#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 -1.78 0.00 4.03 0.00 -1.26 -5.14 117.00 112.84 1b64 n LEU 2 Ca 0.00 -3.15 -0.14 0.00 0.00 0.00 0.00 56.01 52.72 1b64 n LEU 2 Cb 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 43.42 43.62 1b64 n LEU 2 CO 0.00 1.77 -0.10 0.55 0.00 0.00 0.00 177.39 179.61 1b64 n VAL 3 N -0.52 0.00 -0.81 1.96 3.14 -1.26 -5.02 118.33 115.82 1b64 n VAL 3 Ca -0.07 -1.24 0.00 0.00 -2.96 0.00 0.00 64.34 60.07 1b64 n VAL 3 Cb 0.80 0.38 0.00 0.00 -1.06 0.00 0.00 33.84 33.96 1b64 n VAL 3 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b64 n ALA 4 N -2.05 -1.48 -2.63 1.55 0.00 -1.26 -4.96 120.51 109.68 1b64 n ALA 4 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.06 1b64 n ALA 4 Cb 0.32 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.26 2.01 0.26 0.00 1.02 -1.26 -2.79 119.74 117.71 1b64 s LYS 5 Ca 0.00 -2.13 0.01 0.00 0.02 0.00 0.00 55.97 53.87 1b64 s LYS 5 Cb 0.00 -1.65 -0.05 0.00 -0.52 0.00 0.00 37.83 35.61 1b64 s LYS 5 CO 0.00 -0.09 0.12 0.45 -0.92 0.00 0.00 175.35 174.90 1b64 s SER 6 N -3.74 1.10 -0.06 2.83 0.15 0.46 -3.28 113.70 111.15 1b64 s SER 6 Ca 0.32 -1.42 0.01 0.00 0.70 0.00 0.00 55.95 55.56 1b64 s SER 6 Cb 0.09 0.24 0.02 0.00 -1.71 0.00 0.00 66.02 64.66 1b64 s SER 6 CO 0.16 -0.78 -0.09 -0.55 1.20 0.00 0.00 173.24 173.18 1b64 s SER 7 N -3.30 1.56 -0.22 5.45 0.15 -1.14 -0.01 113.70 116.19 1b64 s SER 7 Ca 0.38 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.79 1b64 s SER 7 Cb 0.07 -0.70 0.03 0.00 -1.71 0.00 0.00 66.02 63.71 1b64 s SER 7 CO 0.14 -0.02 -0.14 -0.63 1.20 0.00 0.00 173.24 173.80 1b64 s ILE 8 N 0.89 2.29 -0.51 6.45 -1.09 -1.14 -3.96 121.20 124.13 1b64 s ILE 8 Ca -0.11 -1.19 -0.21 0.00 -2.23 0.00 0.00 60.65 56.92 1b64 s ILE 8 Cb -0.15 -2.14 0.05 0.00 -1.58 0.00 0.00 42.46 38.64 1b64 s ILE 8 CO 0.01 0.27 0.70 -0.22 -1.23 0.00 0.00 174.94 174.48 1b64 s LEU 9 N 1.24 4.70 0.14 2.97 2.96 -1.22 -3.32 118.68 126.15 1b64 s LEU 9 Ca -0.01 -0.71 -0.11 0.00 -0.22 0.00 0.00 54.13 53.08 1b64 s LEU 9 Cb -0.16 -2.57 -0.06 0.00 0.50 0.00 0.00 46.19 43.89 1b64 s LEU 9 CO -0.08 -0.96 0.49 -0.76 -1.32 0.00 0.00 176.35 173.71 1b64 s LEU 10 N 2.98 4.30 -0.43 -0.68 1.02 -0.89 0.06 118.68 125.03 1b64 s LEU 10 Ca 0.20 0.91 0.03 0.00 0.02 0.00 0.00 54.13 55.28 1b64 s LEU 10 Cb -0.17 -3.27 0.12 0.00 0.02 0.00 0.00 46.19 42.89 1b64 s LEU 10 CO 0.14 0.08 0.18 -0.62 0.02 0.00 0.00 176.35 176.16 1b64 s ASP 11 N -1.94 4.18 0.21 2.29 -1.08 -1.11 -2.22 116.67 117.00 1b64 s ASP 11 Ca 0.39 -2.53 -0.09 0.00 -0.52 0.00 0.00 52.55 49.80 1b64 s ASP 11 Cb -0.14 -1.35 -0.07 0.00 -1.46 0.00 0.00 42.92 39.90 1b64 s ASP 11 CO 0.20 -0.30 0.52 -0.69 0.52 0.00 0.00 175.17 175.42 1b64 s VAL 12 N 0.42 4.97 -0.11 1.11 1.01 -0.82 -3.24 120.40 123.74 1b64 s VAL 12 Ca 0.15 0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.55 1b64 s VAL 12 Cb -0.23 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1b64 s VAL 12 CO -0.05 -0.04 -0.13 -0.75 0.00 0.00 0.00 175.10 174.14 1b64 s LYS 13 N -2.75 3.16 0.41 2.72 2.47 -1.21 -1.66 119.74 122.87 1b64 s LYS 13 Ca 0.46 -0.67 -0.23 0.00 -1.56 0.00 0.00 55.97 53.96 1b64 s LYS 13 Cb -0.11 -2.58 -0.09 0.00 -1.46 0.00 0.00 37.83 33.58 1b64 s LYS 13 CO 0.22 0.34 1.05 -1.25 0.16 0.00 0.00 175.35 175.87 1b64 s PRO 14 N 0.03 4.10 0.56 4.03 0.04 -1.26 0.18 135.00 142.67 1b64 s PRO 14 Ca -0.04 1.50 0.25 0.00 0.04 0.00 0.00 61.00 62.75 1b64 s PRO 14 Cb -0.14 -2.47 1.52 0.00 0.04 0.00 0.00 34.50 33.45 1b64 s PRO 14 CO 0.04 -0.20 2.09 -1.49 0.04 0.00 0.00 177.00 177.48 1b64 h TRP 15 N 2.34 0.00 0.00 0.56 -0.00 -1.25 -3.41 115.95 114.18 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 0.00 0.00 -3.47 -0.00 0.00 0.00 178.44 175.55 1b64 n ASP 16 N -4.09 0.00 0.31 -3.49 2.03 -1.26 -4.93 116.55 105.11 1b64 n ASP 16 Ca 0.03 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.51 1b64 n ASP 16 Cb 0.35 0.00 1.02 0.00 -0.72 0.00 0.00 41.12 41.77 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 -0.56 1.67 3.04 -1.90 -0.33 116.42 118.34 1b64 h ASP 17 Ca 0.00 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.69 1b64 h ASP 17 Cb 0.00 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.27 1b64 h ASP 17 CO 0.00 0.00 -0.03 1.05 -2.04 0.00 0.00 179.24 178.22 1b64 h GLU 18 N 0.00 1.02 -5.64 4.15 4.11 -1.94 -3.40 114.58 112.88 1b64 h GLU 18 Ca 0.00 -0.33 -0.38 0.00 0.07 0.00 0.00 59.36 58.72 1b64 h GLU 18 Cb 0.01 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1b64 h GLU 18 CO -0.00 1.02 1.27 0.99 0.07 0.00 0.00 179.01 182.36 1b64 s THR 19 N -4.97 3.09 0.74 -1.06 2.01 -0.14 -4.89 115.64 110.43 1b64 s THR 19 Ca -0.11 0.02 -0.17 0.00 0.31 0.00 0.00 61.69 61.73 1b64 s THR 19 Cb 0.14 -3.24 -0.13 0.00 0.01 0.00 0.00 72.50 69.28 1b64 s THR 19 CO 0.85 -0.23 -0.31 -0.67 -0.69 0.00 0.00 174.62 173.58 1b64 n ASP 20 N 15.72 -4.28 -0.07 3.53 -0.08 -1.26 -4.85 116.55 125.26 1b64 n ASP 20 Ca 0.36 0.45 -0.10 0.00 -1.51 0.00 0.00 54.79 53.98 1b64 n ASP 20 Cb 0.52 -0.87 -0.07 0.00 2.34 0.00 0.00 41.12 43.04 1b64 n ASP 20 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 1b64 n MET 21 N 1.54 0.66 0.39 -0.67 2.81 -1.26 -4.03 117.12 116.56 1b64 n MET 21 Ca 0.04 0.07 -0.15 0.00 -1.81 0.00 0.00 57.70 55.85 1b64 n MET 21 Cb 0.51 -1.30 -0.07 0.00 -0.71 0.00 0.00 33.22 31.64 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 0.10 -1.19 0.29 3.04 0.00 -1.97 0.64 119.26 120.17 1b64 h ALA 22 Ca -0.34 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1b64 h ALA 22 Cb 1.56 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.71 1b64 h ALA 22 CO -0.04 -1.11 -0.40 0.87 0.00 0.00 0.00 179.25 178.56 1b64 h LYS 23 N -1.07 -0.72 -0.47 0.00 1.79 -1.97 1.74 116.57 115.86 1b64 h LYS 23 Ca -0.10 0.05 0.09 0.00 -2.18 0.00 0.00 60.65 58.51 1b64 h LYS 23 Cb 0.77 0.16 -0.10 0.00 -1.58 0.00 0.00 32.23 31.48 1b64 h LYS 23 CO 0.17 -0.48 -0.27 1.25 -1.08 0.00 0.00 179.45 179.04 1b64 h LEU 24 N -0.75 -0.92 0.75 2.94 6.46 -1.69 1.68 115.31 123.78 1b64 h LEU 24 Ca -0.01 0.19 -0.04 0.00 -0.12 0.00 0.00 57.88 57.90 1b64 h LEU 24 Cb 0.70 0.47 0.01 0.00 -0.73 0.00 0.00 40.66 41.11 1b64 h LEU 24 CO -0.13 -0.28 -0.36 -0.08 -0.62 0.00 0.00 178.44 176.97 1b64 h GLU 25 N -0.17 -0.97 -0.08 1.25 4.81 0.87 -2.57 114.58 117.73 1b64 h GLU 25 Ca 0.21 0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.55 1b64 h GLU 25 Cb 0.51 0.22 -0.06 0.00 0.63 0.00 0.00 28.75 30.04 1b64 h GLU 25 CO -0.57 -0.63 -0.40 0.93 -0.73 0.00 0.00 179.01 177.61 1b64 h GLU 26 N -1.06 -0.49 -0.11 1.92 4.39 0.33 -1.97 114.58 117.60 1b64 h GLU 26 Ca -0.10 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.64 1b64 h GLU 26 Cb 0.78 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 1b64 h GLU 26 CO 0.17 -0.32 -0.06 0.00 -1.16 0.00 0.00 179.01 177.63 1b64 n VAL 28 N -3.16 -0.41 0.06 0.00 0.31 -0.97 0.10 118.33 114.26 1b64 n VAL 28 Ca 0.00 2.09 -0.13 0.00 -0.01 0.00 0.00 64.34 66.30 1b64 n VAL 28 Cb 0.03 -3.13 -0.09 0.00 -0.91 0.00 0.00 33.84 29.74 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 -0.13 -0.93 5.55 2.43 0.27 -3.10 114.38 118.47 1b64 h ARG 29 Ca 0.64 0.01 0.18 0.00 -0.81 0.00 0.00 59.98 60.00 1b64 h ARG 29 Cb 1.42 0.03 -0.17 0.00 -0.42 0.00 0.00 29.97 30.83 1b64 h ARG 29 CO -0.87 0.16 -0.26 0.45 -1.51 0.00 0.00 179.97 177.94 1b64 n SER 30 N -5.01 -0.39 -4.58 -3.80 2.88 0.51 -4.42 113.62 98.81 1b64 n SER 30 Ca -0.08 1.61 -0.64 0.00 -1.33 0.00 0.00 58.87 58.42 1b64 n SER 30 Cb 0.20 -0.46 -0.09 0.00 -0.75 0.00 0.00 64.21 63.10 1b64 n SER 30 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1b64 n ILE 31 N -5.49 0.00 -4.32 2.46 5.41 -0.69 -4.92 119.36 111.80 1b64 n ILE 31 Ca 0.14 0.00 -0.20 0.00 1.00 0.00 0.00 62.75 63.69 1b64 n ILE 31 Cb 0.45 -0.38 -0.13 0.00 -0.71 0.00 0.00 39.64 38.86 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 2.31 0.92 -0.19 0.38 0.74 -1.26 -4.94 119.66 117.62 1b64 s GLN 32 Ca 0.99 -0.80 -0.27 0.00 0.05 0.00 0.00 55.36 55.33 1b64 s GLN 32 Cb -1.41 -0.94 0.08 0.00 1.10 0.00 0.00 33.01 31.84 1b64 s GLN 32 CO 0.75 0.23 0.75 0.00 -0.55 0.00 0.00 175.29 176.47 1b64 s ALA 33 N -0.94 -1.81 0.14 1.58 0.00 -1.26 -5.00 121.76 114.48 1b64 s ALA 33 Ca 0.01 1.75 -0.26 0.00 0.00 0.00 0.00 51.96 53.46 1b64 s ALA 33 Cb -0.08 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 1b64 s ALA 33 CO 0.01 -0.34 1.61 0.22 0.00 0.00 0.00 175.76 177.27 1b64 h ASP 34 N 4.11 -0.98 -0.39 0.00 3.58 -2.04 0.17 116.42 120.86 1b64 h ASP 34 Ca -0.28 0.14 -0.18 0.00 0.42 0.00 0.00 57.03 57.14 1b64 h ASP 34 Cb 1.16 0.42 -0.11 0.00 1.72 0.00 0.00 39.33 42.52 1b64 h ASP 34 CO 0.18 -0.35 0.23 0.61 -2.88 0.00 0.00 179.24 177.03 1b64 n GLY 35 N -1.41 2.89 2.95 -0.78 0.00 -1.26 -4.78 105.19 102.80 1b64 n GLY 35 Ca -0.03 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.33 1.51 -0.01 0.99 2.96 0.58 -4.19 118.68 119.18 1b64 s LEU 36 Ca 0.23 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 54.00 1b64 s LEU 36 Cb 0.19 -0.59 -0.01 0.00 0.50 0.00 0.00 46.19 46.29 1b64 s LEU 36 CO 0.05 -0.01 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.24 1b64 s VAL 37 N 0.72 1.14 -0.34 1.68 1.01 -1.17 -4.16 120.40 119.29 1b64 s VAL 37 Ca -0.12 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 1b64 s VAL 37 Cb -0.14 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.30 1b64 s VAL 37 CO 0.02 0.32 0.17 0.26 0.00 0.00 0.00 175.10 175.87 1b64 s TRP 38 N -0.34 3.21 0.00 5.22 0.23 -1.26 -0.21 118.94 125.79 1b64 s TRP 38 Ca 0.06 -0.84 0.00 0.00 -2.03 0.00 0.00 56.10 53.29 1b64 s TRP 38 Cb -0.06 -2.38 0.00 0.00 0.03 0.00 0.00 33.47 31.06 1b64 s TRP 38 CO -0.01 -0.57 0.13 0.41 0.96 0.00 0.00 176.95 177.87 1b64 n GLY 39 N 4.97 0.50 3.65 0.98 0.00 -1.16 -4.94 105.19 109.20 1b64 n GLY 39 Ca -0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.90 1b64 n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b64 s SER 40 N -1.41 -0.15 0.50 1.61 1.04 -1.22 -5.05 113.70 109.01 1b64 s SER 40 Ca 0.00 0.25 -0.06 0.00 0.48 0.00 0.00 55.95 56.62 1b64 s SER 40 Cb 0.00 0.98 -0.04 0.00 0.10 0.00 0.00 66.02 67.06 1b64 s SER 40 CO 0.00 -0.04 0.81 -0.94 0.98 0.00 0.00 173.24 174.05 1b64 s SER 41 N 1.00 6.26 0.14 7.02 1.04 -1.26 -3.00 113.70 124.89 1b64 s SER 41 Ca -0.07 0.98 0.05 0.00 0.48 0.00 0.00 55.95 57.39 1b64 s SER 41 Cb -0.03 -2.27 -0.04 0.00 0.10 0.00 0.00 66.02 63.78 1b64 s SER 41 CO -0.11 -0.61 -0.11 -0.54 0.98 0.00 0.00 173.24 172.85 1b64 s LYS 42 N -4.78 1.04 0.10 4.02 1.02 -0.79 -4.91 119.74 115.44 1b64 s LYS 42 Ca 0.48 -1.39 0.10 0.00 0.02 0.00 0.00 55.97 55.18 1b64 s LYS 42 Cb -0.10 -0.67 -0.04 0.00 -0.52 0.00 0.00 37.83 36.51 1b64 s LYS 42 CO 0.46 0.09 -0.25 -0.51 -0.92 0.00 0.00 175.35 174.22 1b64 s LEU 43 N -2.98 2.27 -0.27 3.17 2.01 -1.26 -3.29 118.68 118.33 1b64 s LEU 43 Ca 0.14 -0.68 -0.03 0.00 0.01 0.00 0.00 54.13 53.57 1b64 s LEU 43 Cb 0.01 -1.14 0.15 0.00 0.01 0.00 0.00 46.19 45.22 1b64 s LEU 43 CO 0.01 0.17 0.49 -0.69 1.01 0.00 0.00 176.35 177.34 1b64 s VAL 44 N -1.01 -0.79 0.14 -1.59 1.01 -1.26 -4.95 120.40 111.96 1b64 s VAL 44 Ca 0.11 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 1b64 s VAL 44 Cb -0.10 -0.89 -0.07 0.00 0.00 0.00 0.00 36.38 35.32 1b64 s VAL 44 CO 0.04 -0.05 1.13 -2.16 0.00 0.00 0.00 175.10 174.07 1b64 s PRO 45 N 2.70 4.54 0.00 2.72 0.04 -1.26 0.79 135.00 144.53 1b64 s PRO 45 Ca 0.14 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1b64 s PRO 45 Cb -0.15 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1b64 s PRO 45 CO -0.18 -0.03 0.00 1.55 0.04 0.00 0.00 177.00 178.38 1b64 n VAL 46 N 2.81 0.00 -2.03 -0.36 3.14 -1.19 -4.91 118.33 115.80 1b64 n VAL 46 Ca 0.05 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.10 1b64 n VAL 46 Cb 0.46 -0.55 0.01 0.00 -1.06 0.00 0.00 33.84 32.70 1b64 n VAL 46 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1b64 s GLY 47 N -4.54 2.06 0.27 7.55 0.00 -1.18 -4.92 107.32 106.55 1b64 s GLY 47 Ca 0.00 0.33 -0.08 0.00 0.00 0.00 0.00 44.72 44.97 1b64 s GLY 47 CO 0.00 0.64 1.50 2.98 0.00 0.00 0.00 173.10 178.21 1b64 n TYR 48 N -2.12 0.34 -2.05 1.90 9.36 -1.26 -2.26 117.16 121.06 1b64 n TYR 48 Ca 0.08 1.17 0.03 0.00 3.32 0.00 0.00 57.90 62.51 1b64 n TYR 48 Cb 0.53 -1.05 0.04 0.00 -0.63 0.00 0.00 39.34 38.23 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 -1.60 1.62 3.61 2.98 0.00 -1.26 -5.08 105.19 105.46 1b64 n GLY 49 Ca 0.15 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.63 2.84 0.25 -0.61 1.09 -0.96 -4.66 121.20 118.52 1b64 s ILE 50 Ca 0.20 -2.02 0.04 0.00 -1.10 0.00 0.00 60.65 57.77 1b64 s ILE 50 Cb 0.21 -2.73 -0.05 0.00 -1.06 0.00 0.00 42.46 38.83 1b64 s ILE 50 CO -0.07 -0.28 -0.01 -0.54 -0.10 0.00 0.00 174.94 173.94 1b64 s LYS 51 N -3.67 1.40 0.28 2.79 1.02 -1.26 -3.11 119.74 117.19 1b64 s LYS 51 Ca 0.33 -1.72 -0.19 0.00 0.02 0.00 0.00 55.97 54.41 1b64 s LYS 51 Cb -0.03 -0.72 -0.09 0.00 -0.52 0.00 0.00 37.83 36.47 1b64 s LYS 51 CO 0.19 -0.09 0.77 0.21 -0.92 0.00 0.00 175.35 175.51 1b64 s LYS 52 N -3.85 4.21 -0.91 1.68 2.20 0.24 -4.55 119.74 118.76 1b64 s LYS 52 Ca 0.29 0.88 0.01 0.00 -0.36 0.00 0.00 55.97 56.79 1b64 s LYS 52 Cb 0.06 -2.68 0.32 0.00 -1.51 0.00 0.00 37.83 34.02 1b64 s LYS 52 CO 0.10 0.28 1.58 -0.11 -0.36 0.00 0.00 175.35 176.83 1b64 n LEU 53 N 0.27 6.55 -4.78 5.43 -0.00 -0.66 -4.09 117.00 119.72 1b64 n LEU 53 Ca 0.01 -5.46 -0.39 0.00 -0.00 0.00 0.00 56.01 50.17 1b64 n LEU 53 Cb 0.52 -1.01 -0.06 0.00 -0.00 0.00 0.00 43.42 42.87 1b64 n LEU 53 CO 0.42 2.11 0.39 -1.58 -0.00 0.00 0.00 177.39 178.74 1b64 s GLN 54 N -4.03 4.41 -0.03 1.96 0.74 -1.21 -1.94 119.66 119.57 1b64 s GLN 54 Ca 0.41 0.96 -0.10 0.00 0.05 0.00 0.00 55.36 56.68 1b64 s GLN 54 Cb 0.21 -3.29 0.01 0.00 1.10 0.00 0.00 33.01 31.05 1b64 s GLN 54 CO -0.12 0.51 0.22 0.96 -0.55 0.00 0.00 175.29 176.31 1b64 s ILE 55 N -0.80 0.05 -0.01 -2.34 -0.00 -0.94 -1.89 121.20 115.28 1b64 s ILE 55 Ca 0.34 -0.41 0.06 0.00 -0.00 0.00 0.00 60.65 60.64 1b64 s ILE 55 Cb -0.21 -0.46 -0.03 0.00 -0.00 0.00 0.00 42.46 41.77 1b64 s ILE 55 CO 0.22 -0.22 -0.19 -1.58 -0.00 0.00 0.00 174.94 173.17 1b64 s GLN 56 N -0.88 2.21 0.25 0.37 2.00 -1.16 -2.11 119.66 120.34 1b64 s GLN 56 Ca -0.10 -0.88 0.01 0.00 -2.00 0.00 0.00 55.36 52.40 1b64 s GLN 56 Cb -0.05 -2.20 -0.05 0.00 0.80 0.00 0.00 33.01 31.51 1b64 s GLN 56 CO 0.02 0.57 0.09 0.00 -0.50 0.00 0.00 175.29 175.47 1b64 s VAL 58 N -3.77 1.18 0.86 0.00 1.01 0.71 -2.89 120.40 117.49 1b64 s VAL 58 Ca 0.37 -3.12 -0.10 0.00 0.00 0.00 0.00 61.98 59.13 1b64 s VAL 58 Cb 0.08 -1.80 0.16 0.00 0.00 0.00 0.00 36.38 34.82 1b64 s VAL 58 CO 0.13 -1.14 1.19 0.68 0.00 0.00 0.00 175.10 175.96 1b64 s VAL 59 N -0.36 2.07 0.87 2.92 -7.23 0.98 -3.02 120.40 116.62 1b64 s VAL 59 Ca 0.29 -0.21 -0.13 0.00 -1.81 0.00 0.00 61.98 60.12 1b64 s VAL 59 Cb -0.01 -2.86 0.20 0.00 0.56 0.00 0.00 36.38 34.26 1b64 s VAL 59 CO -0.17 0.00 1.18 -0.62 -0.31 0.00 0.00 175.10 175.18 1b64 n GLU 60 N -3.38 -1.04 -0.07 4.82 4.71 -1.10 0.17 120.64 124.75 1b64 n GLU 60 Ca 0.14 -1.97 -0.13 0.00 -0.01 0.00 0.00 57.16 55.19 1b64 n GLU 60 Cb 0.60 -1.17 -0.12 0.00 -1.01 0.00 0.00 31.44 29.74 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 -1.46 0.00 0.00 1.62 3.58 -1.75 -3.35 116.42 115.06 1b64 h ASP 61 Ca -0.38 -0.92 -0.09 0.00 0.42 0.00 0.00 57.03 56.05 1b64 h ASP 61 Cb 1.09 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 41.94 1b64 h ASP 61 CO 0.29 0.98 -0.78 -0.67 -2.88 0.00 0.00 179.24 176.18 1b64 n ASP 62 N -4.62 0.59 -0.05 2.28 2.03 -1.26 -4.79 116.55 110.72 1b64 n ASP 62 Ca -0.10 -2.05 -0.06 0.00 0.52 0.00 0.00 54.79 53.10 1b64 n ASP 62 Cb 0.45 -0.26 -0.07 0.00 -0.72 0.00 0.00 41.12 40.52 1b64 n ASP 62 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1b64 n LYS 63 N 0.22 1.63 -3.72 -0.67 3.00 -1.26 -5.01 118.16 112.36 1b64 n LYS 63 Ca 0.04 0.02 -0.12 0.00 -0.00 0.00 0.00 58.31 58.25 1b64 n LYS 63 Cb 0.93 -1.25 -0.12 0.00 0.00 0.00 0.00 35.03 34.60 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 -2.24 -0.03 0.50 3.15 1.01 -1.26 -4.91 120.40 116.62 1b64 s VAL 64 Ca -0.09 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1b64 s VAL 64 Cb 0.03 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 1b64 s VAL 64 CO 0.35 0.04 0.05 -0.83 0.00 0.00 0.00 175.10 174.71 1b64 s GLY 65 N 1.16 3.01 -0.44 4.51 0.00 -1.26 -2.73 107.32 111.57 1b64 s GLY 65 Ca -0.08 -0.36 -0.06 0.00 0.00 0.00 0.00 44.72 44.22 1b64 s GLY 65 CO -0.09 -2.10 2.91 2.41 0.00 0.00 0.00 173.10 176.22 1b64 n THR 66 N -1.21 2.81 0.00 0.90 -1.04 -1.26 -4.01 114.28 110.47 1b64 n THR 66 Ca -0.17 -1.52 0.00 0.00 -2.04 0.00 0.00 64.05 60.32 1b64 n THR 66 Cb 0.66 -2.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.10 1b64 n THR 66 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1b64 n ASP 67 N 3.01 0.00 -0.35 8.00 5.75 -1.26 -4.32 116.55 127.38 1b64 n ASP 67 Ca 0.45 0.00 0.16 0.00 -0.01 0.00 0.00 54.79 55.39 1b64 n ASP 67 Cb 0.56 -0.16 0.36 0.00 -1.03 0.00 0.00 41.12 40.86 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 0.00 0.63 0.56 0.11 4.05 -1.99 0.10 114.93 118.40 1b64 h MET 68 Ca 0.00 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.35 1b64 h MET 68 Cb 0.00 -0.14 0.01 0.00 -0.80 0.00 0.00 31.60 30.66 1b64 h MET 68 CO 0.00 0.42 -0.27 -0.07 0.23 0.00 0.00 176.91 177.22 1b64 h LEU 69 N 0.65 -0.64 -0.47 3.39 3.38 -1.85 -2.15 115.31 117.63 1b64 h LEU 69 Ca 0.62 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.68 1b64 h LEU 69 Cb 1.10 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.92 1b64 h LEU 69 CO -0.43 -0.44 -0.46 -0.08 0.09 0.00 0.00 178.44 177.12 1b64 h GLU 70 N -0.79 -0.30 -0.09 1.13 4.81 -1.55 2.23 114.58 120.02 1b64 h GLU 70 Ca -0.08 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1b64 h GLU 70 Cb 0.58 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 1b64 h GLU 70 CO 0.13 -0.20 0.55 0.93 -0.73 0.00 0.00 179.01 179.69 1b64 h GLU 71 N -0.31 0.00 0.00 1.92 4.39 -0.82 1.41 114.58 121.17 1b64 h GLU 71 Ca 0.14 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 59.40 1b64 h GLU 71 Cb 0.58 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.16 1b64 h GLU 71 CO -0.62 0.00 -2.41 0.94 -1.16 0.00 0.00 179.01 175.76 1b64 n GLN 72 N -2.89 0.60 0.30 2.33 7.27 0.43 -3.16 117.38 122.27 1b64 n GLN 72 Ca 0.01 0.27 -0.15 0.00 0.07 0.00 0.00 57.00 57.20 1b64 n GLN 72 Cb 0.61 -1.52 -0.08 0.00 2.41 0.00 0.00 30.24 31.66 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 -0.81 0.28 0.00 1.69 1.08 0.50 -2.82 117.51 117.42 1b64 h ILE 73 Ca -0.65 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 63.49 1b64 h ILE 73 Cb 1.65 0.37 0.00 0.00 -3.07 0.00 0.00 36.82 35.77 1b64 h ILE 73 CO -0.34 0.04 0.00 0.71 -0.69 0.00 0.00 178.15 177.86 1b64 h THR 74 N -1.04 0.00 -0.89 -0.27 1.35 0.16 -2.87 112.91 109.35 1b64 h THR 74 Ca -0.08 -0.36 0.26 0.00 -0.55 0.00 0.00 66.41 65.68 1b64 h THR 74 Cb 0.66 1.24 -0.04 0.00 -1.73 0.00 0.00 68.15 68.29 1b64 h THR 74 CO 0.13 0.00 0.81 0.00 -0.25 0.00 0.00 175.52 176.21 1b64 h ALA 75 N 2.11 2.74 -1.96 6.62 0.00 -1.32 -3.26 119.26 124.19 1b64 h ALA 75 Ca 0.00 -0.03 -0.70 0.00 0.00 0.00 0.00 54.91 54.18 1b64 h ALA 75 Cb 0.42 0.07 -0.19 0.00 0.00 0.00 0.00 17.79 18.08 1b64 h ALA 75 CO 0.00 -1.27 0.31 -0.06 0.00 0.00 0.00 179.25 178.23 1b64 s PHE 76 N -4.70 3.05 -1.61 0.00 0.40 -1.09 -4.83 117.98 109.20 1b64 s PHE 76 Ca -0.04 -1.08 0.28 0.00 -0.60 0.00 0.00 56.93 55.48 1b64 s PHE 76 Cb 0.18 -4.09 0.99 0.00 0.51 0.00 0.00 43.02 40.62 1b64 s PHE 76 CO 0.63 -1.36 1.72 -0.85 0.70 0.00 0.00 175.22 176.07 1b64 n GLU 77 N 6.34 0.66 -0.93 0.44 0.28 -1.23 -1.50 120.64 124.70 1b64 n GLU 77 Ca -0.00 -0.30 0.01 0.00 -0.16 0.00 0.00 57.16 56.70 1b64 n GLU 77 Cb 0.45 -1.49 0.34 0.00 1.43 0.00 0.00 31.44 32.17 1b64 n GLU 77 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1b64 n ASP 78 N -0.91 5.17 0.00 -1.84 -0.08 -1.26 -4.44 116.55 113.20 1b64 n ASP 78 Ca 0.13 -3.03 0.00 0.00 -1.51 0.00 0.00 54.79 50.38 1b64 n ASP 78 Cb 0.31 -0.71 0.00 0.00 2.34 0.00 0.00 41.12 43.06 1b64 n ASP 78 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1b64 n TYR 79 N 0.25 -0.77 -2.93 -0.67 4.02 -1.22 -4.96 117.16 110.88 1b64 n TYR 79 Ca 0.33 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.81 1b64 n TYR 79 Cb 1.26 0.21 -0.04 0.00 -0.02 0.00 0.00 39.34 40.74 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 -1.41 4.96 0.02 -0.72 1.01 -0.56 -0.78 120.40 122.92 1b64 s VAL 80 Ca 0.00 1.61 0.04 0.00 0.00 0.00 0.00 61.98 63.63 1b64 s VAL 80 Cb 0.00 -4.12 -0.25 0.00 0.00 0.00 0.00 36.38 32.01 1b64 s VAL 80 CO 0.00 0.15 0.92 -0.61 0.00 0.00 0.00 175.10 175.56 1b64 h GLN 81 N 7.00 0.11 0.00 2.72 4.15 0.17 -3.43 115.11 125.83 1b64 h GLN 81 Ca -0.36 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 58.86 1b64 h GLN 81 Cb 1.17 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1b64 h GLN 81 CO 0.78 0.92 0.00 -1.13 -1.93 0.00 0.00 178.83 177.48 1b64 n SER 82 N -3.32 0.00 -4.85 -0.69 3.41 -1.24 -4.99 113.62 101.94 1b64 n SER 82 Ca -0.12 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.17 1b64 n SER 82 Cb 1.02 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.91 1b64 n SER 82 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1b64 s MET 83 N 0.00 3.98 0.10 4.33 1.75 -1.26 -3.34 119.30 124.86 1b64 s MET 83 Ca 0.00 0.70 -0.01 0.00 -1.25 0.00 0.00 55.69 55.12 1b64 s MET 83 Cb 0.00 -2.38 0.01 0.00 2.84 0.00 0.00 34.83 35.30 1b64 s MET 83 CO 0.00 0.08 0.16 -0.25 -0.65 0.00 0.00 175.02 174.36 1b64 n ASP 84 N -0.64 -0.45 -4.45 1.11 9.92 -1.20 -5.00 116.55 115.83 1b64 n ASP 84 Ca 0.04 -1.51 -0.33 0.00 -0.53 0.00 0.00 54.79 52.45 1b64 n ASP 84 Cb 0.53 0.81 -0.13 0.00 -0.64 0.00 0.00 41.12 41.70 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 -2.60 3.36 -0.09 2.53 1.01 -1.26 -2.76 120.40 120.59 1b64 s VAL 85 Ca 0.07 -0.57 0.15 0.00 0.00 0.00 0.00 61.98 61.63 1b64 s VAL 85 Cb -0.01 -2.40 -0.22 0.00 0.00 0.00 0.00 36.38 33.75 1b64 s VAL 85 CO 0.05 0.54 0.57 0.00 0.00 0.00 0.00 175.10 176.26 1b64 n ALA 86 N 3.09 1.61 -3.62 5.51 0.00 0.11 -4.82 120.51 122.39 1b64 n ALA 86 Ca -0.18 -0.83 -0.05 0.00 0.00 0.00 0.00 53.44 52.38 1b64 n ALA 86 Cb 0.53 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 19.20 1b64 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b64 s ALA 87 N -2.66 -2.07 -0.34 0.00 0.00 -1.18 -4.99 121.76 110.53 1b64 s ALA 87 Ca -0.05 1.80 -0.00 0.00 0.00 0.00 0.00 51.96 53.70 1b64 s ALA 87 Cb 0.08 -1.29 0.11 0.00 0.00 0.00 0.00 23.12 22.01 1b64 s ALA 87 CO 0.83 -0.25 0.13 0.12 0.00 0.00 0.00 175.76 176.58 1b64 s PHE 88 N -0.99 1.75 0.24 0.00 5.36 -1.26 -3.45 117.98 119.64 1b64 s PHE 88 Ca 0.06 -1.88 -0.14 0.00 -0.96 0.00 0.00 56.93 54.00 1b64 s PHE 88 Cb -0.01 -1.74 0.00 0.00 -0.34 0.00 0.00 43.02 40.94 1b64 s PHE 88 CO -0.05 -0.86 0.50 0.54 -1.46 0.00 0.00 175.22 173.89 1b64 s ASN 89 N 1.35 -0.13 0.74 6.13 2.20 -1.25 -5.13 114.94 118.85 1b64 s ASN 89 Ca 0.12 -0.82 -0.11 0.00 -0.94 0.00 0.00 52.86 51.10 1b64 s ASN 89 Cb -0.19 0.59 0.04 0.00 -2.00 0.00 0.00 41.25 39.69 1b64 s ASN 89 CO -0.19 -1.14 1.09 -0.75 -2.94 0.00 0.00 177.10 173.17 1b64 s LYS 90 N -3.98 2.55 0.00 3.55 2.20 -1.26 -2.88 119.74 119.92 1b64 s LYS 90 Ca 0.19 0.61 0.07 0.00 -0.36 0.00 0.00 55.97 56.48 1b64 s LYS 90 Cb -0.01 -1.97 0.06 0.00 -1.51 0.00 0.00 37.83 34.39 1b64 s LYS 90 CO 0.07 -1.29 0.73 1.51 -0.36 0.00 0.00 175.35 176.01