#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 3.67 -3.92 4.03 4.77 -1.26 -4.97 117.00 119.32 1b64 n LEU 2 Ca 0.00 1.16 -0.11 0.00 -0.03 0.00 0.00 56.01 57.04 1b64 n LEU 2 Cb 0.00 -1.50 -0.01 0.00 -2.33 0.00 0.00 43.42 39.58 1b64 n LEU 2 CO 0.00 -0.26 0.36 0.54 -1.33 0.00 0.00 177.39 176.70 1b64 s VAL 3 N -0.33 0.00 -0.12 4.08 0.11 -1.26 -5.07 120.40 117.81 1b64 s VAL 3 Ca 0.63 -1.24 -0.02 0.00 -2.93 0.00 0.00 61.98 58.42 1b64 s VAL 3 Cb -0.58 -2.66 0.00 0.00 -1.53 0.00 0.00 36.38 31.62 1b64 s VAL 3 CO 0.53 0.00 0.07 0.00 -3.33 0.00 0.00 175.10 172.37 1b64 n ALA 4 N -0.52 -3.12 -2.45 1.54 0.00 -1.26 -4.66 120.51 110.03 1b64 n ALA 4 Ca -0.04 0.26 -0.26 0.00 0.00 0.00 0.00 53.44 53.40 1b64 n ALA 4 Cb 0.61 -0.68 -0.05 0.00 0.00 0.00 0.00 19.45 19.32 1b64 n ALA 4 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1b64 s LYS 5 N -0.90 2.25 0.18 0.00 -0.14 -1.26 -0.87 119.74 119.00 1b64 s LYS 5 Ca 0.03 -1.94 -0.17 0.00 -1.36 0.00 0.00 55.97 52.53 1b64 s LYS 5 Cb -0.01 -1.98 0.03 0.00 -1.68 0.00 0.00 37.83 34.19 1b64 s LYS 5 CO 0.28 -0.28 0.50 0.45 -0.76 0.00 0.00 175.35 175.54 1b64 s SER 6 N -4.01 -0.27 -0.34 2.83 0.15 0.71 -3.62 113.70 109.16 1b64 s SER 6 Ca 0.35 -0.43 0.03 0.00 0.70 0.00 0.00 55.95 56.60 1b64 s SER 6 Cb 0.02 0.56 0.10 0.00 -1.71 0.00 0.00 66.02 64.98 1b64 s SER 6 CO 0.20 -1.01 0.05 -0.55 1.20 0.00 0.00 173.24 173.13 1b64 s SER 7 N -2.86 4.80 -0.50 5.45 0.15 -1.12 -1.70 113.70 117.92 1b64 s SER 7 Ca 0.08 -2.03 -0.24 0.00 0.70 0.00 0.00 55.95 54.46 1b64 s SER 7 Cb -0.00 -1.65 0.03 0.00 -1.71 0.00 0.00 66.02 62.69 1b64 s SER 7 CO -0.05 -0.38 0.91 -0.63 1.20 0.00 0.00 173.24 174.29 1b64 s ILE 8 N 0.97 4.46 -0.30 6.45 -1.09 -1.25 -4.35 121.20 126.09 1b64 s ILE 8 Ca 0.08 0.46 -0.15 0.00 -2.23 0.00 0.00 60.65 58.80 1b64 s ILE 8 Cb -0.20 -4.46 -0.02 0.00 -1.58 0.00 0.00 42.46 36.19 1b64 s ILE 8 CO -0.07 -0.95 0.38 -0.22 -1.23 0.00 0.00 174.94 172.85 1b64 s LEU 9 N 3.76 4.21 0.08 2.97 2.96 -1.24 -3.48 118.68 127.94 1b64 s LEU 9 Ca 0.32 0.06 0.05 0.00 -0.22 0.00 0.00 54.13 54.34 1b64 s LEU 9 Cb -0.12 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 1b64 s LEU 9 CO 0.22 -0.27 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.21 1b64 s LEU 10 N 2.09 3.41 -0.42 -0.68 1.02 -0.88 -1.69 118.68 121.54 1b64 s LEU 10 Ca 0.14 -0.18 0.02 0.00 0.02 0.00 0.00 54.13 54.13 1b64 s LEU 10 Cb -0.16 -2.13 0.13 0.00 0.02 0.00 0.00 46.19 44.05 1b64 s LEU 10 CO 0.11 0.19 0.21 -0.62 0.02 0.00 0.00 176.35 176.26 1b64 s ASP 11 N -2.19 3.81 0.24 2.29 -1.08 -1.21 -1.71 116.67 116.82 1b64 s ASP 11 Ca 0.24 -2.48 -0.13 0.00 -0.52 0.00 0.00 52.55 49.67 1b64 s ASP 11 Cb -0.12 -1.08 -0.08 0.00 -1.46 0.00 0.00 42.92 40.19 1b64 s ASP 11 CO 0.17 -0.29 0.62 -0.69 0.52 0.00 0.00 175.17 175.50 1b64 s VAL 12 N 0.53 4.81 -0.16 1.11 1.01 0.98 -3.14 120.40 125.53 1b64 s VAL 12 Ca 0.16 0.75 -0.03 0.00 0.00 0.00 0.00 61.98 62.86 1b64 s VAL 12 Cb -0.23 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1b64 s VAL 12 CO -0.04 -0.03 -0.06 -0.75 0.00 0.00 0.00 175.10 174.22 1b64 s LYS 13 N -2.66 3.54 0.34 2.72 2.20 -0.86 -1.00 119.74 124.02 1b64 s LYS 13 Ca 0.47 -0.58 -0.27 0.00 -0.36 0.00 0.00 55.97 55.23 1b64 s LYS 13 Cb -0.12 -2.86 -0.09 0.00 -1.51 0.00 0.00 37.83 33.25 1b64 s LYS 13 CO 0.20 0.15 1.07 -1.25 -0.36 0.00 0.00 175.35 175.16 1b64 s PRO 14 N 0.57 4.41 0.45 4.03 0.04 -1.26 0.19 135.00 143.43 1b64 s PRO 14 Ca -0.04 1.65 0.26 0.00 0.04 0.00 0.00 61.00 62.91 1b64 s PRO 14 Cb -0.15 -2.87 1.29 0.00 0.04 0.00 0.00 34.50 32.82 1b64 s PRO 14 CO 0.03 0.04 1.77 -1.49 0.04 0.00 0.00 177.00 177.39 1b64 h TRP 15 N 3.17 0.41 0.00 0.56 -0.00 0.54 -3.41 115.95 117.22 1b64 h TRP 15 Ca -0.47 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.43 1b64 h TRP 15 Cb 1.21 -0.12 0.00 0.00 -0.00 0.00 0.00 29.16 30.26 1b64 h TRP 15 CO 0.58 0.01 0.00 -0.25 -0.00 0.00 0.00 178.44 178.79 1b64 n ASP 16 N -4.47 0.00 0.28 -3.49 9.92 -1.26 -4.95 116.55 112.57 1b64 n ASP 16 Ca 0.27 0.00 0.16 0.00 -0.53 0.00 0.00 54.79 54.68 1b64 n ASP 16 Cb 1.06 0.00 0.85 0.00 -0.64 0.00 0.00 41.12 42.39 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 0.37 -2.24 3.04 -1.87 0.38 116.42 116.09 1b64 h ASP 17 Ca 0.00 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 53.65 1b64 h ASP 17 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 1b64 h ASP 17 CO 0.00 0.00 -0.60 1.05 -2.04 0.00 0.00 179.24 177.65 1b64 h GLU 18 N 0.00 0.23 -5.98 4.15 4.11 -1.93 -3.42 114.58 111.74 1b64 h GLU 18 Ca 0.00 -0.16 -0.54 0.00 0.07 0.00 0.00 59.36 58.74 1b64 h GLU 18 Cb 0.27 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1b64 h GLU 18 CO 0.00 0.76 1.44 0.99 0.07 0.00 0.00 179.01 182.27 1b64 s THR 19 N -3.77 3.20 -0.34 -1.06 2.01 0.13 -4.85 115.64 110.97 1b64 s THR 19 Ca -0.04 0.18 -0.35 0.00 0.31 0.00 0.00 61.69 61.79 1b64 s THR 19 Cb 0.12 -3.35 -0.12 0.00 0.01 0.00 0.00 72.50 69.16 1b64 s THR 19 CO 0.80 -0.28 2.17 -0.67 -0.69 0.00 0.00 174.62 175.94 1b64 n ASP 20 N 12.52 2.16 0.14 3.53 -0.08 -1.26 -4.79 116.55 128.77 1b64 n ASP 20 Ca 0.28 0.45 -0.01 0.00 -1.51 0.00 0.00 54.79 54.00 1b64 n ASP 20 Cb 0.49 -1.26 0.17 0.00 2.34 0.00 0.00 41.12 42.86 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 12.11 0.00 -0.40 -0.67 2.86 -1.90 -0.79 114.93 126.15 1b64 h MET 21 Ca -0.28 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.22 1b64 h MET 21 Cb 1.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 1b64 h MET 21 CO 1.02 0.61 -0.30 0.00 1.06 0.00 0.00 176.91 179.29 1b64 h ALA 22 N 1.39 0.71 -0.00 6.32 0.00 -1.98 0.22 119.26 125.93 1b64 h ALA 22 Ca -0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1b64 h ALA 22 Cb 1.12 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1b64 h ALA 22 CO 0.08 0.66 -0.01 -0.22 0.00 0.00 0.00 179.25 179.77 1b64 h LYS 23 N 0.74 0.01 -1.01 0.00 1.63 -1.91 0.84 116.57 116.86 1b64 h LYS 23 Ca 0.08 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.94 1b64 h LYS 23 Cb 0.86 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.43 1b64 h LYS 23 CO 0.08 0.66 0.65 1.25 -3.45 0.00 0.00 179.45 178.64 1b64 h LEU 24 N -0.64 1.05 0.40 5.20 6.46 -1.13 1.33 115.31 127.99 1b64 h LEU 24 Ca -0.00 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 1b64 h LEU 24 Cb 0.66 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1b64 h LEU 24 CO 0.00 0.68 -0.19 -0.08 -0.62 0.00 0.00 178.44 178.23 1b64 h GLU 25 N 1.20 -0.52 -0.12 1.25 4.81 -0.54 -2.22 114.58 118.44 1b64 h GLU 25 Ca 0.43 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.74 1b64 h GLU 25 Cb 0.14 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 1b64 h GLU 25 CO -0.17 -0.35 -0.17 0.93 -0.73 0.00 0.00 179.01 178.52 1b64 h GLU 26 N -0.82 -0.21 -0.65 1.92 4.39 -0.68 -1.39 114.58 117.13 1b64 h GLU 26 Ca -0.06 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.74 1b64 h GLU 26 Cb 0.42 0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 29.01 1b64 h GLU 26 CO 0.09 -0.14 -0.51 0.00 -1.16 0.00 0.00 179.01 177.28 1b64 h VAL 28 N -0.22 0.41 0.00 0.00 2.07 -0.79 1.00 116.25 118.72 1b64 h VAL 28 Ca 0.15 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 1b64 h VAL 28 Cb 0.54 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1b64 h VAL 28 CO -0.74 0.01 -0.20 -0.09 0.02 0.00 0.00 177.57 176.57 1b64 h ARG 29 N 0.07 0.00 0.00 1.57 1.12 0.11 -0.65 114.38 116.61 1b64 h ARG 29 Ca 0.34 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.21 1b64 h ARG 29 Cb 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.51 1b64 h ARG 29 CO -0.61 0.20 0.00 -1.13 -3.11 0.00 0.00 179.97 175.32 1b64 n SER 30 N -3.98 0.00 -4.71 -3.80 3.41 0.46 -4.66 113.62 100.34 1b64 n SER 30 Ca -0.02 0.44 -0.42 0.00 -0.26 0.00 0.00 58.87 58.61 1b64 n SER 30 Cb 0.28 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 1b64 n SER 30 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1b64 s ILE 31 N -2.93 3.96 0.13 -1.33 -1.09 -0.25 -5.02 121.20 114.66 1b64 s ILE 31 Ca 0.06 1.39 0.08 0.00 -2.23 0.00 0.00 60.65 59.95 1b64 s ILE 31 Cb 0.07 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 1b64 s ILE 31 CO 0.18 0.08 -0.14 -1.58 -1.23 0.00 0.00 174.94 172.25 1b64 s GLN 32 N 1.35 1.93 -0.22 2.79 0.74 -1.26 -4.98 119.66 120.00 1b64 s GLN 32 Ca 0.59 -1.16 -0.29 0.00 0.05 0.00 0.00 55.36 54.55 1b64 s GLN 32 Cb -0.30 -2.17 0.15 0.00 1.10 0.00 0.00 33.01 31.79 1b64 s GLN 32 CO 0.28 0.48 1.13 0.00 -0.55 0.00 0.00 175.29 176.62 1b64 s ALA 33 N -1.29 -2.01 0.61 1.58 0.00 -1.26 -5.10 121.76 114.29 1b64 s ALA 33 Ca 0.20 1.71 -0.18 0.00 0.00 0.00 0.00 51.96 53.69 1b64 s ALA 33 Cb -0.10 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 1b64 s ALA 33 CO 0.12 -0.26 1.22 0.34 0.00 0.00 0.00 175.76 177.18 1b64 s ASP 34 N -0.79 5.06 -1.23 0.00 2.15 -1.26 -1.99 116.67 118.60 1b64 s ASP 34 Ca 0.02 2.41 0.00 0.00 0.43 0.00 0.00 52.55 55.42 1b64 s ASP 34 Cb -0.02 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1b64 s ASP 34 CO -0.03 -1.69 0.00 0.61 -0.17 0.00 0.00 175.17 173.89 1b64 n GLY 35 N 0.53 1.10 3.79 2.66 0.00 -1.26 -4.70 105.19 107.31 1b64 n GLY 35 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.88 4.08 -0.31 0.99 2.96 -0.84 -2.93 118.68 119.75 1b64 s LEU 36 Ca 0.00 0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 54.20 1b64 s LEU 36 Cb 0.00 -1.99 0.11 0.00 0.50 0.00 0.00 46.19 44.81 1b64 s LEU 36 CO 0.00 0.36 0.14 -0.69 -1.32 0.00 0.00 176.35 174.85 1b64 s VAL 37 N -0.76 0.12 -0.48 1.68 1.01 -1.10 -4.86 120.40 116.01 1b64 s VAL 37 Ca 0.13 -1.07 -0.27 0.00 0.00 0.00 0.00 61.98 60.77 1b64 s VAL 37 Cb -0.12 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1b64 s VAL 37 CO 0.03 -0.78 2.08 0.26 0.00 0.00 0.00 175.10 176.69 1b64 s TRP 38 N 1.80 1.43 -0.00 5.22 0.23 -1.26 -1.74 118.94 124.61 1b64 s TRP 38 Ca 0.11 1.01 -0.03 0.00 -2.03 0.00 0.00 56.10 55.16 1b64 s TRP 38 Cb -0.18 -3.90 -0.02 0.00 0.03 0.00 0.00 33.47 29.40 1b64 s TRP 38 CO -0.27 -2.66 0.56 0.78 0.96 0.00 0.00 176.95 176.31 1b64 h GLY 39 N 16.97 -0.13 0.00 0.98 0.00 -1.83 -3.49 103.07 115.58 1b64 h GLY 39 Ca -0.28 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1b64 h GLY 39 CO 1.14 -0.05 0.00 -1.26 0.00 0.00 0.00 176.54 176.38 1b64 n SER 40 N -2.56 0.00 -4.95 0.19 2.88 -1.17 -5.07 113.62 102.94 1b64 n SER 40 Ca -0.01 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.29 1b64 n SER 40 Cb 0.05 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.49 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 6.33 0.24 -3.46 1.04 -1.26 -2.60 113.70 113.98 1b64 s SER 41 Ca 0.00 0.21 0.09 0.00 0.48 0.00 0.00 55.95 56.73 1b64 s SER 41 Cb 0.00 -1.93 -0.05 0.00 0.10 0.00 0.00 66.02 64.15 1b64 s SER 41 CO 0.00 -0.09 -0.15 -0.54 0.98 0.00 0.00 173.24 173.44 1b64 s LYS 42 N -3.82 1.47 0.21 4.02 1.02 -0.93 -4.93 119.74 116.78 1b64 s LYS 42 Ca 0.36 -1.67 0.11 0.00 0.02 0.00 0.00 55.97 54.79 1b64 s LYS 42 Cb -0.10 -1.34 -0.05 0.00 -0.52 0.00 0.00 37.83 35.82 1b64 s LYS 42 CO 0.30 0.22 -0.23 -0.51 -0.92 0.00 0.00 175.35 174.21 1b64 s LEU 43 N -3.40 2.47 -0.29 3.17 2.01 -1.26 -3.26 118.68 118.12 1b64 s LEU 43 Ca 0.26 -0.89 0.02 0.00 0.01 0.00 0.00 54.13 53.53 1b64 s LEU 43 Cb -0.02 -1.17 0.17 0.00 0.01 0.00 0.00 46.19 45.19 1b64 s LEU 43 CO 0.10 0.11 0.45 -0.69 1.01 0.00 0.00 176.35 177.33 1b64 s VAL 44 N -1.82 -0.72 0.22 -1.59 1.01 -1.26 -4.97 120.40 111.28 1b64 s VAL 44 Ca 0.22 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 1b64 s VAL 44 Cb -0.07 -0.98 -0.08 0.00 0.00 0.00 0.00 36.38 35.24 1b64 s VAL 44 CO 0.11 -0.20 1.10 -2.16 0.00 0.00 0.00 175.10 173.95 1b64 s PRO 45 N 2.62 4.61 0.00 2.72 0.04 -1.26 -0.80 135.00 142.93 1b64 s PRO 45 Ca 0.10 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1b64 s PRO 45 Cb -0.12 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1b64 s PRO 45 CO -0.28 0.13 0.00 0.28 0.04 0.00 0.00 177.00 177.17 1b64 n VAL 46 N 1.87 0.00 0.00 -0.36 0.31 -1.23 -4.95 118.33 113.96 1b64 n VAL 46 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1b64 n VAL 46 Cb 0.45 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 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 2.78 -0.12 0.00 2.92 0.00 -1.26 -5.13 105.19 104.39 1b64 n GLY 47 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.12 -0.10 0.93 1.61 9.36 -1.26 -4.90 117.16 120.68 1b64 n TYR 48 Ca 0.00 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.25 1b64 n TYR 48 Cb 0.00 0.00 0.11 0.00 -0.63 0.00 0.00 39.34 38.82 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 4.30 0.81 3.89 2.98 0.00 -1.26 -4.85 105.19 111.06 1b64 n GLY 49 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.64 4.87 0.20 -0.61 1.09 -1.26 -4.70 121.20 119.16 1b64 s ILE 50 Ca 0.16 -1.13 -0.00 0.00 -1.10 0.00 0.00 60.65 58.58 1b64 s ILE 50 Cb 0.10 -3.61 -0.04 0.00 -1.06 0.00 0.00 42.46 37.85 1b64 s ILE 50 CO 0.08 -0.29 0.10 -0.54 -0.10 0.00 0.00 174.94 174.19 1b64 s LYS 51 N -3.76 1.21 0.17 2.79 1.02 -1.26 -3.58 119.74 116.33 1b64 s LYS 51 Ca 0.33 -1.63 -0.18 0.00 0.02 0.00 0.00 55.97 54.51 1b64 s LYS 51 Cb -0.09 0.05 -0.07 0.00 -0.52 0.00 0.00 37.83 37.20 1b64 s LYS 51 CO 0.27 -0.32 0.64 0.21 -0.92 0.00 0.00 175.35 175.23 1b64 s LYS 52 N -4.08 4.16 -1.09 1.68 2.20 0.02 -4.57 119.74 118.06 1b64 s LYS 52 Ca 0.35 0.72 -0.06 0.00 -0.36 0.00 0.00 55.97 56.62 1b64 s LYS 52 Cb 0.07 -2.98 0.29 0.00 -1.51 0.00 0.00 37.83 33.71 1b64 s LYS 52 CO 0.10 0.48 1.27 -0.11 -0.36 0.00 0.00 175.35 176.72 1b64 n LEU 53 N 0.96 5.87 -4.88 5.43 -0.00 -0.17 -4.01 117.00 120.21 1b64 n LEU 53 Ca -0.05 -5.13 -0.36 0.00 -0.00 0.00 0.00 56.01 50.48 1b64 n LEU 53 Cb 0.51 -1.36 -0.06 0.00 -0.00 0.00 0.00 43.42 42.51 1b64 n LEU 53 CO 0.43 1.52 -0.06 -1.58 -0.00 0.00 0.00 177.39 177.70 1b64 s GLN 54 N -1.99 3.60 0.02 1.96 0.74 -1.20 -0.01 119.66 122.77 1b64 s GLN 54 Ca 0.31 -0.02 -0.12 0.00 0.05 0.00 0.00 55.36 55.59 1b64 s GLN 54 Cb -0.03 -3.12 0.01 0.00 1.10 0.00 0.00 33.01 30.97 1b64 s GLN 54 CO 0.00 0.68 0.24 0.96 -0.55 0.00 0.00 175.29 176.63 1b64 s ILE 55 N -1.21 0.08 -0.01 -2.34 -0.00 -0.70 -2.20 121.20 114.83 1b64 s ILE 55 Ca 0.24 -0.68 0.03 0.00 -0.00 0.00 0.00 60.65 60.24 1b64 s ILE 55 Cb -0.13 -0.74 -0.01 0.00 -0.00 0.00 0.00 42.46 41.58 1b64 s ILE 55 CO 0.13 -0.38 -0.10 -1.58 -0.00 0.00 0.00 174.94 173.01 1b64 s GLN 56 N -1.96 0.85 0.03 0.37 0.74 -1.07 -2.06 119.66 116.55 1b64 s GLN 56 Ca -0.09 -0.36 0.00 0.00 0.05 0.00 0.00 55.36 54.96 1b64 s GLN 56 Cb -0.03 -0.82 -0.00 0.00 1.10 0.00 0.00 33.01 33.26 1b64 s GLN 56 CO -0.00 0.21 0.01 0.00 -0.55 0.00 0.00 175.29 174.96 1b64 n VAL 58 N -0.08 -0.29 -2.59 0.00 0.31 -0.71 -3.93 118.33 111.04 1b64 n VAL 58 Ca -0.01 -2.13 -0.23 0.00 -0.01 0.00 0.00 64.34 61.96 1b64 n VAL 58 Cb 0.05 0.29 0.08 0.00 -0.91 0.00 0.00 33.84 33.36 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 0.27 2.32 0.82 2.52 -7.23 -0.69 -2.71 120.40 115.70 1b64 s VAL 59 Ca 0.32 -0.61 -0.11 0.00 -1.81 0.00 0.00 61.98 59.77 1b64 s VAL 59 Cb 0.14 -2.71 0.11 0.00 0.56 0.00 0.00 36.38 34.49 1b64 s VAL 59 CO -0.17 0.00 1.17 -1.61 -0.31 0.00 0.00 175.10 174.18 1b64 s GLU 60 N -5.01 1.62 0.00 4.82 8.01 -1.15 -0.21 118.70 126.78 1b64 s GLU 60 Ca 0.63 -0.20 0.10 0.00 0.01 0.00 0.00 54.97 55.51 1b64 s GLU 60 Cb -0.07 -2.00 0.35 0.00 -4.31 0.00 0.00 34.13 28.10 1b64 s GLU 60 CO 0.42 -1.74 1.27 -0.40 0.01 0.00 0.00 175.26 174.82 1b64 n ASP 61 N -3.32 1.23 -0.91 -0.19 5.75 -0.04 -3.42 116.55 115.64 1b64 n ASP 61 Ca 0.10 -1.92 -0.01 0.00 -0.01 0.00 0.00 54.79 52.96 1b64 n ASP 61 Cb 0.60 -0.14 -0.02 0.00 -1.03 0.00 0.00 41.12 40.54 1b64 n ASP 61 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1b64 n ASP 62 N 0.14 -0.10 0.00 -1.12 2.03 -1.26 -5.01 116.55 111.22 1b64 n ASP 62 Ca 0.10 -1.76 0.00 0.00 0.52 0.00 0.00 54.79 53.65 1b64 n ASP 62 Cb 0.21 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 1b64 n ASP 62 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1b64 n LYS 63 N 0.12 0.00 -4.21 -0.67 4.01 -1.22 -5.09 118.16 111.10 1b64 n LYS 63 Ca -0.08 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 57.41 1b64 n LYS 63 Cb 0.76 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 35.19 1b64 n LYS 63 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1b64 s VAL 64 N 0.00 3.91 0.00 -0.18 1.01 -1.26 -4.99 120.40 118.90 1b64 s VAL 64 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1b64 s VAL 64 Cb 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1b64 s VAL 64 CO 0.00 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1b64 n GLY 65 N 0.87 0.06 0.01 4.51 0.00 -1.26 -4.66 105.19 104.72 1b64 n GLY 65 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.89 0.00 -0.19 2.61 -1.04 -1.26 -4.93 114.28 108.58 1b64 n THR 66 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1b64 n THR 66 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 1b64 n THR 66 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 1b64 h ASP 67 N 0.00 -1.60 0.70 8.00 2.03 -1.98 1.54 116.42 125.11 1b64 h ASP 67 Ca 0.00 0.25 -0.03 0.00 -0.73 0.00 0.00 57.03 56.52 1b64 h ASP 67 Cb 0.00 0.70 -0.01 0.00 -0.83 0.00 0.00 39.33 39.20 1b64 h ASP 67 CO 0.00 -0.35 -0.49 -0.03 -1.03 0.00 0.00 179.24 177.34 1b64 h MET 68 N -0.27 -1.09 -0.98 4.15 4.05 -1.97 0.54 114.93 119.36 1b64 h MET 68 Ca 0.15 0.07 0.27 0.00 -0.28 0.00 0.00 59.70 59.91 1b64 h MET 68 Cb 0.57 0.25 -0.05 0.00 -0.80 0.00 0.00 31.60 31.56 1b64 h MET 68 CO -0.67 -0.73 0.68 -0.07 0.23 0.00 0.00 176.91 176.36 1b64 h LEU 69 N -1.14 0.15 0.28 3.39 3.38 -1.74 0.23 115.31 119.87 1b64 h LEU 69 Ca -0.09 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1b64 h LEU 69 Cb 0.93 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1b64 h LEU 69 CO 0.05 0.04 -0.14 -0.08 0.09 0.00 0.00 178.44 178.41 1b64 h GLU 70 N 0.14 -0.36 0.00 1.13 4.81 0.32 1.41 114.58 122.03 1b64 h GLU 70 Ca 0.49 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 1b64 h GLU 70 Cb 1.68 0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.15 1b64 h GLU 70 CO -0.09 -0.07 0.12 0.93 -0.73 0.00 0.00 179.01 179.17 1b64 h GLU 71 N -1.00 0.00 0.01 1.92 4.39 0.16 1.44 114.58 121.49 1b64 h GLU 71 Ca -0.04 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.25 1b64 h GLU 71 Cb 0.46 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.04 1b64 h GLU 71 CO 0.06 0.00 -2.46 0.94 -1.16 0.00 0.00 179.01 176.39 1b64 n GLN 72 N -2.47 0.63 0.09 2.33 7.27 0.68 -3.40 117.38 122.51 1b64 n GLN 72 Ca -0.02 0.20 -0.05 0.00 0.07 0.00 0.00 57.00 57.20 1b64 n GLN 72 Cb 0.16 -1.52 -0.02 0.00 2.41 0.00 0.00 30.24 31.26 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 -0.33 0.00 0.00 1.69 2.04 0.31 -3.24 117.51 117.98 1b64 h ILE 73 Ca -0.61 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 64.49 1b64 h ILE 73 Cb 1.81 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1b64 h ILE 73 CO -0.19 0.00 0.00 0.35 0.00 0.00 0.00 178.15 178.31 1b64 n THR 74 N -4.97 0.99 -0.13 -0.27 -2.24 0.48 -2.72 114.28 105.42 1b64 n THR 74 Ca -0.04 0.36 0.27 0.00 -2.27 0.00 0.00 64.05 62.37 1b64 n THR 74 Cb 0.13 -1.28 0.61 0.00 -2.10 0.00 0.00 70.33 67.69 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 2.23 2.71 -1.55 6.98 0.00 -1.50 -3.00 119.26 125.13 1b64 h ALA 75 Ca 0.00 -0.03 -0.74 0.00 0.00 0.00 0.00 54.91 54.14 1b64 h ALA 75 Cb 0.24 0.06 -0.17 0.00 0.00 0.00 0.00 17.79 17.93 1b64 h ALA 75 CO 0.00 -1.35 1.49 1.19 0.00 0.00 0.00 179.25 180.58 1b64 n PHE 76 N -3.54 4.75 0.80 0.00 3.72 -1.10 -4.75 117.46 117.34 1b64 n PHE 76 Ca 0.19 -3.27 0.08 0.00 -0.05 0.00 0.00 57.45 54.39 1b64 n PHE 76 Cb 1.19 -2.19 0.42 0.00 -0.94 0.00 0.00 39.48 37.95 1b64 n PHE 76 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1b64 n GLU 77 N 5.62 0.25 -0.29 -1.08 1.02 -1.13 -0.01 120.64 125.02 1b64 n GLU 77 Ca 0.38 0.12 0.09 0.00 -0.02 0.00 0.00 57.16 57.73 1b64 n GLU 77 Cb 0.42 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 30.59 1b64 n GLU 77 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1b64 n ASP 78 N -1.27 2.98 0.00 1.62 2.03 -1.26 -4.41 116.55 116.23 1b64 n ASP 78 Ca 0.08 -2.02 0.00 0.00 0.52 0.00 0.00 54.79 53.37 1b64 n ASP 78 Cb 0.13 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 1b64 n ASP 78 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1b64 n TYR 79 N 1.08 -0.27 -2.90 -0.67 4.02 -0.56 -4.94 117.16 112.92 1b64 n TYR 79 Ca 0.18 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.66 1b64 n TYR 79 Cb 0.48 0.20 -0.04 0.00 -0.02 0.00 0.00 39.34 39.96 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 -1.40 4.92 -0.03 -0.72 1.01 0.99 0.11 120.40 125.28 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 0.74 -0.61 0.00 0.00 0.00 175.10 175.32 1b64 h GLN 81 N 7.13 0.36 -0.85 2.72 4.15 0.18 -3.42 115.11 125.38 1b64 h GLN 81 Ca -0.33 -0.62 0.23 0.00 0.77 0.00 0.00 58.65 58.69 1b64 h GLN 81 Cb 1.16 0.23 -0.33 0.00 0.21 0.00 0.00 27.48 28.75 1b64 h GLN 81 CO 0.81 1.26 0.76 -1.54 -1.93 0.00 0.00 178.83 178.19 1b64 s SER 82 N -7.21 -0.01 0.15 -0.69 1.04 -1.21 -5.00 113.70 100.76 1b64 s SER 82 Ca -0.14 0.01 0.04 0.00 0.48 0.00 0.00 55.95 56.35 1b64 s SER 82 Cb 0.06 1.00 -0.04 0.00 0.10 0.00 0.00 66.02 67.14 1b64 s SER 82 CO 0.86 -0.00 0.15 -0.32 0.98 0.00 0.00 173.24 174.91 1b64 s MET 83 N 1.16 3.00 0.19 4.02 1.75 -1.26 -2.04 119.30 126.12 1b64 s MET 83 Ca -0.07 -0.79 -0.00 0.00 -1.25 0.00 0.00 55.69 53.59 1b64 s MET 83 Cb -0.02 -2.72 0.00 0.00 2.84 0.00 0.00 34.83 34.93 1b64 s MET 83 CO -0.10 0.51 0.25 -0.25 -0.65 0.00 0.00 175.02 174.77 1b64 n ASP 84 N -0.24 -0.68 -4.52 1.11 9.92 -1.19 -5.02 116.55 115.94 1b64 n ASP 84 Ca -0.08 -2.06 -0.35 0.00 -0.53 0.00 0.00 54.79 51.77 1b64 n ASP 84 Cb 0.54 1.30 -0.12 0.00 -0.64 0.00 0.00 41.12 42.21 1b64 n ASP 84 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1b64 s VAL 85 N -2.66 4.43 -0.12 2.53 1.01 -1.26 -3.34 120.40 121.00 1b64 s VAL 85 Ca 0.17 -0.14 0.15 0.00 0.00 0.00 0.00 61.98 62.16 1b64 s VAL 85 Cb -0.00 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 1b64 s VAL 85 CO 0.12 0.40 1.13 0.00 0.00 0.00 0.00 175.10 176.75 1b64 h ALA 86 N 7.51 0.64 0.00 5.51 0.00 -1.66 -3.47 119.26 127.80 1b64 h ALA 86 Ca -0.37 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1b64 h ALA 86 Cb 1.18 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1b64 h ALA 86 CO 0.62 0.82 0.00 0.00 0.00 0.00 0.00 179.25 180.69 1b64 n ALA 87 N -2.32 0.00 -3.35 0.00 0.00 -1.21 -5.00 120.51 108.62 1b64 n ALA 87 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.17 1b64 n ALA 87 Cb 0.80 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.16 1b64 n ALA 87 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1b64 s PHE 88 N -2.00 0.45 0.30 0.00 0.40 -1.26 -3.64 117.98 112.23 1b64 s PHE 88 Ca 0.00 -1.66 0.03 0.00 -0.60 0.00 0.00 56.93 54.70 1b64 s PHE 88 Cb 0.00 -0.70 -0.06 0.00 0.51 0.00 0.00 43.02 42.77 1b64 s PHE 88 CO 0.00 -0.90 0.05 -0.80 0.70 0.00 0.00 175.22 174.27 1b64 s ASN 89 N 0.70 2.13 0.12 1.36 -0.87 -1.26 -5.09 114.94 112.03 1b64 s ASN 89 Ca 0.25 -1.35 -0.27 0.00 -1.57 0.00 0.00 52.86 49.92 1b64 s ASN 89 Cb -0.08 -0.04 -0.07 0.00 -0.02 0.00 0.00 41.25 41.04 1b64 s ASN 89 CO -0.09 -0.60 0.83 -1.59 -2.57 0.00 0.00 177.10 173.08 1b64 s LYS 90 N -3.90 4.61 0.00 -0.60 0.00 -1.26 -2.80 119.74 115.78 1b64 s LYS 90 Ca 0.35 1.23 0.29 0.00 0.00 0.00 0.00 55.97 57.84 1b64 s LYS 90 Cb 0.08 -3.32 1.24 0.00 0.00 0.00 0.00 37.83 35.83 1b64 s LYS 90 CO 0.14 0.39 1.85 1.51 0.00 0.00 0.00 175.35 179.24