.11 1b64 s VAL 59 N 0.87 2.24 -1.15 2.92 -7.23 0.50 -1.63 120.40 116.91 1b64 s VAL 59 Ca 0.12 -0.25 -0.15 0.00 -1.81 0.00 0.00 61.98 59.89 1b64 s VAL 59 Cb -0.20 -2.99 0.15 0.00 0.56 0.00 0.00 36.38 33.91 1b64 s VAL 59 CO -0.10 0.00 1.40 -0.70 -0.31 0.00 0.00 175.10 175.39 1b64 s GLU 60 N -5.29 3.97 0.66 4.82 2.12 -1.17 0.22 118.70 124.03 1b64 s GLU 60 Ca 0.61 -2.34 0.00 0.00 0.36 0.00 0.00 54.97 53.60 1b64 s GLU 60 Cb -0.10 -5.08 0.00 0.00 0.26 0.00 0.00 34.13 29.21 1b64 s GLU 60 CO 0.45 -1.82 0.00 -3.47 -0.54 0.00 0.00 175.26 169.88 1b64 n ASP 61 N 6.13 0.00 -1.04 -1.70 2.03 -0.72 0.10 116.55 121.35 1b64 n ASP 61 Ca 0.35 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.67 1b64 n ASP 61 Cb 0.44 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 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 1.62 0.42 -0.06 1.67 2.03 -1.26 -4.57 116.55 116.40 1b64 n ASP 62 Ca 0.00 -1.94 -0.05 0.00 0.52 0.00 0.00 54.79 53.32 1b64 n ASP 62 Cb 0.00 -0.20 -0.03 0.00 -0.72 0.00 0.00 41.12 40.17 1b64 n ASP 62 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1b64 h LYS 63 N 0.50 0.00 -5.08 -0.67 1.63 0.34 -3.43 116.57 109.87 1b64 h LYS 63 Ca -0.16 0.00 -0.67 0.00 -0.85 0.00 0.00 60.65 58.97 1b64 h LYS 63 Cb 1.63 0.00 -0.17 0.00 -0.60 0.00 0.00 32.23 33.09 1b64 h LYS 63 CO 0.03 0.21 0.18 0.08 -3.45 0.00 0.00 179.45 176.49 1b64 s VAL 64 N -1.92 4.75 0.47 2.00 1.01 -1.26 -4.95 120.40 120.51 1b64 s VAL 64 Ca -0.09 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 1b64 s VAL 64 Cb 0.01 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1b64 s VAL 64 CO 0.20 -0.97 0.76 -0.83 0.00 0.00 0.00 175.10 174.27 1b64 s GLY 65 N 2.98 1.49 0.00 4.51 0.00 -1.26 -4.56 107.32 110.47 1b64 s GLY 65 Ca 0.17 -0.58 0.16 0.00 0.00 0.00 0.00 44.72 44.47 1b64 s GLY 65 CO 0.12 -0.42 1.51 2.41 0.00 0.00 0.00 173.10 176.72 1b64 n THR 66 N -2.22 0.77 0.18 0.90 -1.04 -1.26 -3.45 114.28 108.16 1b64 n THR 66 Ca 0.00 0.19 -0.11 0.00 -2.04 0.00 0.00 64.05 62.09 1b64 n THR 66 Cb 0.55 -0.91 -0.06 0.00 -1.82 0.00 0.00 70.33 68.09 1b64 n THR 66 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 1b64 h ASP 67 N 0.00 -0.88 0.57 8.00 2.03 -1.97 1.35 116.42 125.52 1b64 h ASP 67 Ca 0.00 0.07 -0.03 0.00 -0.73 0.00 0.00 57.03 56.34 1b64 h ASP 67 Cb 0.24 0.29 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 1b64 h ASP 67 CO 0.00 -0.42 -0.28 -0.03 -1.03 0.00 0.00 179.24 177.49 1b64 h MET 68 N -0.62 -0.74 -0.93 4.15 4.05 -1.98 0.16 114.93 119.01 1b64 h MET 68 Ca -0.04 0.05 0.19 0.00 -0.28 0.00 0.00 59.70 59.62 1b64 h MET 68 Cb 0.54 0.17 -0.11 0.00 -0.80 0.00 0.00 31.60 31.40 1b64 h MET 68 CO -0.05 -0.49 0.51 -0.07 0.23 0.00 0.00 176.91 177.04 1b64 h LEU 69 N -0.77 0.60 0.21 3.39 3.38 -1.63 0.18 115.31 120.67 1b64 h LEU 69 Ca -0.08 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1b64 h LEU 69 Cb 0.59 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1b64 h LEU 69 CO 0.12 0.17 -0.10 -0.08 0.09 0.00 0.00 178.44 178.65 1b64 h GLU 70 N 0.62 -0.27 0.00 1.13 4.81 0.23 1.42 114.58 122.52 1b64 h GLU 70 Ca 0.55 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.80 1b64 h GLU 70 Cb 0.91 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1b64 h GLU 70 CO -0.42 -0.03 0.00 0.39 -0.73 0.00 0.00 179.01 178.22 1b64 n GLU 71 N -5.12 0.12 -0.13 1.92 1.02 0.52 0.17 120.64 119.13 1b64 n GLU 71 Ca -0.09 0.61 -0.23 0.00 -0.02 0.00 0.00 57.16 57.43 1b64 n GLU 71 Cb 0.20 -1.87 -0.11 0.00 -0.02 0.00 0.00 31.44 29.63 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 -2.12 0.63 0.03 3.49 -0.06 0.45 -3.37 117.38 116.43 1b64 n GLN 72 Ca -0.01 0.21 -0.10 0.00 -2.00 0.00 0.00 57.00 55.09 1b64 n GLN 72 Cb 0.03 -1.52 -0.08 0.00 -4.06 0.00 0.00 30.24 24.61 1b64 n GLN 72 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 1b64 h ILE 73 N -0.42 0.92 0.00 1.69 2.04 0.27 -3.13 117.51 118.87 1b64 h ILE 73 Ca -0.62 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 63.97 1b64 h ILE 73 Cb 1.78 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1b64 h ILE 73 CO -0.22 0.25 0.00 0.35 0.00 0.00 0.00 178.15 178.53 1b64 n THR 74 N -4.87 0.12 0.23 -0.27 -2.24 0.44 -2.97 114.28 104.72 1b64 n THR 74 Ca -0.07 0.03 0.15 0.00 -2.27 0.00 0.00 64.05 61.88 1b64 n THR 74 Cb 0.27 -0.66 0.76 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 3.31 1.00 -2.74 6.98 0.00 -1.50 -3.33 119.26 122.99 1b64 h ALA 75 Ca 0.00 0.00 -0.78 0.00 0.00 0.00 0.00 54.91 54.13 1b64 h ALA 75 Cb 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.62 1b64 h ALA 75 CO 0.00 0.00 0.15 -0.06 0.00 0.00 0.00 179.25 179.34 1b64 s PHE 76 N -3.70 3.71 -1.13 0.00 0.08 -1.16 -4.83 117.98 110.95 1b64 s PHE 76 Ca -0.02 -1.94 0.29 0.00 0.12 0.00 0.00 56.93 55.37 1b64 s PHE 76 Cb 0.08 -3.86 1.29 0.00 -0.57 0.00 0.00 43.02 39.97 1b64 s PHE 76 CO 0.28 -1.03 1.94 -1.91 -0.10 0.00 0.00 175.22 174.41 1b64 n GLU 77 N 4.19 0.13 -0.33 0.44 0.00 -1.25 -0.40 120.64 123.42 1b64 n GLU 77 Ca 0.14 0.01 0.06 0.00 0.00 0.00 0.00 57.16 57.37 1b64 n GLU 77 Cb 0.47 -1.50 0.21 0.00 0.00 0.00 0.00 31.44 30.62 1b64 n GLU 77 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1b64 n ASP 78 N -1.43 2.84 0.00 4.31 2.03 -1.26 -4.31 116.55 118.73 1b64 n ASP 78 Ca 0.09 -2.20 0.00 0.00 0.52 0.00 0.00 54.79 53.20 1b64 n ASP 78 Cb 0.30 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 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 0.60 -0.43 -2.88 -0.67 4.02 -1.09 -4.94 117.16 111.77 1b64 n TYR 79 Ca 0.15 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.63 1b64 n TYR 79 Cb 0.53 0.19 -0.04 0.00 -0.02 0.00 0.00 39.34 39.99 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 -1.37 4.90 -0.02 -0.72 1.01 0.47 -1.00 120.40 123.66 1b64 s VAL 80 Ca 0.00 1.67 -0.09 0.00 0.00 0.00 0.00 61.98 63.55 1b64 s VAL 80 Cb 0.00 -4.15 -0.31 0.00 0.00 0.00 0.00 36.38 31.92 1b64 s VAL 80 CO 0.00 0.07 0.76 -0.61 0.00 0.00 0.00 175.10 175.32 1b64 h GLN 81 N 7.19 0.38 -0.03 2.72 4.15 0.14 -3.42 115.11 126.25 1b64 h GLN 81 Ca -0.32 -0.64 0.29 0.00 0.77 0.00 0.00 58.65 58.75 1b64 h GLN 81 Cb 1.15 0.24 -0.23 0.00 0.21 0.00 0.00 27.48 28.85 1b64 h GLN 81 CO 0.82 1.28 0.38 -1.12 -1.93 0.00 0.00 178.83 178.26 1b64 s SER 82 N -7.25 -0.03 0.37 -0.69 0.01 -1.22 -5.00 113.70 99.89 1b64 s SER 82 Ca -0.13 0.03 -0.14 0.00 1.31 0.00 0.00 55.95 57.01 1b64 s SER 82 Cb 0.06 1.03 -0.08 0.00 0.21 0.00 0.00 66.02 67.23 1b64 s SER 82 CO 0.87 -0.01 0.77 -0.32 0.41 0.00 0.00 173.24 174.96 1b64 s MET 83 N 2.74 3.95 0.16 12.44 1.75 -1.26 -3.24 119.30 135.84 1b64 s MET 83 Ca -0.08 0.66 0.01 0.00 -1.25 0.00 0.00 55.69 55.03 1b64 s MET 83 Cb -0.06 -2.38 -0.00 0.00 2.84 0.00 0.00 34.83 35.22 1b64 s MET 83 CO -0.09 0.06 0.18 -0.25 -0.65 0.00 0.00 175.02 174.28 1b64 n ASP 84 N -0.73 -0.50 -4.56 1.11 9.92 -1.22 -5.01 116.55 115.57 1b64 n ASP 84 Ca 0.04 -1.98 -0.34 0.00 -0.53 0.00 0.00 54.79 51.98 1b64 n ASP 84 Cb 0.53 1.01 -0.12 0.00 -0.64 0.00 0.00 41.12 41.91 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 -2.63 3.61 -0.15 2.53 1.01 -1.26 -3.79 120.40 119.72 1b64 s VAL 85 Ca 0.17 -0.51 0.19 0.00 0.00 0.00 0.00 61.98 61.82 1b64 s VAL 85 Cb 0.00 -2.48 -0.26 0.00 0.00 0.00 0.00 36.38 33.64 1b64 s VAL 85 CO 0.12 0.59 0.26 0.00 0.00 0.00 0.00 175.10 176.06 1b64 n ALA 86 N 2.37 1.85 0.00 5.51 0.00 -0.57 -4.86 120.51 124.81 1b64 n ALA 86 Ca -0.18 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.21 1b64 n ALA 86 Cb 0.53 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 -2.59 0.00 -3.28 0.00 0.00 -1.20 -4.95 120.51 108.48 1b64 n ALA 87 Ca -0.23 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.14 1b64 n ALA 87 Cb 0.99 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.38 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 -1.12 0.28 0.00 2.19 -1.26 -3.81 117.98 112.26 1b64 s PHE 88 Ca 0.00 0.60 -0.14 0.00 0.33 0.00 0.00 56.93 57.72 1b64 s PHE 88 Cb 0.00 -0.02 0.01 0.00 -1.31 0.00 0.00 43.02 41.70 1b64 s PHE 88 CO 0.00 -0.94 0.57 -0.80 1.83 0.00 0.00 175.22 175.87 1b64 s ASN 89 N 2.60 0.02 0.36 6.13 -0.87 -1.25 -5.11 114.94 116.82 1b64 s ASN 89 Ca 0.11 -0.96 -0.26 0.00 -1.57 0.00 0.00 52.86 50.18 1b64 s ASN 89 Cb -0.13 0.66 -0.09 0.00 -0.02 0.00 0.00 41.25 41.67 1b64 s ASN 89 CO -0.26 -1.27 1.09 -1.59 -2.57 0.00 0.00 177.10 172.49 1b64 s LYS 90 N -3.66 4.28 0.00 -0.60 0.00 -1.26 -3.26 119.74 115.24 1b64 s LYS 90 Ca 0.20 1.67 0.29 0.00 0.00 0.00 0.00 55.97 58.14 1b64 s LYS 90 Cb -0.02 -2.77 1.36 0.00 0.00 0.00 0.00 37.83 36.40 1b64 s LYS 90 CO 0.10 -0.08 1.92 1.51 0.00 0.00 0.00 175.35 178.81