#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 3.44 0.33 4.03 1.43 -1.26 -5.14 118.68 121.51 1b64 s LEU 2 Ca 0.00 -0.65 -0.10 0.00 -1.03 0.00 0.00 54.13 52.35 1b64 s LEU 2 Cb 0.00 -2.22 0.02 0.00 0.03 0.00 0.00 46.19 44.02 1b64 s LEU 2 CO 0.00 -0.78 0.58 0.54 0.23 0.00 0.00 176.35 176.92 1b64 s VAL 3 N -2.46 0.00 -0.00 -1.59 0.11 -1.26 -5.08 120.40 110.13 1b64 s VAL 3 Ca 0.51 -1.35 -0.00 0.00 -2.93 0.00 0.00 61.98 58.21 1b64 s VAL 3 Cb -0.06 -2.57 0.00 0.00 -1.53 0.00 0.00 36.38 32.22 1b64 s VAL 3 CO 0.30 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.07 1b64 n ALA 4 N -0.51 -3.00 -2.29 1.54 0.00 -1.26 -4.66 120.51 110.33 1b64 n ALA 4 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.20 1b64 n ALA 4 Cb 0.61 -0.01 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.10 2.43 0.19 0.00 -0.14 -1.26 0.16 119.74 121.02 1b64 s LYS 5 Ca -0.00 -1.65 -0.03 0.00 -1.36 0.00 0.00 55.97 52.92 1b64 s LYS 5 Cb 0.00 -2.25 -0.03 0.00 -1.68 0.00 0.00 37.83 33.87 1b64 s LYS 5 CO 0.00 -0.21 0.18 0.45 -0.76 0.00 0.00 175.35 175.01 1b64 s SER 6 N -4.08 0.14 0.10 2.83 0.15 0.28 -4.17 113.70 108.95 1b64 s SER 6 Ca 0.45 -1.23 0.08 0.00 0.70 0.00 0.00 55.95 55.96 1b64 s SER 6 Cb -0.01 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.65 1b64 s SER 6 CO 0.26 -0.86 -0.15 -0.55 1.20 0.00 0.00 173.24 173.14 1b64 s SER 7 N -3.09 4.08 -0.21 5.45 0.15 -0.52 -1.49 113.70 118.06 1b64 s SER 7 Ca 0.31 -0.47 -0.07 0.00 0.70 0.00 0.00 55.95 56.41 1b64 s SER 7 Cb 0.06 -0.67 0.10 0.00 -1.71 0.00 0.00 66.02 63.79 1b64 s SER 7 CO 0.08 0.19 0.45 -0.63 1.20 0.00 0.00 173.24 174.52 1b64 s ILE 8 N -1.14 -0.70 -0.02 6.45 1.09 -0.98 -3.03 121.20 122.87 1b64 s ILE 8 Ca 0.19 0.14 -0.02 0.00 -1.10 0.00 0.00 60.65 59.86 1b64 s ILE 8 Cb -0.11 -0.71 -0.04 0.00 -1.06 0.00 0.00 42.46 40.54 1b64 s ILE 8 CO 0.11 0.06 0.13 -0.22 -0.10 0.00 0.00 174.94 174.92 1b64 s LEU 9 N 2.65 4.15 0.12 2.97 2.96 -1.25 -0.94 118.68 129.34 1b64 s LEU 9 Ca -0.02 0.27 0.06 0.00 -0.22 0.00 0.00 54.13 54.22 1b64 s LEU 9 Cb -0.12 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 1b64 s LEU 9 CO -0.14 0.28 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.28 1b64 s LEU 10 N -1.74 2.41 -0.40 -0.68 1.02 -0.12 -2.28 118.68 116.89 1b64 s LEU 10 Ca 0.24 -0.83 0.01 0.00 0.02 0.00 0.00 54.13 53.58 1b64 s LEU 10 Cb -0.12 -0.53 0.14 0.00 0.02 0.00 0.00 46.19 45.70 1b64 s LEU 10 CO 0.15 -0.16 0.24 -1.81 0.02 0.00 0.00 176.35 174.79 1b64 s ASP 11 N -2.51 3.11 0.19 2.29 1.01 -1.23 -1.98 116.67 117.54 1b64 s ASP 11 Ca 0.09 -2.50 -0.14 0.00 0.71 0.00 0.00 52.55 50.71 1b64 s ASP 11 Cb -0.04 -0.68 -0.07 0.00 1.01 0.00 0.00 42.92 43.13 1b64 s ASP 11 CO 0.03 -0.27 0.59 -0.69 0.21 0.00 0.00 175.17 175.04 1b64 s VAL 12 N 0.61 4.81 -0.13 -1.27 1.01 -0.57 -3.43 120.40 121.44 1b64 s VAL 12 Ca 0.20 0.84 -0.00 0.00 0.00 0.00 0.00 61.98 63.01 1b64 s VAL 12 Cb -0.20 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1b64 s VAL 12 CO -0.02 0.13 -0.13 -0.75 0.00 0.00 0.00 175.10 174.33 1b64 s LYS 13 N -2.23 3.35 0.76 2.72 2.47 -1.22 -1.35 119.74 124.23 1b64 s LYS 13 Ca 0.42 -0.68 -0.11 0.00 -1.56 0.00 0.00 55.97 54.04 1b64 s LYS 13 Cb -0.14 -2.63 0.05 0.00 -1.46 0.00 0.00 37.83 33.65 1b64 s LYS 13 CO 0.20 0.24 1.08 -1.25 0.16 0.00 0.00 175.35 175.78 1b64 s PRO 14 N 0.29 2.40 0.23 4.03 0.04 -1.26 0.16 135.00 140.90 1b64 s PRO 14 Ca -0.10 0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1b64 s PRO 14 Cb -0.16 -1.95 0.24 0.00 0.04 0.00 0.00 34.50 32.68 1b64 s PRO 14 CO 0.05 -1.43 1.60 -1.49 0.04 0.00 0.00 177.00 175.77 1b64 h TRP 15 N -0.95 0.58 0.00 0.56 -0.00 -1.52 -3.38 115.95 111.24 1b64 h TRP 15 Ca -0.46 -0.17 0.00 0.00 -0.00 0.00 0.00 58.89 58.26 1b64 h TRP 15 Cb 1.25 -0.12 0.00 0.00 -0.00 0.00 0.00 29.16 30.29 1b64 h TRP 15 CO 0.52 0.84 0.00 -0.25 -0.00 0.00 0.00 178.44 179.55 1b64 n ASP 16 N -4.01 0.00 0.28 -3.49 8.00 -1.26 -4.96 116.55 111.11 1b64 n ASP 16 Ca -0.02 0.00 0.18 0.00 0.71 0.00 0.00 54.79 55.66 1b64 n ASP 16 Cb 0.53 0.00 0.87 0.00 -0.02 0.00 0.00 41.12 42.50 1b64 n ASP 16 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1b64 h ASP 17 N 0.00 0.00 -0.06 -2.24 3.58 -1.93 0.44 116.42 116.21 1b64 h ASP 17 Ca 0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1b64 h ASP 17 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1b64 h ASP 17 CO 0.00 0.00 -0.06 1.05 -2.88 0.00 0.00 179.24 177.35 1b64 h GLU 18 N 0.00 0.29 -6.30 0.28 4.11 -1.93 -3.40 114.58 107.63 1b64 h GLU 18 Ca 0.05 -0.06 -0.57 0.00 0.07 0.00 0.00 59.36 58.85 1b64 h GLU 18 Cb 0.60 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1b64 h GLU 18 CO -0.00 0.37 1.24 0.99 0.07 0.00 0.00 179.01 181.68 1b64 s THR 19 N -4.86 3.56 0.16 -1.06 2.01 0.15 -4.93 115.64 110.68 1b64 s THR 19 Ca -0.06 0.55 -0.32 0.00 0.31 0.00 0.00 61.69 62.18 1b64 s THR 19 Cb 0.16 -3.81 -0.11 0.00 0.01 0.00 0.00 72.50 68.75 1b64 s THR 19 CO 0.73 -0.55 1.71 -1.81 -0.69 0.00 0.00 174.62 174.01 1b64 s ASP 20 N 5.80 6.46 0.00 3.53 1.01 -1.26 -4.86 116.67 127.34 1b64 s ASP 20 Ca 0.74 2.75 0.28 0.00 0.71 0.00 0.00 52.55 57.02 1b64 s ASP 20 Cb -0.19 -2.59 1.03 0.00 1.01 0.00 0.00 42.92 42.18 1b64 s ASP 20 CO 0.32 -0.94 1.76 0.23 0.21 0.00 0.00 175.17 176.75 1b64 n MET 21 N 4.58 0.31 0.06 8.23 2.81 -1.26 -2.17 117.12 129.69 1b64 n MET 21 Ca 0.16 -0.11 -0.17 0.00 -1.81 0.00 0.00 57.70 55.77 1b64 n MET 21 Cb 0.37 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.24 1b64 n MET 21 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1b64 h ALA 22 N 3.27 0.26 0.03 3.04 0.00 -1.98 -2.66 119.26 121.23 1b64 h ALA 22 Ca 0.00 -1.11 -0.10 0.00 0.00 0.00 0.00 54.91 53.70 1b64 h ALA 22 Cb 0.44 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1b64 h ALA 22 CO 0.00 1.13 -0.51 0.87 0.00 0.00 0.00 179.25 180.73 1b64 h LYS 23 N 0.07 0.06 -0.91 0.00 1.57 -1.96 -0.63 116.57 114.77 1b64 h LYS 23 Ca -0.25 -0.10 0.08 0.00 -1.87 0.00 0.00 60.65 58.51 1b64 h LYS 23 Cb 2.02 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 34.31 1b64 h LYS 23 CO 0.16 1.05 0.59 1.25 -0.57 0.00 0.00 179.45 181.93 1b64 h LEU 24 N -0.86 0.88 0.05 2.94 6.46 -1.60 0.85 115.31 124.04 1b64 h LEU 24 Ca -0.12 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1b64 h LEU 24 Cb 1.22 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 1b64 h LEU 24 CO -0.02 0.55 -0.03 -0.08 -0.62 0.00 0.00 178.44 178.24 1b64 h GLU 25 N 0.99 -0.07 0.39 1.25 4.81 -1.57 -2.74 114.58 117.63 1b64 h GLU 25 Ca 0.41 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1b64 h GLU 25 Cb 0.28 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1b64 h GLU 25 CO -0.16 0.55 -0.40 0.93 -0.73 0.00 0.00 179.01 179.20 1b64 h GLU 26 N -0.83 -0.78 -0.61 1.92 4.39 -0.71 -1.60 114.58 116.36 1b64 h GLU 26 Ca -0.01 0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.85 1b64 h GLU 26 Cb 0.65 0.18 -0.12 0.00 -0.10 0.00 0.00 28.75 29.36 1b64 h GLU 26 CO 0.01 -0.52 -0.33 0.00 -1.16 0.00 0.00 179.01 177.02 1b64 h VAL 28 N -0.15 0.43 0.08 0.00 2.07 -1.11 -0.01 116.25 117.56 1b64 h VAL 28 Ca 0.24 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1b64 h VAL 28 Cb 0.55 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1b64 h VAL 28 CO -0.69 0.08 -0.04 0.03 0.02 0.00 0.00 177.57 176.97 1b64 h ARG 29 N 0.45 -0.10 -0.95 1.57 2.47 0.21 -3.27 114.38 114.77 1b64 h ARG 29 Ca 0.67 0.01 0.28 0.00 -1.26 0.00 0.00 59.98 59.68 1b64 h ARG 29 Cb 1.38 0.02 -0.18 0.00 -1.65 0.00 0.00 29.97 29.55 1b64 h ARG 29 CO -0.54 0.46 0.11 -1.13 0.56 0.00 0.00 179.97 179.42 1b64 n SER 30 N -4.81 -0.03 -4.56 7.04 3.41 0.36 -4.43 113.62 110.59 1b64 n SER 30 Ca -0.08 1.60 -0.56 0.00 -0.26 0.00 0.00 58.87 59.58 1b64 n SER 30 Cb 0.30 -0.62 -0.07 0.00 -0.26 0.00 0.00 64.21 63.56 1b64 n SER 30 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1b64 n ILE 31 N -5.36 0.01 -3.73 -1.33 5.41 -0.32 -4.95 119.36 109.10 1b64 n ILE 31 Ca 0.25 -0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.87 1b64 n ILE 31 Cb 0.82 -0.45 -0.10 0.00 -0.71 0.00 0.00 39.64 39.19 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 0.41 0.43 0.20 0.38 0.74 -1.26 -4.90 119.66 115.66 1b64 s GLN 32 Ca 0.88 0.59 -0.12 0.00 0.05 0.00 0.00 55.36 56.76 1b64 s GLN 32 Cb -1.12 0.15 0.00 0.00 1.10 0.00 0.00 33.01 33.15 1b64 s GLN 32 CO 0.53 -0.08 0.41 0.00 -0.55 0.00 0.00 175.29 175.60 1b64 s ALA 33 N 0.52 -0.31 0.32 1.58 0.00 -1.26 -5.08 121.76 117.53 1b64 s ALA 33 Ca -0.03 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 50.92 1b64 s ALA 33 Cb -0.04 0.94 -0.10 0.00 0.00 0.00 0.00 23.12 23.92 1b64 s ALA 33 CO -0.03 -0.76 1.36 0.34 0.00 0.00 0.00 175.76 176.67 1b64 s ASP 34 N -2.97 6.69 0.00 0.00 -1.08 -1.26 -1.55 116.67 116.51 1b64 s ASP 34 Ca 0.17 2.73 0.00 0.00 -0.52 0.00 0.00 52.55 54.93 1b64 s ASP 34 Cb 0.01 -2.65 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 1b64 s ASP 34 CO 0.03 -0.62 0.00 0.61 0.52 0.00 0.00 175.17 175.71 1b64 n GLY 35 N 1.08 0.18 3.52 2.66 0.00 -1.26 -4.89 105.19 106.48 1b64 n GLY 35 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 3.02 -0.03 0.99 2.96 -0.59 -2.49 118.68 122.54 1b64 s LEU 36 Ca 0.00 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.76 1b64 s LEU 36 Cb 0.00 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 45.04 1b64 s LEU 36 CO 0.00 0.31 0.10 -0.69 -1.32 0.00 0.00 176.35 174.75 1b64 s VAL 37 N -0.50 0.02 0.40 1.68 1.01 -0.14 -4.46 120.40 118.41 1b64 s VAL 37 Ca 0.07 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.96 1b64 s VAL 37 Cb -0.12 -0.19 0.07 0.00 0.00 0.00 0.00 36.38 36.14 1b64 s VAL 37 CO 0.02 -0.07 0.56 0.79 0.00 0.00 0.00 175.10 176.40 1b64 n TRP 38 N 2.77 -2.71 0.00 5.22 7.02 -1.26 0.19 117.44 128.67 1b64 n TRP 38 Ca -0.14 -1.30 0.00 0.00 -1.02 0.00 0.00 57.50 55.04 1b64 n TRP 38 Cb 0.59 -0.39 0.00 0.00 -2.42 0.00 0.00 31.31 29.08 1b64 n TRP 38 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1b64 n GLY 39 N 0.30 4.51 3.50 6.99 0.00 -0.98 -4.51 105.19 115.00 1b64 n GLY 39 Ca 0.11 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 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 1.48 4.90 0.53 1.61 0.01 -1.26 -4.92 113.70 116.04 1b64 s SER 40 Ca 0.00 -0.12 -0.04 0.00 1.31 0.00 0.00 55.95 57.09 1b64 s SER 40 Cb 0.00 -1.81 -0.01 0.00 0.21 0.00 0.00 66.02 64.41 1b64 s SER 40 CO 0.00 0.15 0.82 -0.94 0.41 0.00 0.00 173.24 173.68 1b64 s SER 41 N 0.51 5.85 0.13 2.44 1.04 -1.26 -3.68 113.70 118.73 1b64 s SER 41 Ca -0.02 0.70 0.05 0.00 0.48 0.00 0.00 55.95 57.17 1b64 s SER 41 Cb -0.14 -1.85 -0.04 0.00 0.10 0.00 0.00 66.02 64.09 1b64 s SER 41 CO 0.02 -0.84 -0.13 -0.54 0.98 0.00 0.00 173.24 172.74 1b64 s LYS 42 N -4.83 1.04 0.15 4.02 1.02 -0.26 -4.96 119.74 115.92 1b64 s LYS 42 Ca 0.51 -1.31 0.09 0.00 0.02 0.00 0.00 55.97 55.28 1b64 s LYS 42 Cb -0.10 -0.81 -0.04 0.00 -0.52 0.00 0.00 37.83 36.36 1b64 s LYS 42 CO 0.44 0.14 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.28 1b64 s LEU 43 N -2.71 2.39 -0.29 3.17 2.01 -1.26 -3.13 118.68 118.87 1b64 s LEU 43 Ca 0.12 -0.81 0.02 0.00 0.01 0.00 0.00 54.13 53.47 1b64 s LEU 43 Cb -0.02 -0.98 0.16 0.00 0.01 0.00 0.00 46.19 45.36 1b64 s LEU 43 CO 0.02 0.05 0.42 -0.69 1.01 0.00 0.00 176.35 177.17 1b64 s VAL 44 N -1.61 -0.66 0.17 -1.59 1.01 -1.25 -4.96 120.40 111.51 1b64 s VAL 44 Ca 0.15 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 1b64 s VAL 44 Cb -0.08 -0.99 -0.07 0.00 0.00 0.00 0.00 36.38 35.24 1b64 s VAL 44 CO 0.07 -0.27 1.12 -2.16 0.00 0.00 0.00 175.10 173.86 1b64 s PRO 45 N 2.56 4.56 -0.32 2.72 0.04 -1.26 -0.34 135.00 142.96 1b64 s PRO 45 Ca 0.10 1.75 0.17 0.00 0.04 0.00 0.00 61.00 63.05 1b64 s PRO 45 Cb -0.12 -3.28 0.45 0.00 0.04 0.00 0.00 34.50 31.59 1b64 s PRO 45 CO -0.30 0.02 1.23 1.55 0.04 0.00 0.00 177.00 179.53 1b64 n VAL 46 N 2.53 0.67 0.00 -0.36 3.14 -1.25 -4.95 118.33 118.11 1b64 n VAL 46 Ca 0.03 -2.22 0.00 0.00 -2.96 0.00 0.00 64.34 59.19 1b64 n VAL 46 Cb 0.46 1.03 0.00 0.00 -1.06 0.00 0.00 33.84 34.27 1b64 n VAL 46 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1b64 n GLY 47 N -0.71 1.74 3.20 7.55 0.00 -1.26 -4.93 105.19 110.78 1b64 n GLY 47 Ca -0.01 0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.34 0.00 1.61 9.36 -1.26 0.15 117.16 127.36 1b64 n TYR 48 Ca 0.00 0.23 0.00 0.00 3.32 0.00 0.00 57.90 61.45 1b64 n TYR 48 Cb 0.00 -1.59 0.00 0.00 -0.63 0.00 0.00 39.34 37.12 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 5.63 3.71 3.94 2.98 0.00 -1.26 -5.04 105.19 115.14 1b64 n GLY 49 Ca 0.61 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 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 5.11 0.17 -0.61 1.09 0.40 -4.15 121.20 123.22 1b64 s ILE 50 Ca 0.00 -0.39 -0.17 0.00 -1.10 0.00 0.00 60.65 58.99 1b64 s ILE 50 Cb 0.00 -3.83 0.03 0.00 -1.06 0.00 0.00 42.46 37.60 1b64 s ILE 50 CO 0.00 -0.48 0.49 -0.54 -0.10 0.00 0.00 174.94 174.31 1b64 s LYS 51 N -4.09 1.29 0.09 2.79 1.02 -1.26 -3.80 119.74 115.78 1b64 s LYS 51 Ca 0.40 -0.82 -0.25 0.00 0.02 0.00 0.00 55.97 55.33 1b64 s LYS 51 Cb -0.10 0.51 -0.07 0.00 -0.52 0.00 0.00 37.83 37.65 1b64 s LYS 51 CO 0.34 -0.54 0.75 0.21 -0.92 0.00 0.00 175.35 175.20 1b64 s LYS 52 N -3.85 4.50 -1.02 1.68 2.20 0.54 -4.49 119.74 119.28 1b64 s LYS 52 Ca 0.08 1.07 -0.02 0.00 -0.36 0.00 0.00 55.97 56.73 1b64 s LYS 52 Cb -0.00 -3.31 0.31 0.00 -1.51 0.00 0.00 37.83 33.32 1b64 s LYS 52 CO -0.05 0.43 1.62 -0.11 -0.36 0.00 0.00 175.35 176.87 1b64 n LEU 53 N 2.24 6.75 -4.79 5.43 -0.00 -0.46 -3.81 117.00 122.36 1b64 n LEU 53 Ca -0.04 -5.33 -0.38 0.00 -0.00 0.00 0.00 56.01 50.25 1b64 n LEU 53 Cb 0.50 -1.17 -0.06 0.00 -0.00 0.00 0.00 43.42 42.68 1b64 n LEU 53 CO 0.46 1.91 0.24 -1.58 -0.00 0.00 0.00 177.39 178.42 1b64 s GLN 54 N -3.60 4.20 0.16 1.96 0.74 -1.18 -1.51 119.66 120.43 1b64 s GLN 54 Ca 0.36 0.65 -0.11 0.00 0.05 0.00 0.00 55.36 56.30 1b64 s GLN 54 Cb 0.13 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.96 1b64 s GLN 54 CO -0.02 0.51 0.34 0.96 -0.55 0.00 0.00 175.29 176.53 1b64 s ILE 55 N -0.62 0.06 0.01 -2.34 -0.00 -0.84 -1.10 121.20 116.37 1b64 s ILE 55 Ca 0.28 -1.16 0.04 0.00 -0.00 0.00 0.00 60.65 59.81 1b64 s ILE 55 Cb -0.18 -1.68 -0.01 0.00 -0.00 0.00 0.00 42.46 40.58 1b64 s ILE 55 CO 0.16 -0.29 -0.13 -1.58 -0.00 0.00 0.00 174.94 173.10 1b64 s GLN 56 N -3.92 1.01 0.43 0.37 -0.44 -1.24 -0.94 119.66 114.93 1b64 s GLN 56 Ca 0.13 -0.57 0.03 0.00 -2.50 0.00 0.00 55.36 52.45 1b64 s GLN 56 Cb 0.02 -0.99 -0.02 0.00 -1.64 0.00 0.00 33.01 30.38 1b64 s GLN 56 CO -0.03 0.26 0.10 0.00 0.50 0.00 0.00 175.29 176.13 1b64 s VAL 58 N -3.13 -0.14 0.50 0.00 1.01 0.51 -2.32 120.40 116.82 1b64 s VAL 58 Ca 0.20 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 1b64 s VAL 58 Cb 0.02 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.76 1b64 s VAL 58 CO 0.12 -0.33 0.73 0.68 0.00 0.00 0.00 175.10 176.30 1b64 s VAL 59 N 2.18 3.56 -0.43 2.92 -7.23 -0.56 -0.97 120.40 119.88 1b64 s VAL 59 Ca 0.04 -0.49 -0.17 0.00 -1.81 0.00 0.00 61.98 59.55 1b64 s VAL 59 Cb -0.16 -3.34 0.03 0.00 0.56 0.00 0.00 36.38 33.47 1b64 s VAL 59 CO -0.14 -0.25 0.42 -0.70 -0.31 0.00 0.00 175.10 174.12 1b64 s GLU 60 N -4.67 3.06 0.90 4.82 2.12 -1.04 0.98 118.70 124.88 1b64 s GLU 60 Ca 0.52 -0.86 0.00 0.00 0.36 0.00 0.00 54.97 54.99 1b64 s GLU 60 Cb -0.10 -3.99 0.00 0.00 0.26 0.00 0.00 34.13 30.30 1b64 s GLU 60 CO 0.39 -0.87 0.00 -3.47 -0.54 0.00 0.00 175.26 170.77 1b64 n ASP 61 N 5.53 0.00 -0.87 -1.70 2.03 0.42 0.13 116.55 122.08 1b64 n ASP 61 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 1b64 n ASP 61 Cb 0.47 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.86 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 2.39 0.16 0.07 1.67 2.03 -1.26 -4.72 116.55 116.89 1b64 n ASP 62 Ca 0.00 -1.82 -0.20 0.00 0.52 0.00 0.00 54.79 53.29 1b64 n ASP 62 Cb 0.00 -0.12 -0.15 0.00 -0.72 0.00 0.00 41.12 40.13 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 0.30 0.34 -5.49 -0.67 1.63 0.63 -3.45 116.57 109.86 1b64 h LYS 63 Ca -0.15 -0.58 -0.65 0.00 -0.85 0.00 0.00 60.65 58.42 1b64 h LYS 63 Cb 1.48 0.21 -0.21 0.00 -0.60 0.00 0.00 32.23 33.11 1b64 h LYS 63 CO -0.01 1.23 -0.68 0.08 -3.45 0.00 0.00 179.45 176.62 1b64 s VAL 64 N -2.60 3.81 0.24 2.00 1.01 -1.24 -4.97 120.40 118.66 1b64 s VAL 64 Ca -0.12 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1b64 s VAL 64 Cb 0.06 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 1b64 s VAL 64 CO 0.86 0.52 0.01 -0.83 0.00 0.00 0.00 175.10 175.66 1b64 s GLY 65 N 0.08 1.60 -0.35 4.51 0.00 -1.26 -4.46 107.32 107.44 1b64 s GLY 65 Ca -0.01 -1.79 -0.06 0.00 0.00 0.00 0.00 44.72 42.86 1b64 s GLY 65 CO 0.03 -1.66 2.85 2.41 0.00 0.00 0.00 173.10 176.72 1b64 n THR 66 N -0.43 2.64 -0.06 0.90 -1.04 -1.26 -3.81 114.28 111.22 1b64 n THR 66 Ca -0.04 -1.41 -0.12 0.00 -2.04 0.00 0.00 64.05 60.44 1b64 n THR 66 Cb 0.64 -2.03 -0.04 0.00 -1.82 0.00 0.00 70.33 67.09 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 2.95 1.34 -0.04 8.00 5.68 -1.26 -4.31 116.55 128.91 1b64 n ASP 67 Ca 0.41 0.22 -0.15 0.00 -0.50 0.00 0.00 54.79 54.77 1b64 n ASP 67 Cb 0.58 -0.52 -0.07 0.00 -1.14 0.00 0.00 41.12 39.96 1b64 n ASP 67 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 1b64 h MET 68 N -0.58 0.58 -0.87 0.11 4.05 -1.99 -2.61 114.93 113.62 1b64 h MET 68 Ca -0.23 -0.43 0.09 0.00 -0.28 0.00 0.00 59.70 58.85 1b64 h MET 68 Cb 1.02 0.08 -0.07 0.00 -0.80 0.00 0.00 31.60 31.82 1b64 h MET 68 CO -0.14 1.05 0.52 -0.07 0.23 0.00 0.00 176.91 178.50 1b64 h LEU 69 N 0.22 0.77 0.60 3.39 3.38 -1.85 0.26 115.31 122.08 1b64 h LEU 69 Ca -0.02 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1b64 h LEU 69 Cb 1.10 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.75 1b64 h LEU 69 CO 0.10 0.44 -0.29 -0.08 0.09 0.00 0.00 178.44 178.71 1b64 h GLU 70 N 0.88 -0.78 0.00 1.13 4.81 -1.73 1.61 114.58 120.49 1b64 h GLU 70 Ca 0.41 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.70 1b64 h GLU 70 Cb 0.34 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1b64 h GLU 70 CO -0.23 -0.49 0.07 0.39 -0.73 0.00 0.00 179.01 178.02 1b64 n GLU 71 N -5.40 0.11 -0.12 1.92 1.02 -0.91 0.19 120.64 117.44 1b64 n GLU 71 Ca -0.13 0.59 -0.26 0.00 -0.02 0.00 0.00 57.16 57.35 1b64 n GLU 71 Cb 0.34 -1.92 -0.11 0.00 -0.02 0.00 0.00 31.44 29.74 1b64 n GLU 71 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1b64 n GLN 72 N -2.08 0.61 0.01 3.49 1.13 0.03 -3.34 117.38 117.23 1b64 n GLN 72 Ca -0.01 0.30 -0.12 0.00 -1.94 0.00 0.00 57.00 55.23 1b64 n GLN 72 Cb 0.09 -1.56 -0.09 0.00 0.11 0.00 0.00 30.24 28.79 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 -0.76 1.15 0.00 5.09 2.04 0.33 -3.03 117.51 122.33 1b64 h ILE 73 Ca -0.60 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 63.95 1b64 h ILE 73 Cb 1.64 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.65 1b64 h ILE 73 CO -0.30 0.30 0.00 0.35 0.00 0.00 0.00 178.15 178.50 1b64 n THR 74 N -4.86 0.06 0.30 -0.27 -2.24 0.51 -2.72 114.28 105.07 1b64 n THR 74 Ca -0.08 0.01 0.18 0.00 -2.27 0.00 0.00 64.05 61.89 1b64 n THR 74 Cb 0.29 -0.66 0.82 0.00 -2.10 0.00 0.00 70.33 68.68 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 3.36 1.00 -2.82 6.98 0.00 -1.50 -3.35 119.26 122.93 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 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.56 1b64 h ALA 75 CO 0.00 0.00 0.02 -0.06 0.00 0.00 0.00 179.25 179.21 1b64 s PHE 76 N -3.77 3.69 -1.56 0.00 0.08 -1.10 -4.85 117.98 110.47 1b64 s PHE 76 Ca -0.00 -2.04 0.26 0.00 0.12 0.00 0.00 56.93 55.27 1b64 s PHE 76 Cb 0.10 -3.74 1.39 0.00 -0.57 0.00 0.00 43.02 40.20 1b64 s PHE 76 CO 0.48 -0.97 1.90 0.39 -0.10 0.00 0.00 175.22 176.92 1b64 n GLU 77 N 3.99 0.48 -0.54 0.44 1.02 -1.26 -0.18 120.64 124.60 1b64 n GLU 77 Ca 0.11 0.03 0.09 0.00 -0.02 0.00 0.00 57.16 57.37 1b64 n GLU 77 Cb 0.45 -1.50 0.32 0.00 -0.02 0.00 0.00 31.44 30.69 1b64 n GLU 77 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1b64 n ASP 78 N -1.22 4.23 0.00 1.62 9.92 -1.26 -4.46 116.55 125.38 1b64 n ASP 78 Ca 0.14 -2.36 0.00 0.00 -0.53 0.00 0.00 54.79 52.04 1b64 n ASP 78 Cb 0.18 -0.54 0.00 0.00 -0.64 0.00 0.00 41.12 40.12 1b64 n ASP 78 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1b64 n TYR 79 N 1.02 -0.61 -2.90 1.24 4.02 -1.00 -4.91 117.16 114.03 1b64 n TYR 79 Ca 0.23 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.71 1b64 n TYR 79 Cb 0.79 0.24 -0.04 0.00 -0.02 0.00 0.00 39.34 40.30 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 -1.47 4.88 -0.04 -0.72 1.01 0.75 -1.37 120.40 123.43 1b64 s VAL 80 Ca 0.00 1.61 -0.13 0.00 0.00 0.00 0.00 61.98 63.46 1b64 s VAL 80 Cb 0.00 -4.13 -0.32 0.00 0.00 0.00 0.00 36.38 31.94 1b64 s VAL 80 CO 0.00 0.01 0.73 -0.61 0.00 0.00 0.00 175.10 175.24 1b64 h GLN 81 N 7.38 0.41 0.00 2.72 4.15 0.14 -3.42 115.11 126.50 1b64 h GLN 81 Ca -0.28 -0.70 0.00 0.00 0.77 0.00 0.00 58.65 58.43 1b64 h GLN 81 Cb 1.13 0.26 0.00 0.00 0.21 0.00 0.00 27.48 29.08 1b64 h GLN 81 CO 0.84 1.34 0.00 -1.13 -1.93 0.00 0.00 178.83 177.95 1b64 n SER 82 N -3.67 0.00 -4.84 -0.69 3.41 -1.18 -5.01 113.62 101.64 1b64 n SER 82 Ca -0.23 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.06 1b64 n SER 82 Cb 1.06 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.96 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 4.00 0.19 4.33 1.75 -1.26 -3.46 119.30 124.85 1b64 s MET 83 Ca 0.00 0.95 -0.00 0.00 -1.25 0.00 0.00 55.69 55.39 1b64 s MET 83 Cb 0.00 -2.17 0.00 0.00 2.84 0.00 0.00 34.83 35.50 1b64 s MET 83 CO 0.00 -0.19 0.25 -0.25 -0.65 0.00 0.00 175.02 174.17 1b64 n ASP 84 N -1.32 -0.68 -4.68 1.11 8.00 -1.22 -5.01 116.55 112.75 1b64 n ASP 84 Ca 0.06 -2.06 -0.33 0.00 0.71 0.00 0.00 54.79 53.17 1b64 n ASP 84 Cb 0.54 1.30 -0.09 0.00 -0.02 0.00 0.00 41.12 42.85 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 -2.66 4.15 -0.13 2.53 0.11 -1.26 -3.56 120.40 119.59 1b64 s VAL 85 Ca 0.17 -0.53 0.16 0.00 -2.93 0.00 0.00 61.98 58.85 1b64 s VAL 85 Cb -0.00 -2.82 -0.22 0.00 -1.53 0.00 0.00 36.38 31.80 1b64 s VAL 85 CO 0.12 0.43 0.15 0.00 -3.33 0.00 0.00 175.10 172.47 1b64 n ALA 86 N 1.58 1.88 0.00 1.54 0.00 -0.97 -4.80 120.51 119.75 1b64 n ALA 86 Ca -0.15 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.37 1b64 n ALA 86 Cb 0.53 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 -2.48 0.00 -3.26 0.00 0.00 -1.23 -4.97 120.51 108.58 1b64 n ALA 87 Ca -0.21 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.18 1b64 n ALA 87 Cb 0.88 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.29 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 -1.25 0.20 0.00 5.36 -1.26 -3.93 117.98 115.10 1b64 s PHE 88 Ca 0.00 0.41 0.02 0.00 -0.96 0.00 0.00 56.93 56.40 1b64 s PHE 88 Cb 0.00 -0.00 -0.01 0.00 -0.34 0.00 0.00 43.02 42.67 1b64 s PHE 88 CO 0.00 -1.03 0.22 0.09 -1.46 0.00 0.00 175.22 173.03 1b64 n ASN 89 N 5.17 -0.58 -4.80 6.13 3.02 -1.17 -5.08 115.26 117.95 1b64 n ASN 89 Ca 0.04 -2.20 -0.30 0.00 -0.03 0.00 0.00 54.58 52.09 1b64 n ASN 89 Cb 0.51 1.20 0.09 0.00 -0.61 0.00 0.00 39.78 40.97 1b64 n ASN 89 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1b64 s LYS 90 N -2.65 2.11 0.00 3.52 2.20 -1.26 -1.44 119.74 122.22 1b64 s LYS 90 Ca 0.20 0.69 0.16 0.00 -0.36 0.00 0.00 55.97 56.66 1b64 s LYS 90 Cb 0.00 -1.92 0.12 0.00 -1.51 0.00 0.00 37.83 34.53 1b64 s LYS 90 CO 0.15 -1.62 0.99 1.51 -0.36 0.00 0.00 175.35 176.02