#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 4.96 -3.99 4.03 0.00 -1.26 -4.99 117.00 115.75 1b64 n LEU 2 Ca 0.00 -5.20 -0.11 0.00 0.00 0.00 0.00 56.01 50.71 1b64 n LEU 2 Cb 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 43.42 42.25 1b64 n LEU 2 CO 0.00 1.65 0.25 0.54 0.00 0.00 0.00 177.39 179.83 1b64 s VAL 3 N -1.95 0.00 -0.19 1.96 0.11 -1.26 -5.05 120.40 114.02 1b64 s VAL 3 Ca 0.31 -1.37 -0.05 0.00 -2.93 0.00 0.00 61.98 57.94 1b64 s VAL 3 Cb -0.01 -2.49 0.01 0.00 -1.53 0.00 0.00 36.38 32.36 1b64 s VAL 3 CO -0.04 0.00 0.20 0.00 -3.33 0.00 0.00 175.10 171.93 1b64 n ALA 4 N -0.48 -3.09 -2.22 1.54 0.00 -1.26 -4.62 120.51 110.38 1b64 n ALA 4 Ca -0.02 0.47 -0.21 0.00 0.00 0.00 0.00 53.44 53.68 1b64 n ALA 4 Cb 0.61 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.47 2.51 0.26 0.00 -0.14 -1.26 -0.56 119.74 119.09 1b64 s LYS 5 Ca 0.08 -1.58 -0.13 0.00 -1.36 0.00 0.00 55.97 52.98 1b64 s LYS 5 Cb -0.02 -2.38 0.00 0.00 -1.68 0.00 0.00 37.83 33.75 1b64 s LYS 5 CO 0.38 -0.27 0.52 0.45 -0.76 0.00 0.00 175.35 175.68 1b64 s SER 6 N -4.18 -0.05 0.08 2.83 0.15 0.37 -4.01 113.70 108.89 1b64 s SER 6 Ca 0.48 -0.93 0.05 0.00 0.70 0.00 0.00 55.95 56.25 1b64 s SER 6 Cb -0.03 0.62 -0.03 0.00 -1.71 0.00 0.00 66.02 64.87 1b64 s SER 6 CO 0.28 -1.20 -0.14 -0.55 1.20 0.00 0.00 173.24 172.83 1b64 s SER 7 N -3.02 1.74 -0.05 5.45 0.15 -1.12 0.13 113.70 116.97 1b64 s SER 7 Ca 0.21 -0.66 -0.02 0.00 0.70 0.00 0.00 55.95 56.18 1b64 s SER 7 Cb -0.02 -0.05 0.03 0.00 -1.71 0.00 0.00 66.02 64.27 1b64 s SER 7 CO 0.10 -0.10 0.03 -0.63 1.20 0.00 0.00 173.24 173.84 1b64 s ILE 8 N -1.49 0.11 -0.32 6.45 1.09 -1.13 -3.59 121.20 122.32 1b64 s ILE 8 Ca 0.00 0.29 -0.20 0.00 -1.10 0.00 0.00 60.65 59.64 1b64 s ILE 8 Cb -0.09 -0.32 -0.01 0.00 -1.06 0.00 0.00 42.46 40.99 1b64 s ILE 8 CO 0.02 0.21 0.63 -0.22 -0.10 0.00 0.00 174.94 175.49 1b64 s LEU 9 N 2.04 4.18 0.40 2.97 2.96 -1.25 -3.27 118.68 126.71 1b64 s LEU 9 Ca 0.04 0.33 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 1b64 s LEU 9 Cb -0.12 -2.80 -0.01 0.00 0.50 0.00 0.00 46.19 43.75 1b64 s LEU 9 CO -0.04 -0.52 0.60 -0.22 -1.32 0.00 0.00 176.35 174.85 1b64 s LEU 10 N 2.64 3.81 -0.39 -0.68 2.96 -0.09 -0.81 118.68 126.13 1b64 s LEU 10 Ca 0.25 0.23 0.04 0.00 -0.22 0.00 0.00 54.13 54.43 1b64 s LEU 10 Cb -0.15 -3.11 0.16 0.00 0.50 0.00 0.00 46.19 43.59 1b64 s LEU 10 CO 0.13 -0.54 0.43 -0.62 -1.32 0.00 0.00 176.35 174.43 1b64 s ASP 11 N -4.16 0.63 0.26 3.68 -1.08 -1.21 -2.19 116.67 112.60 1b64 s ASP 11 Ca 0.45 -1.53 -0.03 0.00 -0.52 0.00 0.00 52.55 50.92 1b64 s ASP 11 Cb -0.10 0.80 -0.05 0.00 -1.46 0.00 0.00 42.92 42.12 1b64 s ASP 11 CO 0.36 -0.23 0.50 -0.69 0.52 0.00 0.00 175.17 175.62 1b64 s VAL 12 N 1.40 5.10 -0.08 1.11 1.01 0.11 -3.50 120.40 125.55 1b64 s VAL 12 Ca 0.18 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1b64 s VAL 12 Cb -0.12 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1b64 s VAL 12 CO -0.04 -0.29 -0.16 -0.75 0.00 0.00 0.00 175.10 173.86 1b64 s LYS 13 N -3.54 2.78 0.53 2.72 2.20 -1.20 -1.05 119.74 122.18 1b64 s LYS 13 Ca 0.42 -0.73 -0.18 0.00 -0.36 0.00 0.00 55.97 55.11 1b64 s LYS 13 Cb -0.11 -2.42 -0.07 0.00 -1.51 0.00 0.00 37.83 33.73 1b64 s LYS 13 CO 0.30 0.46 1.04 -1.25 -0.36 0.00 0.00 175.35 175.54 1b64 s PRO 14 N -0.30 3.63 0.56 4.03 0.04 -1.26 0.25 135.00 141.96 1b64 s PRO 14 Ca 0.02 1.28 0.29 0.00 0.04 0.00 0.00 61.00 62.63 1b64 s PRO 14 Cb -0.13 -2.07 1.68 0.00 0.04 0.00 0.00 34.50 34.02 1b64 s PRO 14 CO 0.03 -0.56 2.18 -1.49 0.04 0.00 0.00 177.00 177.19 1b64 h TRP 15 N 1.11 0.00 0.00 0.56 -0.00 -1.22 -3.40 115.95 113.00 1b64 h TRP 15 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.41 1b64 h TRP 15 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.38 1b64 h TRP 15 CO 0.58 0.05 0.00 -3.47 -0.00 0.00 0.00 178.44 175.60 1b64 n ASP 16 N -3.71 0.00 0.18 -3.49 2.03 -1.26 -4.93 116.55 105.36 1b64 n ASP 16 Ca -0.02 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.41 1b64 n ASP 16 Cb 0.15 0.00 0.63 0.00 -0.72 0.00 0.00 41.12 41.19 1b64 n ASP 16 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1b64 h ASP 17 N 0.00 0.00 0.38 1.67 2.03 -1.91 0.14 116.42 118.74 1b64 h ASP 17 Ca 0.00 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.11 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 -0.80 1.05 -1.03 0.00 0.00 179.24 178.46 1b64 h GLU 18 N 0.00 0.32 -5.57 4.15 4.11 -1.92 -3.40 114.58 112.27 1b64 h GLU 18 Ca 0.00 -0.30 -0.22 0.00 0.07 0.00 0.00 59.36 58.91 1b64 h GLU 18 Cb 0.07 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1b64 h GLU 18 CO 0.00 0.97 0.59 0.99 0.07 0.00 0.00 179.01 181.63 1b64 s THR 19 N -3.44 3.35 -0.40 -1.06 2.01 0.04 -4.87 115.64 111.27 1b64 s THR 19 Ca -0.05 -0.35 -0.46 0.00 0.31 0.00 0.00 61.69 61.15 1b64 s THR 19 Cb 0.10 -3.87 -0.20 0.00 0.01 0.00 0.00 72.50 68.54 1b64 s THR 19 CO 0.84 -0.71 1.50 -0.67 -0.69 0.00 0.00 174.62 174.89 1b64 n ASP 20 N 15.35 0.98 0.09 3.53 -0.08 -1.26 -4.81 116.55 130.35 1b64 n ASP 20 Ca 0.42 1.18 -0.05 0.00 -1.51 0.00 0.00 54.79 54.83 1b64 n ASP 20 Cb 0.46 -0.89 0.00 0.00 2.34 0.00 0.00 41.12 43.03 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 4.62 0.04 -0.19 -0.67 2.86 -1.90 -1.97 114.93 117.73 1b64 h MET 21 Ca -0.45 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.13 1b64 h MET 21 Cb 1.38 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.05 1b64 h MET 21 CO 0.91 0.86 0.08 0.00 1.06 0.00 0.00 176.91 179.82 1b64 h ALA 22 N 1.12 0.24 0.08 6.32 0.00 -1.98 0.40 119.26 125.45 1b64 h ALA 22 Ca -0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1b64 h ALA 22 Cb 1.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1b64 h ALA 22 CO 0.11 -0.17 -0.04 0.87 0.00 0.00 0.00 179.25 180.02 1b64 h LYS 23 N 0.15 -0.11 -0.93 0.00 1.57 -1.94 0.50 116.57 115.81 1b64 h LYS 23 Ca 0.06 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.99 1b64 h LYS 23 Cb 0.16 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.41 1b64 h LYS 23 CO -0.01 0.22 0.55 1.25 -0.57 0.00 0.00 179.45 180.90 1b64 h LEU 24 N -0.44 0.74 0.48 2.94 6.46 -1.27 1.43 115.31 125.65 1b64 h LEU 24 Ca -0.01 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1b64 h LEU 24 Cb 0.38 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1b64 h LEU 24 CO 0.02 0.35 -0.23 -0.08 -0.62 0.00 0.00 178.44 177.87 1b64 h GLU 25 N 0.80 -0.62 0.02 1.25 4.81 0.01 -2.66 114.58 118.19 1b64 h GLU 25 Ca 0.49 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.80 1b64 h GLU 25 Cb 0.62 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.09 1b64 h GLU 25 CO -0.32 -0.40 -0.30 0.93 -0.73 0.00 0.00 179.01 178.19 1b64 h GLU 26 N -1.16 -0.44 -0.80 1.92 4.39 0.42 -2.09 114.58 116.82 1b64 h GLU 26 Ca -0.07 0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.76 1b64 h GLU 26 Cb 0.51 0.10 -0.12 0.00 -0.10 0.00 0.00 28.75 29.15 1b64 h GLU 26 CO 0.11 -0.30 -0.52 0.00 -1.16 0.00 0.00 179.01 177.14 1b64 h VAL 28 N -0.12 0.13 -0.21 0.00 2.07 -1.02 1.53 116.25 118.63 1b64 h VAL 28 Ca 0.18 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.67 1b64 h VAL 28 Cb 0.51 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1b64 h VAL 28 CO -0.83 0.00 -0.00 -0.09 0.02 0.00 0.00 177.57 176.67 1b64 h ARG 29 N -0.05 0.30 0.00 1.57 1.12 0.80 -0.49 114.38 117.63 1b64 h ARG 29 Ca 0.33 -0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 59.14 1b64 h ARG 29 Cb 0.59 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.49 1b64 h ARG 29 CO -0.83 0.33 -0.11 0.66 -3.11 0.00 0.00 179.97 176.91 1b64 h SER 30 N 0.29 0.00 -2.85 -3.80 4.64 0.86 -3.42 113.55 109.27 1b64 h SER 30 Ca 0.07 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.86 1b64 h SER 30 Cb 0.20 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.33 1b64 h SER 30 CO 0.00 0.11 0.86 -0.63 -0.87 0.00 0.00 176.83 176.30 1b64 s ILE 31 N -4.21 2.88 0.30 0.95 -1.09 -0.06 -5.00 121.20 114.96 1b64 s ILE 31 Ca -0.03 0.59 0.08 0.00 -2.23 0.00 0.00 60.65 59.05 1b64 s ILE 31 Cb 0.13 -3.38 -0.06 0.00 -1.58 0.00 0.00 42.46 37.58 1b64 s ILE 31 CO 0.58 0.04 -0.07 -1.10 -1.23 0.00 0.00 174.94 173.15 1b64 s GLN 32 N 1.39 1.62 -0.20 2.79 -0.21 -1.26 -5.01 119.66 118.79 1b64 s GLN 32 Ca 0.69 -1.82 -0.34 0.00 0.02 0.00 0.00 55.36 53.90 1b64 s GLN 32 Cb -0.41 -1.32 0.14 0.00 1.00 0.00 0.00 33.01 32.42 1b64 s GLN 32 CO 0.31 0.07 1.21 0.00 -2.12 0.00 0.00 175.29 174.76 1b64 s ALA 33 N -2.89 -2.07 0.53 6.09 0.00 -1.26 -5.04 121.76 117.12 1b64 s ALA 33 Ca 0.30 1.63 -0.21 0.00 0.00 0.00 0.00 51.96 53.68 1b64 s ALA 33 Cb 0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 1b64 s ALA 33 CO 0.13 -0.54 1.22 0.34 0.00 0.00 0.00 175.76 176.91 1b64 s ASP 34 N -1.99 5.60 -1.15 0.00 2.15 -1.26 -2.15 116.67 117.86 1b64 s ASP 34 Ca 0.09 2.43 0.00 0.00 0.43 0.00 0.00 52.55 55.50 1b64 s ASP 34 Cb -0.01 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1b64 s ASP 34 CO -0.05 -1.32 0.00 0.61 -0.17 0.00 0.00 175.17 174.25 1b64 n GLY 35 N 0.51 0.83 3.56 2.66 0.00 -1.26 -4.90 105.19 106.59 1b64 n GLY 35 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.78 3.62 -0.17 0.99 2.96 -0.91 -4.12 118.68 117.27 1b64 s LEU 36 Ca 0.00 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.87 1b64 s LEU 36 Cb 0.00 -1.92 0.04 0.00 0.50 0.00 0.00 46.19 44.81 1b64 s LEU 36 CO 0.00 0.12 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.42 1b64 s VAL 37 N 0.71 1.04 0.81 1.68 1.01 -1.18 -4.74 120.40 119.72 1b64 s VAL 37 Ca 0.02 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 1b64 s VAL 37 Cb -0.13 -1.26 0.20 0.00 0.00 0.00 0.00 36.38 35.18 1b64 s VAL 37 CO 0.02 0.07 0.82 0.79 0.00 0.00 0.00 175.10 176.80 1b64 n TRP 38 N 4.89 -3.74 0.00 5.22 5.03 -1.26 0.33 117.44 127.91 1b64 n TRP 38 Ca -0.11 -0.74 0.00 0.00 3.03 0.00 0.00 57.50 59.68 1b64 n TRP 38 Cb 0.47 -0.78 0.00 0.00 -1.03 0.00 0.00 31.31 29.98 1b64 n TRP 38 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1b64 n GLY 39 N -2.18 0.61 3.41 6.99 0.00 -1.20 -4.55 105.19 108.26 1b64 n GLY 39 Ca 0.11 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 1.53 -0.62 0.36 1.61 0.01 -1.25 -5.05 113.70 110.30 1b64 s SER 40 Ca 0.00 1.08 -0.02 0.00 1.31 0.00 0.00 55.95 58.33 1b64 s SER 40 Cb 0.00 1.01 -0.04 0.00 0.21 0.00 0.00 66.02 67.21 1b64 s SER 40 CO 0.00 -0.20 0.59 -0.94 0.41 0.00 0.00 173.24 173.10 1b64 s SER 41 N 1.02 6.32 0.20 2.44 1.04 -1.26 -3.23 113.70 120.23 1b64 s SER 41 Ca -0.06 0.59 0.08 0.00 0.48 0.00 0.00 55.95 57.05 1b64 s SER 41 Cb -0.06 -2.09 -0.05 0.00 0.10 0.00 0.00 66.02 63.92 1b64 s SER 41 CO -0.09 -0.32 -0.16 -0.54 0.98 0.00 0.00 173.24 173.11 1b64 s LYS 42 N -4.22 1.36 0.19 4.02 1.02 -0.78 -4.95 119.74 116.38 1b64 s LYS 42 Ca 0.42 -1.57 0.11 0.00 0.02 0.00 0.00 55.97 54.95 1b64 s LYS 42 Cb -0.10 -1.26 -0.04 0.00 -0.52 0.00 0.00 37.83 35.91 1b64 s LYS 42 CO 0.36 0.23 -0.20 -0.51 -0.92 0.00 0.00 175.35 174.31 1b64 s LEU 43 N -3.18 2.59 -0.27 3.17 2.01 -1.26 -3.27 118.68 118.47 1b64 s LEU 43 Ca 0.22 -0.78 0.00 0.00 0.01 0.00 0.00 54.13 53.58 1b64 s LEU 43 Cb -0.03 -1.31 0.15 0.00 0.01 0.00 0.00 46.19 45.02 1b64 s LEU 43 CO 0.08 0.12 0.42 -0.69 1.01 0.00 0.00 176.35 177.28 1b64 s VAL 44 N -1.68 -0.66 0.19 -1.59 1.01 -1.25 -4.93 120.40 111.49 1b64 s VAL 44 Ca 0.22 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 1b64 s VAL 44 Cb -0.08 -0.93 -0.08 0.00 0.00 0.00 0.00 36.38 35.29 1b64 s VAL 44 CO 0.11 -0.20 1.12 -2.16 0.00 0.00 0.00 175.10 173.97 1b64 s PRO 45 N 2.58 4.58 0.00 2.72 0.04 -1.26 0.19 135.00 143.85 1b64 s PRO 45 Ca 0.11 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1b64 s PRO 45 Cb -0.13 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1b64 s PRO 45 CO -0.25 0.06 0.00 0.28 0.04 0.00 0.00 177.00 177.14 1b64 n VAL 46 N 2.26 0.00 -3.83 -0.36 0.31 -1.25 -4.95 118.33 110.51 1b64 n VAL 46 Ca 0.03 0.12 -0.11 0.00 -0.01 0.00 0.00 64.34 64.37 1b64 n VAL 46 Cb 0.46 -1.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.31 1b64 n VAL 46 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1b64 s GLY 47 N -2.39 0.01 0.00 2.92 0.00 -1.26 -5.08 107.32 101.51 1b64 s GLY 47 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.48 1b64 s GLY 47 CO 0.00 -0.42 0.00 -1.72 0.00 0.00 0.00 173.10 170.96 1b64 n TYR 48 N 0.67 -0.83 -1.03 1.90 4.01 -1.26 -2.74 117.16 117.87 1b64 n TYR 48 Ca -0.19 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.42 1b64 n TYR 48 Cb 0.59 0.15 -0.15 0.00 -0.31 0.00 0.00 39.34 39.62 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 3.14 3.35 2.72 0.00 -1.26 -4.83 105.19 108.31 1b64 n GLY 49 Ca 0.00 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.60 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 0.55 1.67 0.20 -0.61 1.01 -1.11 -4.18 121.20 118.73 1b64 s ILE 50 Ca 0.63 -2.19 -0.12 0.00 0.00 0.00 0.00 60.65 58.97 1b64 s ILE 50 Cb 0.31 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.69 1b64 s ILE 50 CO -0.03 -0.56 0.41 -0.54 0.00 0.00 0.00 174.94 174.23 1b64 s LYS 51 N -3.67 1.36 -0.08 2.79 3.01 -1.26 -3.88 119.74 118.01 1b64 s LYS 51 Ca 0.23 -1.13 -0.23 0.00 -1.01 0.00 0.00 55.97 53.84 1b64 s LYS 51 Cb 0.00 0.45 -0.04 0.00 -1.01 0.00 0.00 37.83 37.23 1b64 s LYS 51 CO 0.07 -0.54 0.68 0.15 0.51 0.00 0.00 175.35 176.21 1b64 s LYS 52 N -3.96 4.41 -1.27 1.68 1.02 0.13 -4.54 119.74 117.20 1b64 s LYS 52 Ca 0.17 0.82 -0.08 0.00 0.02 0.00 0.00 55.97 56.90 1b64 s LYS 52 Cb 0.01 -3.46 0.17 0.00 -0.52 0.00 0.00 37.83 34.03 1b64 s LYS 52 CO 0.03 0.05 1.92 1.28 -0.92 0.00 0.00 175.35 177.71 1b64 n LEU 53 N 3.87 6.84 -4.85 3.17 7.99 -0.21 -3.75 117.00 130.05 1b64 n LEU 53 Ca -0.02 -4.71 -0.37 0.00 -0.01 0.00 0.00 56.01 50.90 1b64 n LEU 53 Cb 0.51 -1.45 -0.06 0.00 -0.11 0.00 0.00 43.42 42.31 1b64 n LEU 53 CO 0.46 1.49 0.06 -1.58 -1.51 0.00 0.00 177.39 176.32 1b64 s GLN 54 N -0.02 3.81 0.09 3.23 0.74 -1.20 -0.71 119.66 125.59 1b64 s GLN 54 Ca 0.41 0.27 -0.08 0.00 0.05 0.00 0.00 55.36 56.01 1b64 s GLN 54 Cb 0.11 -3.16 -0.01 0.00 1.10 0.00 0.00 33.01 31.05 1b64 s GLN 54 CO -0.00 0.67 0.17 0.96 -0.55 0.00 0.00 175.29 176.54 1b64 s ILE 55 N -1.16 0.15 0.02 -2.34 -0.00 -0.93 -1.87 121.20 115.06 1b64 s ILE 55 Ca 0.25 -1.29 0.04 0.00 -0.00 0.00 0.00 60.65 59.65 1b64 s ILE 55 Cb -0.15 -1.42 -0.02 0.00 -0.00 0.00 0.00 42.46 40.87 1b64 s ILE 55 CO 0.13 -0.66 -0.13 -1.58 -0.00 0.00 0.00 174.94 172.70 1b64 s GLN 56 N -3.88 0.96 0.27 0.37 -0.44 -1.20 -0.91 119.66 114.83 1b64 s GLN 56 Ca 0.07 -0.62 0.03 0.00 -2.50 0.00 0.00 55.36 52.34 1b64 s GLN 56 Cb 0.05 -0.94 -0.04 0.00 -1.64 0.00 0.00 33.01 30.44 1b64 s GLN 56 CO -0.10 0.24 0.20 0.00 0.50 0.00 0.00 175.29 176.14 1b64 s VAL 58 N -3.76 0.93 0.83 0.00 1.01 0.15 -2.82 120.40 116.73 1b64 s VAL 58 Ca 0.39 -2.49 -0.09 0.00 0.00 0.00 0.00 61.98 59.79 1b64 s VAL 58 Cb 0.05 -1.65 0.14 0.00 0.00 0.00 0.00 36.38 34.92 1b64 s VAL 58 CO 0.20 -1.01 1.15 0.68 0.00 0.00 0.00 175.10 176.12 1b64 s VAL 59 N 0.33 2.10 0.25 2.92 -7.23 0.34 -3.11 120.40 116.01 1b64 s VAL 59 Ca 0.22 -0.24 -0.03 0.00 -1.81 0.00 0.00 61.98 60.12 1b64 s VAL 59 Cb -0.16 -2.86 0.06 0.00 0.56 0.00 0.00 36.38 33.98 1b64 s VAL 59 CO -0.06 0.00 0.35 -0.62 -0.31 0.00 0.00 175.10 174.46 1b64 n GLU 60 N -3.29 -0.17 0.04 4.82 4.71 -1.24 0.14 120.64 125.65 1b64 n GLU 60 Ca 0.13 -0.62 -0.07 0.00 -0.01 0.00 0.00 57.16 56.60 1b64 n GLU 60 Cb 0.60 -0.33 -0.04 0.00 -1.01 0.00 0.00 31.44 30.66 1b64 n GLU 60 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1b64 h ASP 61 N -0.41 -0.18 0.00 1.62 3.58 -1.08 -3.34 116.42 116.61 1b64 h ASP 61 Ca -0.11 -0.19 -0.06 0.00 0.42 0.00 0.00 57.03 57.09 1b64 h ASP 61 Cb 0.33 0.05 -0.12 0.00 1.72 0.00 0.00 39.33 41.30 1b64 h ASP 61 CO 0.09 0.37 -0.59 -0.67 -2.88 0.00 0.00 179.24 175.56 1b64 n ASP 62 N -4.90 1.00 -0.11 2.28 -0.08 -1.26 -4.76 116.55 108.72 1b64 n ASP 62 Ca -0.05 -2.49 -0.14 0.00 -1.51 0.00 0.00 54.79 50.60 1b64 n ASP 62 Cb 0.18 -0.32 -0.10 0.00 2.34 0.00 0.00 41.12 43.21 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 -0.27 0.61 -3.95 -0.67 3.00 -1.26 -5.01 118.16 110.62 1b64 n LYS 63 Ca 0.08 0.11 -0.10 0.00 -0.00 0.00 0.00 58.31 58.40 1b64 n LYS 63 Cb 0.83 -1.44 -0.12 0.00 0.00 0.00 0.00 35.03 34.31 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 -2.43 0.08 0.00 3.15 1.01 -1.26 -4.91 120.40 116.04 1b64 s VAL 64 Ca -0.27 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1b64 s VAL 64 Cb 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.24 1b64 s VAL 64 CO 0.52 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1b64 n GLY 65 N 1.92 1.77 0.80 4.51 0.00 -1.26 -3.72 105.19 109.22 1b64 n GLY 65 Ca -0.21 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 0.00 -0.04 2.61 -1.04 -1.26 -4.88 114.28 109.68 1b64 n THR 66 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 1b64 n THR 66 Cb 0.00 0.32 -0.13 0.00 -1.82 0.00 0.00 70.33 68.70 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 0.00 2.03 -0.02 8.00 5.75 -1.26 -3.55 116.55 127.50 1b64 n ASP 67 Ca -0.18 0.27 -0.12 0.00 -0.01 0.00 0.00 54.79 54.75 1b64 n ASP 67 Cb 0.58 -0.88 -0.10 0.00 -1.03 0.00 0.00 41.12 39.69 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 -0.30 -0.05 -0.63 0.11 4.05 -1.98 -1.98 114.93 114.16 1b64 h MET 68 Ca -0.41 0.00 0.18 0.00 -0.28 0.00 0.00 59.70 59.19 1b64 h MET 68 Cb 1.79 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 32.57 1b64 h MET 68 CO -0.03 0.60 0.47 -0.07 0.23 0.00 0.00 176.91 178.11 1b64 h LEU 69 N -0.82 0.00 0.19 3.39 3.38 -1.92 0.17 115.31 119.70 1b64 h LEU 69 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1b64 h LEU 69 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1b64 h LEU 69 CO 0.01 0.00 -0.09 -0.08 0.09 0.00 0.00 178.44 178.37 1b64 h GLU 70 N 0.00 -0.25 0.00 1.13 4.81 -1.60 0.25 114.58 118.92 1b64 h GLU 70 Ca 0.30 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1b64 h GLU 70 Cb 1.23 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1b64 h GLU 70 CO -0.00 0.03 0.06 -0.85 -0.73 0.00 0.00 179.01 177.51 1b64 n GLU 71 N -4.94 0.09 -0.11 1.92 0.28 -0.64 0.18 120.64 117.43 1b64 n GLU 71 Ca -0.06 0.57 -0.24 0.00 -0.16 0.00 0.00 57.16 57.28 1b64 n GLU 71 Cb 0.20 -1.85 -0.11 0.00 1.43 0.00 0.00 31.44 31.10 1b64 n GLU 71 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1b64 n GLN 72 N -1.98 0.63 0.00 3.44 1.13 0.49 -3.11 117.38 117.98 1b64 n GLN 72 Ca -0.01 0.29 -0.10 0.00 -1.94 0.00 0.00 57.00 55.24 1b64 n GLN 72 Cb 0.08 -1.58 -0.08 0.00 0.11 0.00 0.00 30.24 28.76 1b64 n GLN 72 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1b64 h ILE 73 N -0.55 1.04 0.00 5.09 2.04 0.68 -3.20 117.51 122.61 1b64 h ILE 73 Ca -0.56 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 63.86 1b64 h ILE 73 Cb 1.70 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.62 1b64 h ILE 73 CO -0.21 0.30 0.00 0.35 0.00 0.00 0.00 178.15 178.59 1b64 n THR 74 N -4.81 0.83 0.00 -0.27 -2.24 0.48 -2.73 114.28 105.54 1b64 n THR 74 Ca -0.07 0.22 0.23 0.00 -2.27 0.00 0.00 64.05 62.15 1b64 n THR 74 Cb 0.29 -1.14 0.67 0.00 -2.10 0.00 0.00 70.33 68.05 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 2.28 2.35 -1.92 6.98 0.00 -1.48 -3.18 119.26 124.29 1b64 h ALA 75 Ca 0.00 -0.02 -0.72 0.00 0.00 0.00 0.00 54.91 54.16 1b64 h ALA 75 Cb 0.37 0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.01 1b64 h ALA 75 CO 0.00 -0.96 1.00 -0.06 0.00 0.00 0.00 179.25 179.23 1b64 s PHE 76 N -4.57 3.41 -1.54 0.00 0.08 -1.10 -4.78 117.98 109.47 1b64 s PHE 76 Ca -0.04 -1.85 0.23 0.00 0.12 0.00 0.00 56.93 55.39 1b64 s PHE 76 Cb 0.15 -4.24 1.21 0.00 -0.57 0.00 0.00 43.02 39.57 1b64 s PHE 76 CO 0.53 -1.38 1.76 0.39 -0.10 0.00 0.00 175.22 176.42 1b64 n GLU 77 N 5.73 0.41 -0.69 0.44 -0.58 -1.20 -0.70 120.64 124.05 1b64 n GLU 77 Ca 0.29 0.06 0.07 0.00 -0.42 0.00 0.00 57.16 57.16 1b64 n GLU 77 Cb 0.45 -1.50 0.34 0.00 -0.57 0.00 0.00 31.44 30.16 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 -1.23 4.76 0.00 1.62 8.00 -1.26 -4.42 116.55 124.02 1b64 n ASP 78 Ca 0.12 -2.64 0.00 0.00 0.71 0.00 0.00 54.79 52.98 1b64 n ASP 78 Cb 0.16 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 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 0.71 -0.59 -2.92 1.24 4.01 -0.95 -4.98 117.16 113.68 1b64 n TYR 79 Ca 0.23 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.57 1b64 n TYR 79 Cb 0.96 0.20 -0.04 0.00 -0.31 0.00 0.00 39.34 40.15 1b64 n TYR 79 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1b64 s VAL 80 N -1.40 4.94 -0.02 -0.72 1.01 0.12 -0.71 120.40 123.62 1b64 s VAL 80 Ca 0.00 1.62 -0.07 0.00 0.00 0.00 0.00 61.98 63.53 1b64 s VAL 80 Cb 0.00 -4.13 -0.29 0.00 0.00 0.00 0.00 36.38 31.96 1b64 s VAL 80 CO 0.00 0.13 0.76 -0.61 0.00 0.00 0.00 175.10 175.38 1b64 h GLN 81 N 7.03 0.33 -0.01 2.72 4.15 -0.42 -3.42 115.11 125.49 1b64 h GLN 81 Ca -0.36 -0.56 0.29 0.00 0.77 0.00 0.00 58.65 58.79 1b64 h GLN 81 Cb 1.17 0.21 -0.25 0.00 0.21 0.00 0.00 27.48 28.82 1b64 h GLN 81 CO 0.79 1.22 0.47 -1.12 -1.93 0.00 0.00 178.83 178.26 1b64 s SER 82 N -7.15 -0.00 0.35 -0.69 0.01 -1.24 -5.02 113.70 99.96 1b64 s SER 82 Ca -0.13 0.00 -0.13 0.00 1.31 0.00 0.00 55.95 57.01 1b64 s SER 82 Cb 0.06 1.00 -0.08 0.00 0.21 0.00 0.00 66.02 67.22 1b64 s SER 82 CO 0.86 -0.00 0.74 -0.32 0.41 0.00 0.00 173.24 174.92 1b64 s MET 83 N 2.44 3.90 0.14 12.44 1.75 -1.26 -3.26 119.30 135.45 1b64 s MET 83 Ca -0.05 0.57 -0.03 0.00 -1.25 0.00 0.00 55.69 54.94 1b64 s MET 83 Cb -0.04 -2.43 0.01 0.00 2.84 0.00 0.00 34.83 35.22 1b64 s MET 83 CO -0.12 0.09 0.23 -0.25 -0.65 0.00 0.00 175.02 174.33 1b64 n ASP 84 N -0.71 -0.67 -4.67 1.11 8.00 -1.23 -5.02 116.55 113.36 1b64 n ASP 84 Ca 0.03 -1.67 -0.32 0.00 0.71 0.00 0.00 54.79 53.53 1b64 n ASP 84 Cb 0.53 1.17 -0.09 0.00 -0.02 0.00 0.00 41.12 42.72 1b64 n ASP 84 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1b64 s VAL 85 N -2.61 4.11 -0.03 2.53 0.11 -1.26 -3.35 120.40 119.89 1b64 s VAL 85 Ca 0.09 -0.62 0.13 0.00 -2.93 0.00 0.00 61.98 58.65 1b64 s VAL 85 Cb -0.01 -2.83 -0.21 0.00 -1.53 0.00 0.00 36.38 31.80 1b64 s VAL 85 CO 0.07 0.37 0.27 0.00 -3.33 0.00 0.00 175.10 172.48 1b64 n ALA 86 N 1.39 2.42 0.00 1.54 0.00 0.01 -4.79 120.51 121.09 1b64 n ALA 86 Ca -0.15 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1b64 n ALA 86 Cb 0.53 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.02 0.00 -3.25 0.00 0.00 -1.12 -4.95 120.51 109.17 1b64 n ALA 87 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.35 1b64 n ALA 87 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.29 0.35 0.00 5.36 -1.26 -3.78 117.98 115.35 1b64 s PHE 88 Ca 0.00 0.43 -0.06 0.00 -0.96 0.00 0.00 56.93 56.34 1b64 s PHE 88 Cb 0.00 0.02 0.01 0.00 -0.34 0.00 0.00 43.02 42.72 1b64 s PHE 88 CO 0.00 -1.04 0.55 -0.80 -1.46 0.00 0.00 175.22 172.47 1b64 s ASN 89 N 2.43 0.68 0.74 6.13 0.01 -1.24 -5.11 114.94 118.58 1b64 s ASN 89 Ca 0.11 -1.39 -0.12 0.00 -0.71 0.00 0.00 52.86 50.76 1b64 s ASN 89 Cb -0.11 0.71 0.03 0.00 0.41 0.00 0.00 41.25 42.29 1b64 s ASN 89 CO -0.23 -1.39 1.10 -0.75 -1.51 0.00 0.00 177.10 174.33 1b64 s LYS 90 N -2.91 2.57 0.00 -0.60 2.20 -1.26 -2.80 119.74 116.94 1b64 s LYS 90 Ca 0.27 0.48 0.02 0.00 -0.36 0.00 0.00 55.97 56.37 1b64 s LYS 90 Cb -0.02 -1.99 0.01 0.00 -1.51 0.00 0.00 37.83 34.33 1b64 s LYS 90 CO 0.18 -1.24 0.55 1.51 -0.36 0.00 0.00 175.35 175.99