#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 6.20 0.19 4.03 2.34 -1.26 -4.97 118.68 125.20 1b64 s LEU 2 Ca 0.00 -2.48 -0.13 0.00 0.06 0.00 0.00 54.13 51.58 1b64 s LEU 2 Cb 0.00 -2.27 0.01 0.00 -0.56 0.00 0.00 46.19 43.36 1b64 s LEU 2 CO 0.00 -0.73 0.41 0.54 -1.06 0.00 0.00 176.35 175.50 1b64 s VAL 3 N 1.00 0.04 -0.06 1.48 0.11 -1.26 -5.03 120.40 116.67 1b64 s VAL 3 Ca 0.23 -1.15 -0.02 0.00 -2.93 0.00 0.00 61.98 58.12 1b64 s VAL 3 Cb -0.08 -1.78 0.00 0.00 -1.53 0.00 0.00 36.38 32.99 1b64 s VAL 3 CO -0.09 -0.19 0.08 0.00 -3.33 0.00 0.00 175.10 171.57 1b64 n ALA 4 N -0.29 -2.75 -1.96 1.54 0.00 -1.26 -4.78 120.51 111.02 1b64 n ALA 4 Ca -0.08 0.12 -0.25 0.00 0.00 0.00 0.00 53.44 53.23 1b64 n ALA 4 Cb 0.63 -0.43 0.11 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.54 1.69 0.08 0.00 -0.14 -1.26 -2.46 119.74 116.10 1b64 s LYS 5 Ca 0.03 -0.64 -0.15 0.00 -1.36 0.00 0.00 55.97 53.84 1b64 s LYS 5 Cb -0.01 -2.18 0.02 0.00 -1.68 0.00 0.00 37.83 33.99 1b64 s LYS 5 CO 0.10 -1.53 0.34 -1.54 -0.76 0.00 0.00 175.35 171.95 1b64 s SER 6 N -4.67 -0.16 -0.28 2.83 1.04 0.63 -4.13 113.70 108.96 1b64 s SER 6 Ca 0.65 -0.26 -0.00 0.00 0.48 0.00 0.00 55.95 56.82 1b64 s SER 6 Cb -0.07 0.41 0.08 0.00 0.10 0.00 0.00 66.02 66.54 1b64 s SER 6 CO 0.46 -0.72 0.05 -0.55 0.98 0.00 0.00 173.24 173.46 1b64 s SER 7 N -2.41 3.92 0.07 7.02 0.15 -1.19 0.12 113.70 121.38 1b64 s SER 7 Ca -0.01 -1.48 -0.16 0.00 0.70 0.00 0.00 55.95 55.00 1b64 s SER 7 Cb 0.01 -1.00 -0.06 0.00 -1.71 0.00 0.00 66.02 63.25 1b64 s SER 7 CO -0.07 -0.35 0.50 -0.63 1.20 0.00 0.00 173.24 173.89 1b64 s ILE 8 N 1.50 4.88 -0.34 6.45 1.09 -1.25 -4.56 121.20 128.97 1b64 s ILE 8 Ca 0.05 0.96 -0.02 0.00 -1.10 0.00 0.00 60.65 60.54 1b64 s ILE 8 Cb -0.18 -3.79 0.07 0.00 -1.06 0.00 0.00 42.46 37.51 1b64 s ILE 8 CO -0.16 0.48 0.07 -0.22 -0.10 0.00 0.00 174.94 175.01 1b64 s LEU 9 N -1.34 4.39 0.37 2.97 2.96 -1.22 -2.28 118.68 124.52 1b64 s LEU 9 Ca 0.29 -1.56 -0.10 0.00 -0.22 0.00 0.00 54.13 52.54 1b64 s LEU 9 Cb -0.17 -1.75 -0.07 0.00 0.50 0.00 0.00 46.19 44.70 1b64 s LEU 9 CO 0.17 -0.36 0.72 -0.76 -1.32 0.00 0.00 176.35 174.80 1b64 s LEU 10 N 1.20 3.92 -0.30 -0.68 1.02 -0.45 -0.58 118.68 122.79 1b64 s LEU 10 Ca 0.00 1.07 -0.02 0.00 0.02 0.00 0.00 54.13 55.21 1b64 s LEU 10 Cb -0.21 -3.93 0.10 0.00 0.02 0.00 0.00 46.19 42.18 1b64 s LEU 10 CO -0.02 -0.32 0.11 -0.62 0.02 0.00 0.00 176.35 175.51 1b64 s ASP 11 N -3.00 3.90 0.01 2.29 2.15 -1.10 -1.82 116.67 119.11 1b64 s ASP 11 Ca 0.50 -1.55 0.01 0.00 0.43 0.00 0.00 52.55 51.94 1b64 s ASP 11 Cb -0.10 -0.74 -0.04 0.00 -0.30 0.00 0.00 42.92 41.74 1b64 s ASP 11 CO 0.29 -0.42 0.05 -0.69 -0.17 0.00 0.00 175.17 174.22 1b64 s VAL 12 N 1.74 4.47 -0.10 1.11 1.01 0.10 -2.16 120.40 126.58 1b64 s VAL 12 Ca 0.10 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 1b64 s VAL 12 Cb -0.17 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1b64 s VAL 12 CO -0.28 0.34 -0.07 -0.75 0.00 0.00 0.00 175.10 174.34 1b64 s LYS 13 N -1.73 3.04 0.61 2.72 2.20 -1.23 -0.54 119.74 124.80 1b64 s LYS 13 Ca 0.22 -0.56 -0.15 0.00 -0.36 0.00 0.00 55.97 55.13 1b64 s LYS 13 Cb -0.12 -2.67 -0.03 0.00 -1.51 0.00 0.00 37.83 33.50 1b64 s LYS 13 CO 0.13 0.51 1.05 -1.25 -0.36 0.00 0.00 175.35 175.44 1b64 s PRO 14 N -0.40 3.29 0.38 4.03 0.04 -1.26 0.19 135.00 141.27 1b64 s PRO 14 Ca 0.06 1.12 0.10 0.00 0.04 0.00 0.00 61.00 62.32 1b64 s PRO 14 Cb -0.12 -2.03 0.75 0.00 0.04 0.00 0.00 34.50 33.14 1b64 s PRO 14 CO 0.02 -0.83 1.89 -1.49 0.04 0.00 0.00 177.00 176.63 1b64 h TRP 15 N 0.22 0.22 0.00 0.56 -0.00 -1.50 -3.40 115.95 112.05 1b64 h TRP 15 Ca -0.46 -0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.40 1b64 h TRP 15 Cb 1.21 -0.06 0.00 0.00 -0.00 0.00 0.00 29.16 30.31 1b64 h TRP 15 CO 0.60 0.39 0.00 -0.25 -0.00 0.00 0.00 178.44 179.18 1b64 n ASP 16 N -4.23 0.00 0.30 -3.49 8.00 -1.26 -4.97 116.55 110.89 1b64 n ASP 16 Ca -0.01 0.00 0.17 0.00 0.71 0.00 0.00 54.79 55.66 1b64 n ASP 16 Cb 0.30 0.00 0.88 0.00 -0.02 0.00 0.00 41.12 42.28 1b64 n ASP 16 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 1b64 h ASP 17 N 0.00 0.00 -0.46 -2.24 2.03 -1.91 0.28 116.42 114.12 1b64 h ASP 17 Ca 0.00 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.19 1b64 h ASP 17 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 1b64 h ASP 17 CO 0.00 0.00 -0.15 1.05 -1.03 0.00 0.00 179.24 179.11 1b64 h GLU 18 N 0.00 0.91 -5.74 4.15 4.11 -1.93 -3.43 114.58 112.65 1b64 h GLU 18 Ca 0.03 -0.37 -0.63 0.00 0.07 0.00 0.00 59.36 58.46 1b64 h GLU 18 Cb 0.59 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1b64 h GLU 18 CO -0.00 1.02 1.50 2.41 0.07 0.00 0.00 179.01 184.01 1b64 n THR 19 N -4.21 0.08 -1.53 -1.06 -1.04 0.98 -4.69 114.28 102.80 1b64 n THR 19 Ca -0.00 -0.22 -0.28 0.00 -2.04 0.00 0.00 64.05 61.50 1b64 n THR 19 Cb 0.41 -1.33 -0.11 0.00 -1.82 0.00 0.00 70.33 67.48 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 10.31 0.95 -0.32 8.00 2.03 -1.26 -4.73 116.55 131.53 1b64 n ASP 20 Ca 0.49 -0.63 -0.03 0.00 0.52 0.00 0.00 54.79 55.14 1b64 n ASP 20 Cb 0.18 -1.24 0.10 0.00 -0.72 0.00 0.00 41.12 39.43 1b64 n ASP 20 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1b64 h MET 21 N 14.30 1.09 -0.62 -0.67 2.86 -1.88 0.38 114.93 130.40 1b64 h MET 21 Ca -0.08 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1b64 h MET 21 Cb 1.18 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 1b64 h MET 21 CO 1.26 0.72 0.40 0.00 1.06 0.00 0.00 176.91 180.36 1b64 h ALA 22 N 1.33 0.79 -0.42 6.32 0.00 -1.98 0.70 119.26 126.00 1b64 h ALA 22 Ca 0.33 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 1b64 h ALA 22 Cb -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1b64 h ALA 22 CO -0.09 0.19 -0.16 -0.22 0.00 0.00 0.00 179.25 178.97 1b64 h LYS 23 N 0.82 0.86 -0.42 0.00 1.63 -1.74 1.33 116.57 119.05 1b64 h LYS 23 Ca 0.23 -0.36 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 1b64 h LYS 23 Cb -0.07 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 1b64 h LYS 23 CO -0.06 0.99 0.22 1.25 -3.45 0.00 0.00 179.45 178.40 1b64 h LEU 24 N 0.68 0.53 -0.37 5.20 6.46 0.41 0.82 115.31 129.04 1b64 h LEU 24 Ca 0.10 -0.10 -0.19 0.00 -0.12 0.00 0.00 57.88 57.57 1b64 h LEU 24 Cb 0.71 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 1b64 h LEU 24 CO 0.05 0.48 -0.81 -0.08 -0.62 0.00 0.00 178.44 177.46 1b64 h GLU 25 N 0.54 0.21 0.50 1.25 4.81 0.53 -2.87 114.58 119.54 1b64 h GLU 25 Ca 0.15 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1b64 h GLU 25 Cb 0.08 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1b64 h GLU 25 CO -0.02 0.91 -0.24 1.49 -0.73 0.00 0.00 179.01 180.42 1b64 h GLU 26 N 0.13 -0.65 -0.62 1.92 4.81 0.22 -2.56 114.58 117.83 1b64 h GLU 26 Ca -0.03 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1b64 h GLU 26 Cb 1.41 0.15 -0.12 0.00 0.63 0.00 0.00 28.75 30.82 1b64 h GLU 26 CO 0.12 -0.38 -0.36 0.00 -0.73 0.00 0.00 179.01 177.66 1b64 n VAL 28 N -5.43 0.00 -0.21 0.00 0.31 -1.08 0.19 118.33 112.11 1b64 n VAL 28 Ca 0.04 1.32 0.31 0.00 -0.01 0.00 0.00 64.34 66.00 1b64 n VAL 28 Cb 0.36 -1.94 0.72 0.00 -0.91 0.00 0.00 33.84 32.07 1b64 n VAL 28 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1b64 h ARG 29 N 0.00 0.00 0.00 5.55 0.11 -0.94 1.46 114.38 120.55 1b64 h ARG 29 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1b64 h ARG 29 Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 1b64 h ARG 29 CO 0.00 0.00 -0.06 0.66 0.10 0.00 0.00 179.97 180.67 1b64 h SER 30 N 0.00 0.00 -2.97 0.08 4.64 0.53 -3.42 113.55 112.41 1b64 h SER 30 Ca 0.46 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.26 1b64 h SER 30 Cb 1.98 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 64.11 1b64 h SER 30 CO -0.00 0.06 0.86 -0.63 -0.87 0.00 0.00 176.83 176.24 1b64 s ILE 31 N -4.44 2.59 0.01 0.95 1.01 0.50 -5.00 121.20 116.81 1b64 s ILE 31 Ca -0.04 0.44 0.05 0.00 0.00 0.00 0.00 60.65 61.10 1b64 s ILE 31 Cb 0.14 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 1b64 s ILE 31 CO 0.56 0.04 -0.15 -1.58 0.00 0.00 0.00 174.94 173.82 1b64 s GLN 32 N 0.73 1.17 -0.19 2.79 0.74 -1.26 -4.93 119.66 118.71 1b64 s GLN 32 Ca 0.67 -0.63 -0.22 0.00 0.05 0.00 0.00 55.36 55.24 1b64 s GLN 32 Cb -0.44 -1.16 0.06 0.00 1.10 0.00 0.00 33.01 32.57 1b64 s GLN 32 CO 0.35 0.31 0.59 0.00 -0.55 0.00 0.00 175.29 175.99 1b64 s ALA 33 N -0.51 -1.48 0.14 1.58 0.00 -1.26 -5.01 121.76 115.22 1b64 s ALA 33 Ca 0.05 1.57 -0.26 0.00 0.00 0.00 0.00 51.96 53.32 1b64 s ALA 33 Cb -0.07 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 1b64 s ALA 33 CO 0.00 -0.29 1.61 0.22 0.00 0.00 0.00 175.76 177.30 1b64 h ASP 34 N 4.84 -1.00 -0.38 0.00 1.82 -2.04 0.19 116.42 119.85 1b64 h ASP 34 Ca -0.28 0.15 -0.18 0.00 -0.39 0.00 0.00 57.03 56.33 1b64 h ASP 34 Cb 1.17 0.43 -0.11 0.00 0.68 0.00 0.00 39.33 41.50 1b64 h ASP 34 CO 0.18 -0.35 0.23 0.61 -1.61 0.00 0.00 179.24 178.29 1b64 n GLY 35 N -1.41 2.88 3.15 -0.78 0.00 -1.26 -4.80 105.19 102.96 1b64 n GLY 35 Ca -0.03 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 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 1.92 -0.20 0.99 0.20 0.67 -3.68 118.68 117.26 1b64 s LEU 36 Ca 0.23 -0.40 -0.04 0.00 0.69 0.00 0.00 54.13 54.61 1b64 s LEU 36 Cb 0.19 -1.08 0.07 0.00 -0.43 0.00 0.00 46.19 44.94 1b64 s LEU 36 CO 0.05 0.15 0.08 -0.69 -0.29 0.00 0.00 176.35 175.64 1b64 s VAL 37 N 0.18 0.13 0.06 1.68 1.01 -1.19 -4.42 120.40 117.84 1b64 s VAL 37 Ca -0.08 -0.40 -0.31 0.00 0.00 0.00 0.00 61.98 61.19 1b64 s VAL 37 Cb -0.14 -0.80 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 1b64 s VAL 37 CO 0.04 -0.33 1.21 0.26 0.00 0.00 0.00 175.10 176.28 1b64 s TRP 38 N 2.03 3.41 -0.14 5.22 0.23 -1.26 0.14 118.94 128.56 1b64 s TRP 38 Ca 0.02 1.27 -0.13 0.00 -2.03 0.00 0.00 56.10 55.24 1b64 s TRP 38 Cb -0.16 -3.43 -0.04 0.00 0.03 0.00 0.00 33.47 29.86 1b64 s TRP 38 CO -0.13 -1.34 -0.25 0.41 0.96 0.00 0.00 176.95 176.60 1b64 n GLY 39 N 3.24 -0.68 0.00 0.98 0.00 -1.17 -4.89 105.19 102.67 1b64 n GLY 39 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1b64 n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1b64 n SER 40 N -4.27 0.00 -4.92 1.61 2.88 -1.21 -5.06 113.62 102.65 1b64 n SER 40 Ca -0.10 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.18 1b64 n SER 40 Cb 0.37 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.85 1b64 n SER 40 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1b64 s SER 41 N 0.00 5.77 0.16 -3.46 1.04 -1.26 -3.20 113.70 112.74 1b64 s SER 41 Ca 0.00 0.68 0.03 0.00 0.48 0.00 0.00 55.95 57.14 1b64 s SER 41 Cb 0.00 -1.79 -0.05 0.00 0.10 0.00 0.00 66.02 64.29 1b64 s SER 41 CO 0.00 -0.90 -0.04 -1.59 0.98 0.00 0.00 173.24 171.68 1b64 s LYS 42 N -4.87 1.08 0.10 4.02 -2.85 -1.04 -4.92 119.74 111.26 1b64 s LYS 42 Ca 0.52 -1.49 0.09 0.00 -1.00 0.00 0.00 55.97 54.09 1b64 s LYS 42 Cb -0.10 -0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 35.21 1b64 s LYS 42 CO 0.44 -0.04 -0.24 -0.51 0.10 0.00 0.00 175.35 175.10 1b64 s LEU 43 N -3.17 2.27 -0.27 2.77 2.01 -1.26 -3.43 118.68 117.59 1b64 s LEU 43 Ca 0.20 -0.68 -0.02 0.00 0.01 0.00 0.00 54.13 53.64 1b64 s LEU 43 Cb 0.05 -1.11 0.12 0.00 0.01 0.00 0.00 46.19 45.26 1b64 s LEU 43 CO 0.02 0.16 0.24 -0.69 1.01 0.00 0.00 176.35 177.08 1b64 s VAL 44 N -1.01 -0.30 0.39 -1.59 1.01 -1.22 -4.92 120.40 112.76 1b64 s VAL 44 Ca 0.11 -0.50 -0.24 0.00 0.00 0.00 0.00 61.98 61.35 1b64 s VAL 44 Cb -0.10 -0.93 -0.09 0.00 0.00 0.00 0.00 36.38 35.26 1b64 s VAL 44 CO 0.04 -0.49 1.06 -2.16 0.00 0.00 0.00 175.10 173.55 1b64 s PRO 45 N 2.28 4.19 0.00 2.72 0.04 -1.26 0.18 135.00 143.16 1b64 s PRO 45 Ca 0.09 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1b64 s PRO 45 Cb -0.15 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1b64 s PRO 45 CO -0.30 -0.12 0.00 0.28 0.04 0.00 0.00 177.00 176.89 1b64 n VAL 46 N 0.02 0.00 0.00 -0.36 0.31 -1.15 -4.90 118.33 112.26 1b64 n VAL 46 Ca 0.05 0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 1b64 n VAL 46 Cb 0.49 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 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 1.71 0.13 2.74 2.92 0.00 -1.26 -5.08 105.19 106.35 1b64 n GLY 47 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1b64 n GLY 47 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1b64 s TYR 48 N -0.01 -0.69 0.00 1.61 5.04 -1.26 -4.99 117.35 117.05 1b64 s TYR 48 Ca 0.00 -0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.47 1b64 s TYR 48 Cb 0.00 0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.44 1b64 s TYR 48 CO 0.00 -0.53 0.00 0.41 -1.34 0.00 0.00 175.55 174.09 1b64 n GLY 49 N 2.96 2.20 3.57 8.97 0.00 -1.26 -5.13 105.19 116.50 1b64 n GLY 49 Ca 0.12 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 3.19 0.22 -0.61 1.09 -1.26 -4.45 121.20 119.38 1b64 s ILE 50 Ca 0.00 -1.62 0.00 0.00 -1.10 0.00 0.00 60.65 57.93 1b64 s ILE 50 Cb 0.00 -2.57 -0.04 0.00 -1.06 0.00 0.00 42.46 38.79 1b64 s ILE 50 CO 0.00 -0.08 0.10 -0.54 -0.10 0.00 0.00 174.94 174.32 1b64 s LYS 51 N -2.74 1.26 -0.14 2.79 1.02 -1.26 -2.94 119.74 117.72 1b64 s LYS 51 Ca 0.24 -1.66 -0.24 0.00 0.02 0.00 0.00 55.97 54.33 1b64 s LYS 51 Cb -0.09 0.03 -0.02 0.00 -0.52 0.00 0.00 37.83 37.23 1b64 s LYS 51 CO 0.15 -0.33 0.78 0.21 -0.92 0.00 0.00 175.35 175.24 1b64 s LYS 52 N -4.09 4.33 -1.30 1.68 2.20 0.49 -4.52 119.74 118.52 1b64 s LYS 52 Ca 0.37 0.94 -0.10 0.00 -0.36 0.00 0.00 55.97 56.82 1b64 s LYS 52 Cb 0.07 -3.54 0.15 0.00 -1.51 0.00 0.00 37.83 33.01 1b64 s LYS 52 CO 0.11 -0.20 1.91 -0.11 -0.36 0.00 0.00 175.35 176.70 1b64 n LEU 53 N 4.77 6.61 -4.90 5.43 -0.00 0.30 -3.40 117.00 125.82 1b64 n LEU 53 Ca 0.02 -4.56 -0.32 0.00 -0.00 0.00 0.00 56.01 51.15 1b64 n LEU 53 Cb 0.50 -1.51 -0.05 0.00 -0.00 0.00 0.00 43.42 42.36 1b64 n LEU 53 CO 0.47 1.31 -0.00 -1.10 -0.00 0.00 0.00 177.39 178.07 1b64 s GLN 54 N 0.84 3.60 -0.06 1.96 -0.21 -1.22 -0.72 119.66 123.85 1b64 s GLN 54 Ca 0.41 -0.11 -0.21 0.00 0.02 0.00 0.00 55.36 55.47 1b64 s GLN 54 Cb 0.10 -2.92 0.04 0.00 1.00 0.00 0.00 33.01 31.23 1b64 s GLN 54 CO -0.01 0.52 0.47 0.96 -2.12 0.00 0.00 175.29 175.11 1b64 s ILE 55 N -1.57 0.03 0.07 1.08 -0.00 -0.75 -2.50 121.20 117.55 1b64 s ILE 55 Ca 0.38 -0.23 0.09 0.00 -0.00 0.00 0.00 60.65 60.89 1b64 s ILE 55 Cb -0.13 -0.76 -0.03 0.00 -0.00 0.00 0.00 42.46 41.54 1b64 s ILE 55 CO 0.23 -0.12 -0.23 -1.58 -0.00 0.00 0.00 174.94 173.24 1b64 s GLN 56 N -0.98 1.45 0.00 0.37 0.74 -1.20 -1.35 119.66 118.69 1b64 s GLN 56 Ca -0.10 -1.08 0.00 0.00 0.05 0.00 0.00 55.36 54.22 1b64 s GLN 56 Cb -0.03 -1.66 0.00 0.00 1.10 0.00 0.00 33.01 32.42 1b64 s GLN 56 CO 0.06 0.41 0.00 0.00 -0.55 0.00 0.00 175.29 175.21 1b64 n VAL 58 N 0.00 -0.32 -2.17 0.00 0.31 0.37 -3.87 118.33 112.66 1b64 n VAL 58 Ca 0.00 -2.79 -0.27 0.00 -0.01 0.00 0.00 64.34 61.27 1b64 n VAL 58 Cb 0.00 -0.12 0.12 0.00 -0.91 0.00 0.00 33.84 32.93 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 -0.34 2.13 0.75 2.52 -7.23 0.32 -3.16 120.40 115.39 1b64 s VAL 59 Ca 0.33 -0.23 -0.08 0.00 -1.81 0.00 0.00 61.98 60.20 1b64 s VAL 59 Cb 0.21 -2.90 0.09 0.00 0.56 0.00 0.00 36.38 34.34 1b64 s VAL 59 CO -0.17 0.00 1.07 -1.61 -0.31 0.00 0.00 175.10 174.09 1b64 s GLU 60 N -5.47 1.90 0.00 4.82 0.41 -1.24 0.23 118.70 119.35 1b64 s GLU 60 Ca 0.66 -0.33 0.14 0.00 -0.41 0.00 0.00 54.97 55.04 1b64 s GLU 60 Cb -0.07 -2.12 0.26 0.00 -1.78 0.00 0.00 34.13 30.42 1b64 s GLU 60 CO 0.48 -1.46 1.15 -3.47 -0.49 0.00 0.00 175.26 171.47 1b64 n ASP 61 N -3.07 2.73 -0.83 -0.19 2.03 -1.03 -4.42 116.55 111.77 1b64 n ASP 61 Ca 0.10 -1.81 -0.03 0.00 0.52 0.00 0.00 54.79 53.57 1b64 n ASP 61 Cb 0.60 -0.15 -0.03 0.00 -0.72 0.00 0.00 41.12 40.82 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 0.84 -0.32 0.00 1.67 2.03 -1.26 -5.00 116.55 114.50 1b64 n ASP 62 Ca 0.12 -1.63 0.00 0.00 0.52 0.00 0.00 54.79 53.80 1b64 n ASP 62 Cb 0.43 0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 1b64 n ASP 62 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1b64 n LYS 63 N 0.05 0.00 -4.50 -0.67 3.00 -1.26 -5.10 118.16 109.68 1b64 n LYS 63 Ca -0.11 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 57.96 1b64 n LYS 63 Cb 0.68 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.60 1b64 n LYS 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1b64 s VAL 64 N -0.26 1.88 0.29 3.15 0.11 -1.26 -5.02 120.40 119.29 1b64 s VAL 64 Ca 0.00 -2.13 0.06 0.00 -2.93 0.00 0.00 61.98 56.98 1b64 s VAL 64 Cb 0.00 -2.61 -0.02 0.00 -1.53 0.00 0.00 36.38 32.21 1b64 s VAL 64 CO 0.00 -0.21 0.26 0.61 -3.33 0.00 0.00 175.10 172.43 1b64 n GLY 65 N -0.72 2.99 2.33 6.54 0.00 -1.26 -4.15 105.19 110.93 1b64 n GLY 65 Ca -0.05 -1.85 -0.23 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.55 2.98 -0.00 2.61 -1.04 -1.26 -4.00 114.28 113.01 1b64 n THR 66 Ca 0.06 -1.70 -0.01 0.00 -2.04 0.00 0.00 64.05 60.37 1b64 n THR 66 Cb 0.53 -2.19 -0.00 0.00 -1.82 0.00 0.00 70.33 66.84 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 3.43 0.51 -0.31 8.00 5.75 -1.26 -4.35 116.55 128.30 1b64 n ASP 67 Ca 0.51 0.08 -0.04 0.00 -0.01 0.00 0.00 54.79 55.32 1b64 n ASP 67 Cb 0.38 -0.31 0.08 0.00 -1.03 0.00 0.00 41.12 40.23 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 -0.14 1.18 0.10 0.11 4.05 -1.99 -1.59 114.93 116.64 1b64 h MET 68 Ca 0.00 -0.13 0.01 0.00 -0.28 0.00 0.00 59.70 59.30 1b64 h MET 68 Cb 0.14 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 30.69 1b64 h MET 68 CO 0.00 0.86 -0.14 -0.07 0.23 0.00 0.00 176.91 177.79 1b64 h LEU 69 N 1.18 -0.38 0.12 3.39 3.38 -1.86 0.33 115.31 121.48 1b64 h LEU 69 Ca 0.30 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.33 1b64 h LEU 69 Cb 0.01 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1b64 h LEU 69 CO -0.05 -0.20 -0.36 -0.08 0.09 0.00 0.00 178.44 177.83 1b64 h GLU 70 N -0.28 -0.57 0.00 1.13 4.81 -1.69 1.80 114.58 119.78 1b64 h GLU 70 Ca 0.02 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1b64 h GLU 70 Cb 0.29 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1b64 h GLU 70 CO -0.07 -0.38 0.03 0.39 -0.73 0.00 0.00 179.01 178.26 1b64 n GLU 71 N -5.44 0.11 -0.11 1.92 -0.58 -0.63 0.15 120.64 116.07 1b64 n GLU 71 Ca -0.07 0.60 -0.24 0.00 -0.42 0.00 0.00 57.16 57.03 1b64 n GLU 71 Cb 0.35 -1.90 -0.11 0.00 -0.57 0.00 0.00 31.44 29.21 1b64 n GLU 71 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1b64 n GLN 72 N -2.10 0.62 0.06 3.49 7.27 0.10 -3.27 117.38 123.55 1b64 n GLN 72 Ca -0.01 0.33 -0.08 0.00 0.07 0.00 0.00 57.00 57.31 1b64 n GLN 72 Cb 0.06 -1.60 -0.05 0.00 2.41 0.00 0.00 30.24 31.06 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 -0.64 0.46 0.00 1.69 2.04 0.35 -3.17 117.51 118.25 1b64 h ILE 73 Ca -0.54 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.29 1b64 h ILE 73 Cb 1.65 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1b64 h ILE 73 CO -0.22 0.13 0.00 0.35 0.00 0.00 0.00 178.15 178.41 1b64 n THR 74 N -4.93 1.11 0.33 -0.27 -2.24 0.41 -2.35 114.28 106.33 1b64 n THR 74 Ca -0.06 0.28 0.19 0.00 -2.27 0.00 0.00 64.05 62.19 1b64 n THR 74 Cb 0.20 -1.09 1.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 2.42 1.23 -2.74 6.98 0.00 -1.51 -3.29 119.26 122.35 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 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.70 1b64 h ALA 75 CO 0.00 -0.19 0.03 -0.06 0.00 0.00 0.00 179.25 179.03 1b64 s PHE 76 N -4.17 3.68 -1.52 0.00 0.08 -0.99 -4.85 117.98 110.22 1b64 s PHE 76 Ca -0.04 -1.93 0.28 0.00 0.12 0.00 0.00 56.93 55.36 1b64 s PHE 76 Cb 0.11 -3.79 1.45 0.00 -0.57 0.00 0.00 43.02 40.22 1b64 s PHE 76 CO 0.36 -0.99 1.97 0.39 -0.10 0.00 0.00 175.22 176.85 1b64 n GLU 77 N 4.14 0.47 -0.56 0.44 -0.58 -1.24 -0.78 120.64 122.52 1b64 n GLU 77 Ca 0.10 0.02 0.08 0.00 -0.42 0.00 0.00 57.16 56.93 1b64 n GLU 77 Cb 0.46 -1.50 0.31 0.00 -0.57 0.00 0.00 31.44 30.14 1b64 n GLU 77 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1b64 n ASP 78 N -1.24 4.25 0.00 1.62 8.00 -1.26 -4.42 116.55 123.50 1b64 n ASP 78 Ca 0.14 -2.43 0.00 0.00 0.71 0.00 0.00 54.79 53.21 1b64 n ASP 78 Cb 0.20 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 1b64 n ASP 78 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1b64 n TYR 79 N 0.88 -0.49 -2.91 1.24 4.02 -1.05 -4.92 117.16 113.93 1b64 n TYR 79 Ca 0.22 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.70 1b64 n TYR 79 Cb 0.82 0.23 -0.04 0.00 -0.02 0.00 0.00 39.34 40.32 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 4.92 -0.03 -0.72 1.01 0.04 -1.33 120.40 122.84 1b64 s VAL 80 Ca 0.00 1.64 -0.09 0.00 0.00 0.00 0.00 61.98 63.53 1b64 s VAL 80 Cb 0.00 -4.14 -0.30 0.00 0.00 0.00 0.00 36.38 31.94 1b64 s VAL 80 CO 0.00 0.10 0.75 -0.61 0.00 0.00 0.00 175.10 175.35 1b64 h GLN 81 N 7.10 0.36 0.00 2.72 4.15 0.18 -3.42 115.11 126.20 1b64 h GLN 81 Ca -0.34 -0.62 0.00 0.00 0.77 0.00 0.00 58.65 58.46 1b64 h GLN 81 Cb 1.16 0.23 0.00 0.00 0.21 0.00 0.00 27.48 29.08 1b64 h GLN 81 CO 0.80 1.27 0.00 -1.13 -1.93 0.00 0.00 178.83 177.84 1b64 n SER 82 N -3.56 0.00 -4.81 -0.69 3.41 -1.22 -4.99 113.62 101.76 1b64 n SER 82 Ca -0.22 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.06 1b64 n SER 82 Cb 1.07 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 65.00 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 3.64 0.12 4.33 1.75 -1.26 -3.54 119.30 124.34 1b64 s MET 83 Ca 0.00 1.24 -0.01 0.00 -1.25 0.00 0.00 55.69 55.66 1b64 s MET 83 Cb 0.00 -2.08 0.01 0.00 2.84 0.00 0.00 34.83 35.60 1b64 s MET 83 CO 0.00 -0.55 0.18 -0.25 -0.65 0.00 0.00 175.02 173.76 1b64 n ASP 84 N -1.45 -0.52 -4.29 1.11 8.00 -0.92 -4.98 116.55 113.50 1b64 n ASP 84 Ca 0.09 -1.64 -0.32 0.00 0.71 0.00 0.00 54.79 53.63 1b64 n ASP 84 Cb 0.53 0.95 -0.16 0.00 -0.02 0.00 0.00 41.12 42.41 1b64 n ASP 84 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1b64 s VAL 85 N -2.58 2.18 -0.12 2.53 1.01 -1.26 -2.71 120.40 119.44 1b64 s VAL 85 Ca 0.09 -1.02 0.20 0.00 0.00 0.00 0.00 61.98 61.25 1b64 s VAL 85 Cb -0.01 -1.80 -0.23 0.00 0.00 0.00 0.00 36.38 34.34 1b64 s VAL 85 CO 0.07 0.57 0.50 0.00 0.00 0.00 0.00 175.10 176.24 1b64 n ALA 86 N 2.97 2.19 0.00 5.51 0.00 0.25 -4.83 120.51 126.60 1b64 n ALA 86 Ca -0.18 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1b64 n ALA 86 Cb 0.52 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.43 0.00 -3.27 0.00 0.00 -1.19 -4.96 120.51 108.66 1b64 n ALA 87 Ca -0.13 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 1b64 n ALA 87 Cb 0.81 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.21 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 0.30 0.00 2.19 -1.26 -3.45 117.98 112.65 1b64 s PHE 88 Ca 0.00 -0.06 -0.07 0.00 0.33 0.00 0.00 56.93 57.13 1b64 s PHE 88 Cb 0.00 -0.02 0.03 0.00 -1.31 0.00 0.00 43.02 41.72 1b64 s PHE 88 CO 0.00 -1.07 0.52 0.09 1.83 0.00 0.00 175.22 176.59 1b64 n ASN 89 N 4.57 -1.50 -4.84 6.13 4.13 -1.26 -5.09 115.26 117.40 1b64 n ASN 89 Ca 0.09 -2.40 -0.33 0.00 1.68 0.00 0.00 54.58 53.63 1b64 n ASN 89 Cb 0.51 2.60 -0.06 0.00 -1.54 0.00 0.00 39.78 41.29 1b64 n ASN 89 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1b64 s LYS 90 N -2.34 4.09 0.00 3.52 -2.85 -1.26 -3.17 119.74 117.73 1b64 s LYS 90 Ca 0.18 0.83 0.00 0.00 -1.00 0.00 0.00 55.97 55.98 1b64 s LYS 90 Cb -0.02 -2.34 0.00 0.00 -2.06 0.00 0.00 37.83 33.41 1b64 s LYS 90 CO 0.13 0.09 0.06 -0.89 0.10 0.00 0.00 175.35 174.84