#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 0.00 -4.31 -0.89 4.32 -1.26 -5.05 117.00 109.81 1b64 n LEU 2 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.59 1b64 n LEU 2 Cb 0.00 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 1b64 n LEU 2 CO 0.00 -0.35 -0.15 0.54 -1.22 0.00 0.00 177.39 176.21 1b64 s VAL 3 N 0.19 4.30 -1.34 4.08 0.11 -1.26 -4.63 120.40 121.84 1b64 s VAL 3 Ca 0.00 -1.14 -0.10 0.00 -2.93 0.00 0.00 61.98 57.81 1b64 s VAL 3 Cb 0.00 -3.51 0.01 0.00 -1.53 0.00 0.00 36.38 31.36 1b64 s VAL 3 CO 0.00 -0.34 0.19 0.00 -3.33 0.00 0.00 175.10 171.62 1b64 n ALA 4 N 4.94 -2.11 -2.36 1.54 0.00 -1.26 -4.91 120.51 116.35 1b64 n ALA 4 Ca -0.11 -0.44 -0.18 0.00 0.00 0.00 0.00 53.44 52.70 1b64 n ALA 4 Cb 0.44 -1.23 -0.10 0.00 0.00 0.00 0.00 19.45 18.57 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 -7.15 1.53 0.21 0.00 -0.14 -1.26 -2.70 119.74 110.23 1b64 s LYS 5 Ca 0.14 -1.85 -0.16 0.00 -1.36 0.00 0.00 55.97 52.74 1b64 s LYS 5 Cb -0.08 -0.36 0.02 0.00 -1.68 0.00 0.00 37.83 35.73 1b64 s LYS 5 CO 0.92 -0.32 0.52 0.45 -0.76 0.00 0.00 175.35 176.16 1b64 s SER 6 N -3.38 -0.21 -0.12 2.83 0.15 0.20 -3.86 113.70 109.32 1b64 s SER 6 Ca 0.36 -0.61 0.01 0.00 0.70 0.00 0.00 55.95 56.41 1b64 s SER 6 Cb 0.07 0.59 -0.01 0.00 -1.71 0.00 0.00 66.02 64.95 1b64 s SER 6 CO 0.15 -1.09 -0.15 -0.55 1.20 0.00 0.00 173.24 172.80 1b64 s SER 7 N -2.91 3.85 -0.06 5.45 0.15 -0.83 -1.13 113.70 118.23 1b64 s SER 7 Ca 0.12 -0.36 -0.02 0.00 0.70 0.00 0.00 55.95 56.40 1b64 s SER 7 Cb -0.01 -1.55 0.03 0.00 -1.71 0.00 0.00 66.02 62.78 1b64 s SER 7 CO 0.01 0.17 0.03 -0.63 1.20 0.00 0.00 173.24 174.02 1b64 s ILE 8 N 0.30 0.12 -0.19 6.45 1.01 -1.22 -3.25 121.20 124.43 1b64 s ILE 8 Ca -0.11 0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.73 1b64 s ILE 8 Cb -0.16 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 1b64 s ILE 8 CO 0.06 0.20 0.05 -0.22 0.00 0.00 0.00 174.94 175.03 1b64 s LEU 9 N 2.07 3.67 0.08 2.97 2.96 -1.24 -3.63 118.68 125.55 1b64 s LEU 9 Ca 0.05 0.00 0.09 0.00 -0.22 0.00 0.00 54.13 54.05 1b64 s LEU 9 Cb -0.12 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 1b64 s LEU 9 CO -0.04 0.14 -0.25 -0.76 -1.32 0.00 0.00 176.35 174.11 1b64 s LEU 10 N 0.58 2.23 -0.26 -0.68 1.43 -1.08 -0.06 118.68 120.83 1b64 s LEU 10 Ca 0.02 -0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1b64 s LEU 10 Cb -0.13 -1.17 0.08 0.00 0.03 0.00 0.00 46.19 44.99 1b64 s LEU 10 CO 0.01 0.20 0.04 -0.62 0.23 0.00 0.00 176.35 176.21 1b64 s ASP 11 N -1.54 3.68 0.15 2.29 -1.08 0.20 -1.75 116.67 118.62 1b64 s ASP 11 Ca 0.11 -1.30 -0.09 0.00 -0.52 0.00 0.00 52.55 50.75 1b64 s ASP 11 Cb -0.10 -0.90 -0.06 0.00 -1.46 0.00 0.00 42.92 40.40 1b64 s ASP 11 CO 0.03 -0.33 0.46 -0.69 0.52 0.00 0.00 175.17 175.16 1b64 s VAL 12 N 1.60 5.02 -0.16 1.11 1.01 0.19 -1.66 120.40 127.50 1b64 s VAL 12 Ca 0.03 0.43 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 1b64 s VAL 12 Cb -0.18 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1b64 s VAL 12 CO -0.14 0.12 -0.07 -0.75 0.00 0.00 0.00 175.10 174.25 1b64 s LYS 13 N -2.35 3.50 0.15 2.72 2.47 -1.18 -2.03 119.74 123.01 1b64 s LYS 13 Ca 0.40 -0.61 -0.30 0.00 -1.56 0.00 0.00 55.97 53.90 1b64 s LYS 13 Cb -0.13 -2.83 -0.07 0.00 -1.46 0.00 0.00 37.83 33.34 1b64 s LYS 13 CO 0.21 0.13 1.13 -1.25 0.16 0.00 0.00 175.35 175.73 1b64 s PRO 14 N 0.61 4.54 0.54 4.03 0.04 -1.26 0.13 135.00 143.64 1b64 s PRO 14 Ca -0.05 1.74 0.35 0.00 0.04 0.00 0.00 61.00 63.09 1b64 s PRO 14 Cb -0.15 -3.29 1.53 0.00 0.04 0.00 0.00 34.50 32.63 1b64 s PRO 14 CO 0.03 -0.02 1.82 -1.49 0.04 0.00 0.00 177.00 177.37 1b64 h TRP 15 N 5.51 0.03 0.00 0.56 -0.00 -1.29 -3.43 115.95 117.33 1b64 h TRP 15 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.45 1b64 h TRP 15 Cb 1.21 -0.01 0.00 0.00 -0.00 0.00 0.00 29.16 30.36 1b64 h TRP 15 CO 0.63 0.00 0.00 -0.25 -0.00 0.00 0.00 178.44 178.83 1b64 n ASP 16 N -4.21 0.00 -0.25 -3.49 9.92 -1.26 -4.97 116.55 112.29 1b64 n ASP 16 Ca 0.25 0.00 0.32 0.00 -0.53 0.00 0.00 54.79 54.83 1b64 n ASP 16 Cb 1.19 0.00 0.65 0.00 -0.64 0.00 0.00 41.12 42.32 1b64 n ASP 16 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 1b64 h ASP 17 N 0.00 0.00 -0.79 -2.24 3.04 -1.85 1.51 116.42 116.09 1b64 h ASP 17 Ca 0.00 0.00 0.05 0.00 -3.24 0.00 0.00 57.03 53.84 1b64 h ASP 17 Cb 0.00 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.24 1b64 h ASP 17 CO 0.00 0.00 0.52 1.05 -2.04 0.00 0.00 179.24 178.77 1b64 h GLU 18 N 0.00 0.87 -5.66 4.15 4.11 -1.93 -3.40 114.58 112.72 1b64 h GLU 18 Ca 0.51 -0.05 -0.51 0.00 0.07 0.00 0.00 59.36 59.38 1b64 h GLU 18 Cb 2.47 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 31.52 1b64 h GLU 18 CO -0.01 0.58 1.61 2.41 0.07 0.00 0.00 179.01 183.66 1b64 n THR 19 N -4.47 0.03 -1.48 -1.06 -1.04 0.52 -4.78 114.28 101.98 1b64 n THR 19 Ca 0.11 -0.63 -0.43 0.00 -2.04 0.00 0.00 64.05 61.06 1b64 n THR 19 Cb 0.18 -2.48 -0.09 0.00 -1.82 0.00 0.00 70.33 66.12 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 14.20 1.33 -0.03 8.00 8.00 -1.26 -4.75 116.55 142.04 1b64 n ASP 20 Ca 0.38 0.06 0.02 0.00 0.71 0.00 0.00 54.79 55.96 1b64 n ASP 20 Cb 0.46 -1.19 0.35 0.00 -0.02 0.00 0.00 41.12 40.72 1b64 n ASP 20 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1b64 h MET 21 N 14.14 0.60 -0.57 -1.24 2.86 -1.86 0.69 114.93 129.56 1b64 h MET 21 Ca -0.16 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.34 1b64 h MET 21 Cb 1.31 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 1b64 h MET 21 CO 1.22 0.48 0.05 0.00 1.06 0.00 0.00 176.91 179.72 1b64 h ALA 22 N 1.62 0.76 -0.06 6.32 0.00 -1.98 0.60 119.26 126.52 1b64 h ALA 22 Ca 0.15 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1b64 h ALA 22 Cb 0.08 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1b64 h ALA 22 CO -0.02 0.54 -0.35 -0.22 0.00 0.00 0.00 179.25 179.20 1b64 h LYS 23 N 0.85 0.34 -0.99 0.00 1.63 -1.72 0.35 116.57 117.02 1b64 h LYS 23 Ca 0.17 -0.29 0.01 0.00 -0.85 0.00 0.00 60.65 59.68 1b64 h LYS 23 Cb 0.47 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.11 1b64 h LYS 23 CO 0.02 0.94 0.64 1.25 -3.45 0.00 0.00 179.45 178.85 1b64 h LEU 24 N -0.17 1.15 -0.07 5.20 6.46 0.48 1.53 115.31 129.89 1b64 h LEU 24 Ca -0.03 -0.04 -0.09 0.00 -0.12 0.00 0.00 57.88 57.60 1b64 h LEU 24 Cb 1.02 -0.29 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 1b64 h LEU 24 CO 0.07 0.85 -0.32 -0.08 -0.62 0.00 0.00 178.44 178.34 1b64 h GLU 25 N 1.35 0.34 0.22 1.25 4.81 0.22 -3.02 114.58 119.76 1b64 h GLU 25 Ca 0.36 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1b64 h GLU 25 Cb -0.13 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1b64 h GLU 25 CO -0.08 0.91 -0.11 1.49 -0.73 0.00 0.00 179.01 180.50 1b64 h GLU 26 N -0.15 -0.29 -0.61 1.92 4.81 0.07 -2.98 114.58 117.35 1b64 h GLU 26 Ca -0.02 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1b64 h GLU 26 Cb 0.97 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.34 1b64 h GLU 26 CO 0.07 -0.01 -0.39 0.00 -0.73 0.00 0.00 179.01 177.94 1b64 n VAL 28 N -4.50 -0.42 -0.05 0.00 0.31 -1.14 0.11 118.33 112.64 1b64 n VAL 28 Ca 0.01 2.19 -0.13 0.00 -0.01 0.00 0.00 64.34 66.41 1b64 n VAL 28 Cb 0.18 -3.17 -0.07 0.00 -0.91 0.00 0.00 33.84 29.87 1b64 n VAL 28 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1b64 h ARG 29 N 0.00 0.30 -1.35 5.55 1.12 0.11 -2.78 114.38 117.34 1b64 h ARG 29 Ca 0.58 -0.13 0.39 0.00 -1.11 0.00 0.00 59.98 59.71 1b64 h ARG 29 Cb 1.14 -0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 31.04 1b64 h ARG 29 CO -0.95 0.63 1.09 0.66 -3.11 0.00 0.00 179.97 178.29 1b64 h SER 30 N -0.05 0.00 -2.17 -3.80 4.64 0.93 -3.39 113.55 109.72 1b64 h SER 30 Ca 0.03 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.77 1b64 h SER 30 Cb 0.54 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.66 1b64 h SER 30 CO 0.02 0.00 1.12 -0.38 -0.87 0.00 0.00 176.83 176.72 1b64 n ILE 31 N -3.84 0.58 -4.70 0.95 2.08 -0.50 -4.96 119.36 108.98 1b64 n ILE 31 Ca 0.30 -0.10 -0.33 0.00 0.56 0.00 0.00 62.75 63.17 1b64 n ILE 31 Cb 1.51 -1.99 -0.13 0.00 -0.75 0.00 0.00 39.64 38.28 1b64 n ILE 31 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 1b64 s GLN 32 N 3.86 3.16 -0.28 0.38 0.74 -1.26 -4.98 119.66 121.28 1b64 s GLN 32 Ca 0.90 -0.63 -0.09 0.00 0.05 0.00 0.00 55.36 55.58 1b64 s GLN 32 Cb -0.61 -2.63 0.12 0.00 1.10 0.00 0.00 33.01 30.99 1b64 s GLN 32 CO 0.47 0.38 0.60 0.00 -0.55 0.00 0.00 175.29 176.19 1b64 s ALA 33 N -0.05 -1.85 0.25 1.58 0.00 -1.26 -5.03 121.76 115.39 1b64 s ALA 33 Ca -0.01 2.17 -0.09 0.00 0.00 0.00 0.00 51.96 54.02 1b64 s ALA 33 Cb -0.14 -1.68 0.40 0.00 0.00 0.00 0.00 23.12 21.70 1b64 s ALA 33 CO 0.03 -0.89 1.60 0.22 0.00 0.00 0.00 175.76 176.73 1b64 h ASP 34 N 8.03 -0.62 -0.40 0.00 3.58 -2.04 1.42 116.42 126.40 1b64 h ASP 34 Ca -0.18 0.23 -0.23 0.00 0.42 0.00 0.00 57.03 57.28 1b64 h ASP 34 Cb 1.10 0.46 -0.12 0.00 1.72 0.00 0.00 39.33 42.49 1b64 h ASP 34 CO 0.10 -0.25 0.29 0.61 -2.88 0.00 0.00 179.24 177.12 1b64 n GLY 35 N -1.49 3.29 2.88 -0.78 0.00 -1.26 -4.77 105.19 103.05 1b64 n GLY 35 Ca 0.13 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.38 1.13 -0.33 0.99 2.96 0.49 -3.79 118.68 118.74 1b64 s LEU 36 Ca 0.24 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 1b64 s LEU 36 Cb 0.19 -0.58 0.08 0.00 0.50 0.00 0.00 46.19 46.39 1b64 s LEU 36 CO 0.03 -0.10 0.04 -0.69 -1.32 0.00 0.00 176.35 174.32 1b64 s VAL 37 N 1.35 2.66 -0.52 1.68 1.01 -1.00 -4.59 120.40 121.00 1b64 s VAL 37 Ca -0.04 -1.92 -0.29 0.00 0.00 0.00 0.00 61.98 59.74 1b64 s VAL 37 Cb -0.14 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.52 1b64 s VAL 37 CO -0.03 -0.40 1.21 0.26 0.00 0.00 0.00 175.10 176.15 1b64 s TRP 38 N 1.08 2.64 0.00 5.22 0.23 -1.26 -0.01 118.94 126.84 1b64 s TRP 38 Ca 0.03 0.57 0.00 0.00 -2.03 0.00 0.00 56.10 54.67 1b64 s TRP 38 Cb -0.20 -4.46 0.00 0.00 0.03 0.00 0.00 33.47 28.84 1b64 s TRP 38 CO -0.05 -1.53 0.00 0.41 0.96 0.00 0.00 176.95 176.74 1b64 n GLY 39 N 4.99 1.78 2.89 0.98 0.00 -0.94 -4.99 105.19 109.90 1b64 n GLY 39 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.00 0.74 0.33 1.61 0.15 -1.21 -5.01 113.70 109.32 1b64 s SER 40 Ca 0.00 -0.10 -0.06 0.00 0.70 0.00 0.00 55.95 56.49 1b64 s SER 40 Cb 0.00 -0.33 -0.05 0.00 -1.71 0.00 0.00 66.02 63.93 1b64 s SER 40 CO 0.00 -0.04 0.62 -0.94 1.20 0.00 0.00 173.24 174.07 1b64 s SER 41 N 0.76 6.45 0.19 5.45 1.04 -1.26 -3.30 113.70 123.02 1b64 s SER 41 Ca -0.09 0.82 0.10 0.00 0.48 0.00 0.00 55.95 57.26 1b64 s SER 41 Cb -0.12 -2.19 -0.04 0.00 0.10 0.00 0.00 66.02 63.76 1b64 s SER 41 CO -0.00 -0.26 -0.22 -0.54 0.98 0.00 0.00 173.24 173.19 1b64 s LYS 42 N -3.69 1.44 0.18 4.02 1.02 -0.73 -4.95 119.74 117.03 1b64 s LYS 42 Ca 0.46 -1.49 0.11 0.00 0.02 0.00 0.00 55.97 55.06 1b64 s LYS 42 Cb -0.11 -1.67 -0.04 0.00 -0.52 0.00 0.00 37.83 35.49 1b64 s LYS 42 CO 0.31 0.35 -0.23 -0.51 -0.92 0.00 0.00 175.35 174.35 1b64 s LEU 43 N -2.70 2.42 -0.20 3.17 2.01 -1.26 -3.29 118.68 118.82 1b64 s LEU 43 Ca 0.19 -0.85 -0.07 0.00 0.01 0.00 0.00 54.13 53.41 1b64 s LEU 43 Cb -0.07 -1.12 0.09 0.00 0.01 0.00 0.00 46.19 45.10 1b64 s LEU 43 CO 0.09 0.10 0.44 -0.69 1.01 0.00 0.00 176.35 177.30 1b64 s VAL 44 N -1.64 -0.62 0.27 -1.59 1.01 -1.26 -4.97 120.40 111.61 1b64 s VAL 44 Ca 0.19 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 1b64 s VAL 44 Cb -0.08 -0.69 -0.09 0.00 0.00 0.00 0.00 36.38 35.52 1b64 s VAL 44 CO 0.09 0.06 1.08 -2.16 0.00 0.00 0.00 175.10 174.17 1b64 s PRO 45 N 2.53 4.66 -0.40 2.72 0.04 -1.26 0.19 135.00 143.48 1b64 s PRO 45 Ca -0.03 1.76 0.10 0.00 0.04 0.00 0.00 61.00 62.88 1b64 s PRO 45 Cb -0.12 -3.21 0.35 0.00 0.04 0.00 0.00 34.50 31.57 1b64 s PRO 45 CO -0.13 0.23 0.93 0.28 0.04 0.00 0.00 177.00 178.35 1b64 n VAL 46 N 1.34 -0.01 0.00 -0.36 0.31 -1.22 -4.86 118.33 113.52 1b64 n VAL 46 Ca -0.01 -3.14 0.00 0.00 -0.01 0.00 0.00 64.34 61.18 1b64 n VAL 46 Cb 0.45 0.54 0.00 0.00 -0.91 0.00 0.00 33.84 33.92 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 0.23 2.50 2.88 2.92 0.00 -1.26 -4.71 105.19 107.76 1b64 n GLY 47 Ca 0.15 -0.96 -0.46 0.00 0.00 0.00 0.00 46.02 44.75 1b64 n GLY 47 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1b64 n TYR 48 N 0.39 0.81 0.00 1.61 9.36 -1.26 0.16 117.16 128.22 1b64 n TYR 48 Ca 0.00 0.54 0.00 0.00 3.32 0.00 0.00 57.90 61.76 1b64 n TYR 48 Cb 0.00 -2.00 0.00 0.00 -0.63 0.00 0.00 39.34 36.71 1b64 n TYR 48 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1b64 n GLY 49 N 6.14 3.11 3.95 2.98 0.00 -1.26 -5.08 105.19 115.03 1b64 n GLY 49 Ca 0.51 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.07 4.78 0.17 -0.61 1.01 0.42 -4.60 121.20 122.31 1b64 s ILE 50 Ca 0.00 -0.50 -0.18 0.00 0.00 0.00 0.00 60.65 59.97 1b64 s ILE 50 Cb 0.00 -3.74 0.03 0.00 0.01 0.00 0.00 42.46 38.76 1b64 s ILE 50 CO 0.00 -0.48 0.49 -0.54 0.00 0.00 0.00 174.94 174.41 1b64 s LYS 51 N -4.37 1.28 0.28 2.79 3.01 -1.26 -3.42 119.74 118.05 1b64 s LYS 51 Ca 0.42 -0.78 -0.16 0.00 -1.01 0.00 0.00 55.97 54.44 1b64 s LYS 51 Cb -0.10 0.51 -0.09 0.00 -1.01 0.00 0.00 37.83 37.15 1b64 s LYS 51 CO 0.36 -0.53 0.72 0.21 0.51 0.00 0.00 175.35 176.62 1b64 s LYS 52 N -3.84 4.07 -0.80 1.68 2.20 0.50 -4.61 119.74 118.93 1b64 s LYS 52 Ca 0.07 0.70 0.02 0.00 -0.36 0.00 0.00 55.97 56.40 1b64 s LYS 52 Cb -0.00 -2.59 0.23 0.00 -1.51 0.00 0.00 37.83 33.96 1b64 s LYS 52 CO -0.07 0.25 0.82 1.28 -0.36 0.00 0.00 175.35 177.27 1b64 n LEU 53 N 0.01 4.15 -4.75 5.43 7.99 -0.86 -4.01 117.00 124.96 1b64 n LEU 53 Ca 0.01 -5.27 -0.35 0.00 -0.01 0.00 0.00 56.01 50.40 1b64 n LEU 53 Cb 0.52 -0.91 -0.08 0.00 -0.11 0.00 0.00 43.42 42.84 1b64 n LEU 53 CO 0.42 1.78 -0.27 -1.58 -1.51 0.00 0.00 177.39 176.24 1b64 s GLN 54 N -1.97 3.09 0.07 3.23 0.74 -1.21 0.54 119.66 124.16 1b64 s GLN 54 Ca 0.32 -0.37 -0.06 0.00 0.05 0.00 0.00 55.36 55.30 1b64 s GLN 54 Cb 0.02 -2.89 -0.01 0.00 1.10 0.00 0.00 33.01 31.23 1b64 s GLN 54 CO -0.06 0.71 0.12 0.96 -0.55 0.00 0.00 175.29 176.46 1b64 s ILE 55 N -0.98 0.16 0.00 -2.34 -0.00 -0.72 -1.78 121.20 115.55 1b64 s ILE 55 Ca 0.16 -1.34 0.02 0.00 -0.00 0.00 0.00 60.65 59.48 1b64 s ILE 55 Cb -0.12 -1.34 -0.01 0.00 -0.00 0.00 0.00 42.46 40.99 1b64 s ILE 55 CO 0.05 -0.74 -0.07 -1.58 -0.00 0.00 0.00 174.94 172.60 1b64 s GLN 56 N -3.74 0.52 0.36 0.37 2.00 -1.21 -2.65 119.66 115.32 1b64 s GLN 56 Ca 0.04 -0.31 -0.01 0.00 -2.00 0.00 0.00 55.36 53.09 1b64 s GLN 56 Cb 0.05 -0.47 0.01 0.00 0.80 0.00 0.00 33.01 33.39 1b64 s GLN 56 CO -0.10 0.13 0.49 0.00 -0.50 0.00 0.00 175.29 175.31 1b64 s VAL 58 N -2.87 0.95 0.79 0.00 1.01 0.98 -3.43 120.40 117.83 1b64 s VAL 58 Ca 0.31 -1.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 1b64 s VAL 58 Cb -0.01 -1.56 0.12 0.00 0.00 0.00 0.00 36.38 34.93 1b64 s VAL 58 CO 0.22 -0.45 1.12 0.68 0.00 0.00 0.00 175.10 176.68 1b64 s VAL 59 N 1.61 2.14 -1.21 2.92 -7.23 -0.28 -2.36 120.40 115.98 1b64 s VAL 59 Ca 0.04 -0.22 -0.10 0.00 -1.81 0.00 0.00 61.98 59.89 1b64 s VAL 59 Cb -0.18 -2.91 0.20 0.00 0.56 0.00 0.00 36.38 34.05 1b64 s VAL 59 CO -0.16 0.00 1.60 -0.62 -0.31 0.00 0.00 175.10 175.60 1b64 n GLU 60 N -3.20 3.66 0.00 4.82 -0.58 -1.25 0.61 120.64 124.70 1b64 n GLU 60 Ca 0.11 -3.88 0.00 0.00 -0.42 0.00 0.00 57.16 52.98 1b64 n GLU 60 Cb 0.60 -2.86 0.00 0.00 -0.57 0.00 0.00 31.44 28.61 1b64 n GLU 60 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1b64 n ASP 61 N 3.95 0.00 -0.90 1.62 2.03 -1.10 0.14 116.55 122.30 1b64 n ASP 61 Ca 0.35 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.69 1b64 n ASP 61 Cb 0.38 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.83 1b64 n ASP 61 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1b64 n ASP 62 N 2.19 0.83 -0.07 1.67 -0.08 -1.26 -4.70 116.55 115.13 1b64 n ASP 62 Ca 0.00 -2.31 -0.12 0.00 -1.51 0.00 0.00 54.79 50.86 1b64 n ASP 62 Cb 0.00 -0.30 -0.08 0.00 2.34 0.00 0.00 41.12 43.08 1b64 n ASP 62 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1b64 h LYS 63 N 0.54 0.00 -4.18 -0.67 3.64 0.85 -3.42 116.57 113.33 1b64 h LYS 63 Ca -0.10 0.00 -0.73 0.00 -1.27 0.00 0.00 60.65 58.55 1b64 h LYS 63 Cb 1.53 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 33.06 1b64 h LYS 63 CO 0.04 0.63 -0.33 0.08 -2.27 0.00 0.00 179.45 177.60 1b64 s VAL 64 N -2.11 4.39 0.66 2.00 1.01 -1.26 -4.96 120.40 120.12 1b64 s VAL 64 Ca -0.17 -1.91 -0.09 0.00 0.00 0.00 0.00 61.98 59.81 1b64 s VAL 64 Cb 0.01 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1b64 s VAL 64 CO 0.44 -0.82 1.02 -0.83 0.00 0.00 0.00 175.10 174.91 1b64 s GLY 65 N 2.56 1.62 0.48 4.51 0.00 -1.26 -4.53 107.32 110.71 1b64 s GLY 65 Ca 0.07 -0.53 0.28 0.00 0.00 0.00 0.00 44.72 44.54 1b64 s GLY 65 CO -0.01 -0.19 1.78 -0.84 0.00 0.00 0.00 173.10 173.84 1b64 h THR 66 N -0.47 0.05 -0.64 0.90 2.02 -1.99 -3.25 112.91 109.53 1b64 h THR 66 Ca -0.45 -0.83 0.12 0.00 0.77 0.00 0.00 66.41 66.02 1b64 h THR 66 Cb 1.26 1.79 -0.12 0.00 -1.74 0.00 0.00 68.15 69.33 1b64 h THR 66 CO 0.62 0.03 -0.24 -2.24 0.37 0.00 0.00 175.52 174.06 1b64 h ASP 67 N 0.00 -0.85 -0.54 4.18 2.03 -1.97 1.64 116.42 120.91 1b64 h ASP 67 Ca -0.00 0.21 -0.06 0.00 -0.73 0.00 0.00 57.03 56.46 1b64 h ASP 67 Cb 0.78 0.49 -0.02 0.00 -0.83 0.00 0.00 39.33 39.75 1b64 h ASP 67 CO 0.00 -0.26 0.11 -0.03 -1.03 0.00 0.00 179.24 178.03 1b64 h MET 68 N -0.07 0.88 -0.86 4.15 4.05 -1.97 0.30 114.93 121.40 1b64 h MET 68 Ca 0.29 -0.22 -0.02 0.00 -0.28 0.00 0.00 59.70 59.46 1b64 h MET 68 Cb 0.52 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.18 1b64 h MET 68 CO -0.69 0.84 0.44 -0.07 0.23 0.00 0.00 176.91 177.66 1b64 h LEU 69 N 0.77 1.10 -0.63 3.39 3.38 -0.79 -1.29 115.31 121.24 1b64 h LEU 69 Ca 0.17 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1b64 h LEU 69 Cb 0.38 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1b64 h LEU 69 CO 0.01 0.91 -0.40 -0.08 0.09 0.00 0.00 178.44 178.97 1b64 h GLU 70 N 1.22 0.00 0.00 1.13 4.81 0.26 1.75 114.58 123.75 1b64 h GLU 70 Ca 0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1b64 h GLU 70 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1b64 h GLU 70 CO -0.04 0.40 0.00 0.93 -0.73 0.00 0.00 179.01 179.56 1b64 h GLU 71 N 0.00 0.00 0.00 1.92 4.39 0.70 -3.04 114.58 118.56 1b64 h GLU 71 Ca -0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 1b64 h GLU 71 Cb 1.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1b64 h GLU 71 CO 0.05 0.00 -1.28 0.00 -1.16 0.00 0.00 179.01 176.62 1b64 n GLN 72 N -2.51 0.11 0.00 2.33 10.64 -0.75 -4.34 117.38 122.87 1b64 n GLN 72 Ca 0.03 0.04 0.00 0.00 -1.83 0.00 0.00 57.00 55.24 1b64 n GLN 72 Cb 0.33 -0.79 0.00 0.00 -0.86 0.00 0.00 30.24 28.93 1b64 n GLN 72 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 1b64 n ILE 73 N -3.08 0.00 0.28 -0.39 5.41 0.59 -2.53 119.36 119.65 1b64 n ILE 73 Ca -0.10 0.84 0.14 0.00 1.00 0.00 0.00 62.75 64.63 1b64 n ILE 73 Cb 0.58 -1.76 0.73 0.00 -0.71 0.00 0.00 39.64 38.48 1b64 n ILE 73 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1b64 h THR 74 N 0.00 0.00 -1.80 1.39 1.35 -1.69 -1.92 112.91 110.24 1b64 h THR 74 Ca 0.00 0.00 0.52 0.00 -0.55 0.00 0.00 66.41 66.38 1b64 h THR 74 Cb 0.00 0.59 -0.07 0.00 -1.73 0.00 0.00 68.15 66.94 1b64 h THR 74 CO 0.00 0.00 1.38 0.00 -0.25 0.00 0.00 175.52 176.65 1b64 h ALA 75 N 1.41 3.71 -1.45 6.62 0.00 -1.38 -2.80 119.26 125.37 1b64 h ALA 75 Ca 0.00 -0.06 -0.73 0.00 0.00 0.00 0.00 54.91 54.12 1b64 h ALA 75 Cb 0.55 0.13 -0.15 0.00 0.00 0.00 0.00 17.79 18.32 1b64 h ALA 75 CO 0.00 -2.31 1.60 1.19 0.00 0.00 0.00 179.25 179.73 1b64 n PHE 76 N -3.81 4.80 0.78 0.00 3.01 -0.72 -4.75 117.46 116.77 1b64 n PHE 76 Ca 0.40 -3.22 0.08 0.00 1.01 0.00 0.00 57.45 55.73 1b64 n PHE 76 Cb 1.92 -2.28 0.41 0.00 -0.01 0.00 0.00 39.48 39.52 1b64 n PHE 76 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1b64 n GLU 77 N 6.18 0.26 -0.30 -1.08 2.13 -1.06 -0.21 120.64 126.56 1b64 n GLU 77 Ca 0.40 0.12 0.05 0.00 0.66 0.00 0.00 57.16 58.39 1b64 n GLU 77 Cb 0.43 -1.50 0.18 0.00 0.27 0.00 0.00 31.44 30.82 1b64 n GLU 77 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1b64 n ASP 78 N -1.25 2.58 0.00 4.31 5.68 -1.26 -4.32 116.55 122.30 1b64 n ASP 78 Ca 0.08 -2.19 0.00 0.00 -0.50 0.00 0.00 54.79 52.18 1b64 n ASP 78 Cb 0.12 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.71 1b64 n ASP 78 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1b64 n TYR 79 N 0.50 -0.39 -2.91 2.11 4.02 -0.72 -4.98 117.16 114.79 1b64 n TYR 79 Ca 0.13 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.62 1b64 n TYR 79 Cb 0.48 0.10 -0.04 0.00 -0.02 0.00 0.00 39.34 39.87 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 -1.20 4.97 -0.04 -0.72 1.01 0.70 -0.87 120.40 124.25 1b64 s VAL 80 Ca 0.00 1.68 -0.04 0.00 0.00 0.00 0.00 61.98 63.62 1b64 s VAL 80 Cb 0.00 -4.15 -0.27 0.00 0.00 0.00 0.00 36.38 31.96 1b64 s VAL 80 CO 0.00 0.20 0.67 -0.61 0.00 0.00 0.00 175.10 175.36 1b64 h GLN 81 N 6.82 0.26 0.00 2.72 4.15 0.84 -3.41 115.11 126.49 1b64 h GLN 81 Ca -0.40 -0.44 0.00 0.00 0.77 0.00 0.00 58.65 58.58 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 0.76 1.11 0.00 0.43 -1.93 0.00 0.00 178.83 179.20 1b64 n SER 82 N -3.44 0.00 -4.83 -0.69 7.64 -1.23 -4.99 113.62 106.08 1b64 n SER 82 Ca -0.22 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.34 1b64 n SER 82 Cb 1.05 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 64.20 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 4.08 0.02 1.43 1.75 -1.26 -3.10 119.30 122.22 1b64 s MET 83 Ca 0.00 0.97 -0.01 0.00 -1.25 0.00 0.00 55.69 55.40 1b64 s MET 83 Cb 0.00 -2.21 -0.02 0.00 2.84 0.00 0.00 34.83 35.44 1b64 s MET 83 CO 0.00 -0.10 -0.00 0.16 -0.65 0.00 0.00 175.02 174.43 1b64 s ASP 84 N -2.57 0.24 -0.19 1.11 -4.77 -0.67 -4.98 116.67 104.85 1b64 s ASP 84 Ca 0.59 -0.53 -0.20 0.00 -3.30 0.00 0.00 52.55 49.11 1b64 s ASP 84 Cb -0.10 0.13 -0.03 0.00 -1.09 0.00 0.00 42.92 41.84 1b64 s ASP 84 CO 0.21 -0.36 0.61 0.54 0.70 0.00 0.00 175.17 176.87 1b64 s VAL 85 N -1.84 5.05 -0.22 2.11 0.11 -1.26 -0.62 120.40 123.72 1b64 s VAL 85 Ca -0.12 1.15 0.19 0.00 -2.93 0.00 0.00 61.98 60.26 1b64 s VAL 85 Cb -0.07 -3.92 0.04 0.00 -1.53 0.00 0.00 36.38 30.89 1b64 s VAL 85 CO -0.02 0.14 1.18 0.00 -3.33 0.00 0.00 175.10 173.07 1b64 h ALA 86 N 7.40 0.68 -1.58 1.54 0.00 -0.81 -3.47 119.26 123.01 1b64 h ALA 86 Ca -0.33 -0.36 0.25 0.00 0.00 0.00 0.00 54.91 54.47 1b64 h ALA 86 Cb 1.15 0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.83 1b64 h ALA 86 CO 0.77 0.43 0.77 0.00 0.00 0.00 0.00 179.25 181.21 1b64 s ALA 87 N -3.11 -2.06 -0.40 0.00 0.00 -1.17 -4.95 121.76 110.08 1b64 s ALA 87 Ca 0.01 1.33 0.04 0.00 0.00 0.00 0.00 51.96 53.35 1b64 s ALA 87 Cb 0.08 0.05 0.16 0.00 0.00 0.00 0.00 23.12 23.41 1b64 s ALA 87 CO 0.76 -0.70 0.45 -0.06 0.00 0.00 0.00 175.76 176.21 1b64 s PHE 88 N -2.52 -0.43 0.34 0.00 0.08 -1.26 -3.73 117.98 110.46 1b64 s PHE 88 Ca 0.10 -0.89 -0.08 0.00 0.12 0.00 0.00 56.93 56.17 1b64 s PHE 88 Cb 0.00 -0.30 0.03 0.00 -0.57 0.00 0.00 43.02 42.18 1b64 s PHE 88 CO -0.05 -1.01 0.60 0.09 -0.10 0.00 0.00 175.22 174.74 1b64 n ASN 89 N 3.89 -1.71 -4.79 1.36 4.13 -1.20 -5.11 115.26 111.82 1b64 n ASN 89 Ca 0.15 -2.56 -0.29 0.00 1.68 0.00 0.00 54.58 53.56 1b64 n ASN 89 Cb 0.48 2.95 0.11 0.00 -1.54 0.00 0.00 39.78 41.79 1b64 n ASN 89 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1b64 s LYS 90 N -2.36 1.62 0.00 3.52 1.02 -1.26 -1.96 119.74 120.31 1b64 s LYS 90 Ca 0.20 0.48 0.18 0.00 0.02 0.00 0.00 55.97 56.85 1b64 s LYS 90 Cb -0.03 -1.88 0.14 0.00 -0.52 0.00 0.00 37.83 35.55 1b64 s LYS 90 CO 0.14 -1.91 1.07 1.51 -0.92 0.00 0.00 175.35 175.24