#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1imt n VAL 2 N 0.00 2.73 -1.67 0.00 0.31 -1.26 -4.93 118.33 113.50 1imt n VAL 2 Ca 0.00 -2.50 -0.48 0.00 -0.01 0.00 0.00 64.34 61.34 1imt n VAL 2 Cb 0.00 -2.42 -0.05 0.00 -0.91 0.00 0.00 33.84 30.47 1imt n VAL 2 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1imt n ILE 3 N 5.92 0.32 -4.06 2.52 0.13 -1.26 -4.96 119.36 117.96 1imt n ILE 3 Ca 0.50 -0.06 -0.03 0.00 -1.10 0.00 0.00 62.75 62.06 1imt n ILE 3 Cb 0.41 -1.65 -0.01 0.00 -0.84 0.00 0.00 39.64 37.55 1imt n ILE 3 CO 0.00 0.00 0.00 1.07 2.80 0.00 0.00 176.55 180.42 1imt n THR 4 N 4.33 0.00 0.00 9.51 5.66 -1.26 -4.88 114.28 127.64 1imt n THR 4 Ca 0.21 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1imt n THR 4 Cb 0.28 0.12 0.00 0.00 -1.55 0.00 0.00 70.33 69.18 1imt n THR 4 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1imt n GLY 5 N 1.62 1.64 3.76 1.09 0.00 -1.26 -4.76 105.19 107.28 1imt n GLY 5 Ca -0.01 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1imt n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1imt s ALA 6 N -0.04 3.30 0.07 4.61 0.00 -1.26 -0.69 121.76 127.75 1imt s ALA 6 Ca 0.00 0.80 -0.02 0.00 0.00 0.00 0.00 51.96 52.74 1imt s ALA 6 Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1imt s ALA 6 CO 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 175.76 175.65 1imt n GLU 8 N 0.06 0.60 -4.23 0.00 -0.58 -1.26 -4.24 120.64 110.98 1imt n GLU 8 Ca -0.13 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.44 1imt n GLU 8 Cb 0.62 -0.60 -0.15 0.00 -0.57 0.00 0.00 31.44 30.74 1imt n GLU 8 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1imt s ARG 9 N -1.19 0.56 0.34 3.49 3.00 -1.26 -4.63 118.95 119.25 1imt s ARG 9 Ca 0.00 -0.23 0.11 0.00 0.00 0.00 0.00 55.73 55.62 1imt s ARG 9 Cb 0.00 -0.55 0.93 0.00 0.00 0.00 0.00 34.95 35.33 1imt s ARG 9 CO 0.00 0.13 1.74 -0.44 0.00 0.00 0.00 175.30 176.72 1imt h ASP 10 N 6.08 0.63 -1.00 0.23 3.32 -1.44 -1.63 116.42 122.61 1imt h ASP 10 Ca -0.30 0.13 0.39 0.00 0.02 0.00 0.00 57.03 57.27 1imt h ASP 10 Cb 1.18 0.03 -0.18 0.00 0.22 0.00 0.00 39.33 40.58 1imt h ASP 10 CO 0.50 0.10 0.46 0.25 -1.72 0.00 0.00 179.24 178.83 1imt h LEU 11 N 0.54 0.19 -0.37 1.55 5.85 -1.92 0.25 115.31 121.40 1imt h LEU 11 Ca 0.64 0.26 0.00 0.00 0.84 0.00 0.00 57.88 59.62 1imt h LEU 11 Cb 1.29 0.30 0.00 0.00 0.37 0.00 0.00 40.66 42.62 1imt h LEU 11 CO -0.44 -0.42 0.00 0.00 -0.34 0.00 0.00 178.44 177.24 1imt n GLN 12 N -5.30 1.07 0.03 1.25 10.64 -0.61 -3.99 117.38 120.47 1imt n GLN 12 Ca 0.36 -0.09 0.00 0.00 -1.83 0.00 0.00 57.00 55.44 1imt n GLN 12 Cb 1.20 -1.16 0.00 0.00 -0.86 0.00 0.00 30.24 29.42 1imt n GLN 12 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1imt n GLY 14 N 1.59 0.12 3.34 0.00 0.00 0.56 -4.88 105.19 105.92 1imt n GLY 14 Ca 0.00 -1.91 -0.60 0.00 0.00 0.00 0.00 46.02 43.52 1imt n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1imt n LYS 15 N 0.14 0.17 0.00 1.61 4.76 -1.26 -0.60 118.16 122.97 1imt n LYS 15 Ca 0.00 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1imt n LYS 15 Cb 0.00 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.55 1imt n LYS 15 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1imt n GLY 16 N 6.91 1.78 3.20 0.72 0.00 -1.26 -5.10 105.19 111.44 1imt n GLY 16 Ca 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.40 1imt n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1imt s THR 17 N -1.38 0.00 0.08 2.61 -4.23 0.23 -1.35 115.64 111.60 1imt s THR 17 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1imt s THR 17 Cb 0.00 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 1imt s THR 17 CO 0.00 -0.01 0.01 0.00 -0.54 0.00 0.00 174.62 174.08 1imt s ALA 20 N 2.34 2.63 0.77 0.00 0.00 0.01 -4.50 121.76 123.02 1imt s ALA 20 Ca 0.51 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 52.99 1imt s ALA 20 Cb 0.14 -3.31 0.06 0.00 0.00 0.00 0.00 23.12 20.01 1imt s ALA 20 CO -0.07 -0.94 1.08 0.08 0.00 0.00 0.00 175.76 175.92 1imt s VAL 21 N -2.12 3.36 0.20 0.00 1.01 -0.25 -0.25 120.40 122.36 1imt s VAL 21 Ca 0.69 0.44 -0.11 0.00 0.00 0.00 0.00 61.98 63.00 1imt s VAL 21 Cb -0.21 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 32.98 1imt s VAL 21 CO 0.34 -0.58 0.55 -0.55 0.00 0.00 0.00 175.10 174.86 1imt s SER 22 N -3.74 6.70 0.00 3.32 0.15 0.00 -4.50 113.70 115.63 1imt s SER 22 Ca 0.60 0.98 0.29 0.00 0.70 0.00 0.00 55.95 58.52 1imt s SER 22 Cb -0.15 -2.25 1.21 0.00 -1.71 0.00 0.00 66.02 63.12 1imt s SER 22 CO 0.55 -0.01 1.87 0.18 1.20 0.00 0.00 173.24 177.03 1imt n LEU 23 N 0.20 0.19 -0.13 3.45 4.32 -1.26 -4.20 117.00 119.56 1imt n LEU 23 Ca -0.02 0.25 -0.27 0.00 -0.02 0.00 0.00 56.01 55.96 1imt n LEU 23 Cb 0.52 -0.33 -0.11 0.00 -1.62 0.00 0.00 43.42 41.89 1imt n LEU 23 CO 0.44 0.04 -1.37 0.79 -1.22 0.00 0.00 177.39 176.07 1imt n TRP 24 N -1.30 0.08 -3.70 -1.77 5.03 -1.26 -4.95 117.44 109.57 1imt n TRP 24 Ca 0.11 0.03 -0.13 0.00 3.03 0.00 0.00 57.50 60.54 1imt n TRP 24 Cb 0.30 -1.01 -0.13 0.00 -1.03 0.00 0.00 31.31 29.44 1imt n TRP 24 CO 0.00 0.00 0.00 0.96 -0.03 0.00 0.00 177.69 178.62 1imt s ILE 25 N -2.51 -0.18 0.47 -0.99 -4.36 -1.26 -5.02 121.20 107.35 1imt s ILE 25 Ca -0.37 0.19 0.25 0.00 -0.26 0.00 0.00 60.65 60.46 1imt s ILE 25 Cb 0.13 -0.42 0.44 0.00 1.25 0.00 0.00 42.46 43.86 1imt s ILE 25 CO 0.53 0.08 1.84 0.50 0.24 0.00 0.00 174.94 178.13 1imt h LYS 26 N 7.60 0.21 -1.09 0.37 3.11 -1.93 -0.02 116.57 124.81 1imt h LYS 26 Ca -0.31 -0.01 0.32 0.00 -2.81 0.00 0.00 60.65 57.85 1imt h LYS 26 Cb 1.14 -0.05 -0.12 0.00 -1.00 0.00 0.00 32.23 32.20 1imt h LYS 26 CO 0.28 0.14 0.67 0.77 -2.81 0.00 0.00 179.45 178.50 1imt h SER 27 N 0.21 0.44 -2.65 4.20 0.02 -1.95 -3.41 113.55 110.42 1imt h SER 27 Ca 0.50 0.14 -0.67 0.00 -0.84 0.00 0.00 61.79 60.92 1imt h SER 27 Cb 1.58 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 64.13 1imt h SER 27 CO -0.13 -0.05 -0.48 -0.69 -1.14 0.00 0.00 176.83 174.34 1imt s VAL 28 N -5.53 5.50 0.02 2.27 1.01 -0.02 -5.05 120.40 118.60 1imt s VAL 28 Ca -0.09 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.11 1imt s VAL 28 Cb 0.28 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 1imt s VAL 28 CO 0.80 0.60 -0.06 -0.13 0.00 0.00 0.00 175.10 176.31 1imt s ARG 29 N -1.08 0.47 0.11 2.72 0.52 -1.26 -0.82 118.95 119.62 1imt s ARG 29 Ca 0.16 -0.43 -0.01 0.00 -0.52 0.00 0.00 55.73 54.93 1imt s ARG 29 Cb -0.12 -0.37 -0.04 0.00 0.52 0.00 0.00 34.95 34.94 1imt s ARG 29 CO 0.05 0.09 0.04 0.14 0.02 0.00 0.00 175.30 175.63 1imt s VAL 30 N -0.65 0.13 0.36 3.52 -7.23 0.65 -0.76 120.40 116.41 1imt s VAL 30 Ca -0.03 -1.88 -0.27 0.00 -1.81 0.00 0.00 61.98 57.98 1imt s VAL 30 Cb -0.05 -1.91 -0.09 0.00 0.56 0.00 0.00 36.38 34.88 1imt s VAL 30 CO 0.00 -0.60 1.27 0.00 -0.31 0.00 0.00 175.10 175.46 1imt s THR 32 N -1.22 0.04 0.70 0.00 2.01 0.11 -4.82 115.64 112.46 1imt s THR 32 Ca 0.52 -0.33 -0.13 0.00 0.31 0.00 0.00 61.69 62.06 1imt s THR 32 Cb -0.37 -0.15 0.02 0.00 0.01 0.00 0.00 72.50 72.01 1imt s THR 32 CO 0.48 -0.18 1.10 -2.16 -0.69 0.00 0.00 174.62 173.17 1imt s PRO 33 N -0.54 2.62 0.49 4.92 0.04 -1.26 -0.23 135.00 141.04 1imt s PRO 33 Ca -0.06 1.28 -0.23 0.00 0.04 0.00 0.00 61.00 62.03 1imt s PRO 33 Cb -0.04 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 1imt s PRO 33 CO -0.00 -1.37 1.14 1.33 0.04 0.00 0.00 177.00 178.13 1imt n VAL 34 N -2.86 3.06 -1.79 -0.36 0.24 -0.46 -4.66 118.33 111.50 1imt n VAL 34 Ca 0.10 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.48 1imt n VAL 34 Cb 0.52 -1.37 -0.03 0.00 -1.47 0.00 0.00 33.84 31.49 1imt n VAL 34 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1imt s GLY 35 N -0.84 1.44 0.37 7.63 0.00 0.38 -4.62 107.32 111.68 1imt s GLY 35 Ca 0.67 1.33 0.06 0.00 0.00 0.00 0.00 44.72 46.78 1imt s GLY 35 CO 0.53 3.11 0.51 -0.51 0.00 0.00 0.00 173.10 176.74 1imt s THR 36 N 3.03 3.76 -0.54 0.90 -4.23 -1.26 -0.50 115.64 116.80 1imt s THR 36 Ca 0.79 -0.96 -0.40 0.00 -1.18 0.00 0.00 61.69 59.94 1imt s THR 36 Cb -0.43 -3.30 -0.18 0.00 1.34 0.00 0.00 72.50 69.93 1imt s THR 36 CO 0.35 -0.12 2.10 -1.20 -0.54 0.00 0.00 174.62 175.21 1imt n SER 37 N -1.73 0.64 0.00 3.99 7.64 -1.26 -0.62 113.62 122.28 1imt n SER 37 Ca 0.02 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1imt n SER 37 Cb 0.58 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 1imt n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1imt n GLY 38 N 6.93 3.42 3.76 0.23 0.00 0.31 -5.01 105.19 114.83 1imt n GLY 38 Ca 0.53 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.18 1imt n GLY 38 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1imt s GLU 39 N -0.85 3.28 0.68 1.61 2.02 0.21 -4.57 118.70 121.08 1imt s GLU 39 Ca 0.00 1.93 -0.16 0.00 0.02 0.00 0.00 54.97 56.76 1imt s GLU 39 Cb 0.00 -2.18 0.01 0.00 0.10 0.00 0.00 34.13 32.05 1imt s GLU 39 CO 0.00 -0.98 1.17 -0.51 0.02 0.00 0.00 175.26 174.96 1imt s ASP 40 N -1.32 4.72 0.29 -0.19 1.01 -1.26 -0.57 116.67 119.35 1imt s ASP 40 Ca 0.71 2.25 -0.09 0.00 0.71 0.00 0.00 52.55 56.13 1imt s ASP 40 Cb -0.33 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.03 1imt s ASP 40 CO 0.38 -1.90 0.50 0.00 0.21 0.00 0.00 175.17 174.35 1imt s HIS 42 N -3.52 0.87 0.25 0.00 2.46 -1.26 -3.51 115.29 110.58 1imt s HIS 42 Ca 0.25 -0.25 0.29 0.00 0.47 0.00 0.00 55.06 55.82 1imt s HIS 42 Cb -0.01 -0.70 1.60 0.00 -0.13 0.00 0.00 32.58 33.34 1imt s HIS 42 CO 0.13 -0.17 1.89 -1.00 -2.47 0.00 0.00 174.74 173.12 1imt h PRO 43 N 6.91 0.00 -0.64 2.88 0.13 -1.97 -0.29 132.00 139.03 1imt h PRO 43 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1imt h PRO 43 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1imt h PRO 43 CO 0.48 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.25 1imt n ALA 44 N -1.86 3.39 -1.67 -0.56 0.00 -1.26 -4.77 120.51 113.78 1imt n ALA 44 Ca -0.02 -1.60 -0.37 0.00 0.00 0.00 0.00 53.44 51.45 1imt n ALA 44 Cb 0.14 -1.07 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 1imt n ALA 44 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1imt n SER 45 N 0.84 2.99 -4.43 0.00 7.64 -0.12 -4.93 113.62 115.60 1imt n SER 45 Ca 0.25 -2.71 -0.39 0.00 1.01 0.00 0.00 58.87 57.02 1imt n SER 45 Cb 0.97 -1.45 0.02 0.00 -1.01 0.00 0.00 64.21 62.74 1imt n SER 45 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1imt n HIS 46 N 10.45 -0.92 -0.85 1.43 -0.00 -1.26 -4.05 115.22 120.02 1imt n HIS 46 Ca 0.48 0.49 -0.34 0.00 0.46 0.00 0.00 57.72 58.81 1imt n HIS 46 Cb 0.43 -1.93 0.10 0.00 -0.12 0.00 0.00 29.99 28.47 1imt n HIS 46 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1imt n LYS 47 N 0.38 -0.31 -3.86 1.57 4.76 -1.26 -4.64 118.16 114.80 1imt n LYS 47 Ca 0.11 -0.07 -0.37 0.00 -2.87 0.00 0.00 58.31 55.12 1imt n LYS 47 Cb 0.45 -1.55 -0.06 0.00 -1.84 0.00 0.00 35.03 32.03 1imt n LYS 47 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1imt s ILE 48 N -2.24 5.49 -0.20 -0.18 1.01 -1.26 -3.36 121.20 120.46 1imt s ILE 48 Ca 0.51 0.21 -0.18 0.00 0.00 0.00 0.00 60.65 61.18 1imt s ILE 48 Cb -0.18 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 1imt s ILE 48 CO 0.72 0.59 0.50 -2.16 0.00 0.00 0.00 174.94 174.59 1imt s PRO 49 N -0.80 4.18 -0.20 2.79 0.04 -1.26 -5.06 135.00 134.69 1imt s PRO 49 Ca 0.14 0.38 -0.10 0.00 0.04 0.00 0.00 61.00 61.46 1imt s PRO 49 Cb -0.12 -3.56 -0.05 0.00 0.04 0.00 0.00 34.50 30.81 1imt s PRO 49 CO 0.03 -0.15 0.14 0.12 0.04 0.00 0.00 177.00 177.18 1imt s PHE 50 N 1.63 3.42 -0.99 0.56 5.36 -1.21 -4.93 117.98 121.82 1imt s PHE 50 Ca 0.23 0.35 0.24 0.00 -0.96 0.00 0.00 56.93 56.79 1imt s PHE 50 Cb -0.15 -2.16 0.25 0.00 -0.34 0.00 0.00 43.02 40.61 1imt s PHE 50 CO 0.09 0.30 1.24 -1.13 -1.46 0.00 0.00 175.22 174.26 1imt n SER 51 N 3.49 0.67 -3.98 6.13 3.41 -1.26 -1.07 113.62 121.01 1imt n SER 51 Ca -0.16 -0.49 -0.18 0.00 -0.26 0.00 0.00 58.87 57.78 1imt n SER 51 Cb 0.52 0.51 0.10 0.00 -0.26 0.00 0.00 64.21 65.07 1imt n SER 51 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1imt n GLY 52 N 1.50 0.62 3.60 5.00 0.00 -1.26 -4.66 105.19 109.98 1imt n GLY 52 Ca 0.05 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 1imt n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1imt s GLN 53 N -4.54 3.70 0.56 1.61 -1.52 -1.26 -4.81 119.66 113.41 1imt s GLN 53 Ca 0.52 0.60 0.31 0.00 -1.95 0.00 0.00 55.36 54.83 1imt s GLN 53 Cb -0.03 -3.92 1.67 0.00 -0.22 0.00 0.00 33.01 30.51 1imt s GLN 53 CO 0.35 -1.41 2.15 0.00 -0.25 0.00 0.00 175.29 176.13 1imt h ARG 54 N 9.40 0.00 0.00 2.91 3.08 -1.92 -3.46 114.38 124.39 1imt h ARG 54 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1imt h ARG 54 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1imt h ARG 54 CO 1.13 0.07 0.00 -1.33 -1.07 0.00 0.00 179.97 178.76 1imt n MET 55 N -3.58 0.00 -3.45 0.04 2.81 -1.26 -4.89 117.12 106.78 1imt n MET 55 Ca -0.02 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.66 1imt n MET 55 Cb 0.18 -0.14 -0.00 0.00 -0.71 0.00 0.00 33.22 32.55 1imt n MET 55 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 1imt s HIS 56 N 0.00 3.24 -2.25 2.03 3.76 -1.26 -4.78 115.29 116.03 1imt s HIS 56 Ca 0.00 -0.02 0.26 0.00 -0.15 0.00 0.00 55.06 55.15 1imt s HIS 56 Cb 0.00 -1.97 1.24 0.00 1.11 0.00 0.00 32.58 32.95 1imt s HIS 56 CO 0.00 0.01 1.84 0.72 -0.85 0.00 0.00 174.74 176.46 1imt n HIS 57 N -1.71 0.04 -3.69 1.40 -0.00 -1.26 -1.08 115.22 108.92 1imt n HIS 57 Ca -0.02 -0.02 -0.20 0.00 -0.00 0.00 0.00 57.72 57.48 1imt n HIS 57 Cb 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.55 1imt n HIS 57 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 1imt s THR 58 N -1.96 4.69 0.11 1.59 -4.23 -1.26 -4.68 115.64 109.91 1imt s THR 58 Ca 0.38 -0.95 0.05 0.00 -1.18 0.00 0.00 61.69 59.99 1imt s THR 58 Cb 0.19 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 1imt s THR 58 CO 0.31 -0.26 -0.13 0.00 -0.54 0.00 0.00 174.62 174.00 1imt s PRO 60 N -2.70 1.99 0.54 0.00 0.04 -1.26 -3.96 135.00 129.65 1imt s PRO 60 Ca 0.08 1.76 -0.20 0.00 0.04 0.00 0.00 61.00 62.67 1imt s PRO 60 Cb -0.04 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 1imt s PRO 60 CO 0.02 -1.95 1.19 0.00 0.04 0.00 0.00 177.00 176.30 1imt n ALA 62 N -1.14 0.33 -0.26 0.00 0.00 0.34 -4.69 120.51 115.09 1imt n ALA 62 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.60 1imt n ALA 62 Cb 0.49 -2.14 0.11 0.00 0.00 0.00 0.00 19.45 17.90 1imt n ALA 62 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1imt n PRO 63 N -1.17 -0.07 -0.66 0.00 -0.02 -1.26 -0.59 135.00 131.24 1imt n PRO 63 Ca 0.14 1.14 -0.11 0.00 -2.02 0.00 0.00 63.50 62.64 1imt n PRO 63 Cb 0.47 -1.70 0.05 0.00 -0.02 0.00 0.00 33.50 32.30 1imt n PRO 63 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1imt n ASN 64 N -5.18 4.99 -3.92 2.55 3.02 -1.26 -4.84 115.26 110.62 1imt n ASN 64 Ca 0.12 -2.78 -0.09 0.00 -0.03 0.00 0.00 54.58 51.79 1imt n ASN 64 Cb 0.37 -0.89 -0.07 0.00 -0.61 0.00 0.00 39.78 38.59 1imt n ASN 64 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1imt s LEU 65 N -1.33 0.98 0.02 3.41 1.43 0.24 -4.21 118.68 119.22 1imt s LEU 65 Ca 0.23 -0.79 -0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1imt s LEU 65 Cb 0.18 1.23 -0.02 0.00 0.03 0.00 0.00 46.19 47.62 1imt s LEU 65 CO 0.01 -0.87 -0.02 0.00 0.23 0.00 0.00 176.35 175.70 1imt s ALA 66 N -3.94 0.09 -0.75 4.21 0.00 0.43 -4.67 121.76 117.13 1imt s ALA 66 Ca 0.14 -0.48 -0.26 0.00 0.00 0.00 0.00 51.96 51.37 1imt s ALA 66 Cb 0.03 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.32 1imt s ALA 66 CO -0.03 -0.13 1.22 0.00 0.00 0.00 0.00 175.76 176.82 1imt s VAL 68 N 5.23 4.52 0.38 0.00 1.01 0.09 -4.88 120.40 126.75 1imt s VAL 68 Ca 0.33 -0.61 -0.26 0.00 0.00 0.00 0.00 61.98 61.44 1imt s VAL 68 Cb -0.09 -3.11 -0.09 0.00 0.00 0.00 0.00 36.38 33.09 1imt s VAL 68 CO 0.11 0.25 1.11 0.00 0.00 0.00 0.00 175.10 176.58 1imt s GLN 69 N -2.00 4.21 -0.00 2.72 1.03 -1.26 -0.32 119.66 124.03 1imt s GLN 69 Ca 0.25 1.72 -0.00 0.00 0.04 0.00 0.00 55.36 57.37 1imt s GLN 69 Cb -0.12 -2.73 -0.00 0.00 0.03 0.00 0.00 33.01 30.19 1imt s GLN 69 CO 0.17 -0.15 -0.00 0.25 -2.54 0.00 0.00 175.29 173.01 1imt n THR 70 N 0.24 0.01 -4.03 3.63 -2.24 0.64 -4.83 114.28 107.70 1imt n THR 70 Ca 0.03 -0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.70 1imt n THR 70 Cb 0.47 -0.74 -0.04 0.00 -2.10 0.00 0.00 70.33 67.91 1imt n THR 70 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1imt s SER 71 N -4.26 0.33 -0.28 3.42 0.01 -0.45 -5.02 113.70 107.45 1imt s SER 71 Ca -0.00 -1.20 -0.37 0.00 1.31 0.00 0.00 55.95 55.69 1imt s SER 71 Cb 0.00 0.63 -0.13 0.00 0.21 0.00 0.00 66.02 66.72 1imt s SER 71 CO 0.00 -1.23 1.95 -2.65 0.41 0.00 0.00 173.24 171.73 1imt n PRO 72 N -0.46 1.27 -1.79 12.44 -0.02 -1.26 -0.60 135.00 144.57 1imt n PRO 72 Ca -0.01 0.43 -0.19 0.00 -2.02 0.00 0.00 63.50 61.71 1imt n PRO 72 Cb 0.62 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 1imt n PRO 72 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1imt n LYS 73 N 6.77 -1.35 -3.79 -0.52 5.02 -1.26 -4.97 118.16 118.05 1imt n LYS 73 Ca 0.32 1.08 -0.29 0.00 -2.02 0.00 0.00 58.31 57.40 1imt n LYS 73 Cb 0.19 -5.44 -0.16 0.00 -0.02 0.00 0.00 35.03 29.60 1imt n LYS 73 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1imt s LYS 74 N -4.00 0.93 0.19 1.97 1.02 0.23 -5.05 119.74 115.03 1imt s LYS 74 Ca 0.00 -0.87 0.10 0.00 0.02 0.00 0.00 55.97 55.22 1imt s LYS 74 Cb 0.00 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 35.05 1imt s LYS 74 CO 0.00 -0.78 -0.15 -0.06 -0.92 0.00 0.00 175.35 173.44 1imt s PHE 75 N 1.62 2.51 0.09 3.18 0.40 -1.23 -0.26 117.98 124.28 1imt s PHE 75 Ca 0.03 -0.27 0.03 0.00 -0.60 0.00 0.00 56.93 56.11 1imt s PHE 75 Cb -0.18 -1.23 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 1imt s PHE 75 CO -0.14 0.51 -0.09 0.15 0.70 0.00 0.00 175.22 176.35 1imt s LYS 76 N -2.78 0.79 -0.67 0.44 1.02 0.56 -0.60 119.74 118.49 1imt s LYS 76 Ca 0.23 -1.12 -0.26 0.00 0.02 0.00 0.00 55.97 54.85 1imt s LYS 76 Cb -0.08 -0.43 0.04 0.00 -0.52 0.00 0.00 37.83 36.84 1imt s LYS 76 CO 0.13 0.06 1.15 0.00 -0.92 0.00 0.00 175.35 175.77 1imt s LEU 78 N 4.99 3.54 -0.24 0.00 1.43 0.02 -0.53 118.68 127.89 1imt s LEU 78 Ca 0.32 -0.56 -0.29 0.00 -1.03 0.00 0.00 54.13 52.57 1imt s LEU 78 Cb -0.11 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1imt s LEU 78 CO 0.16 -0.44 1.16 -0.44 0.23 0.00 0.00 176.35 177.02 1imt s SER 79 N -4.03 6.95 0.00 2.29 0.01 -1.26 -0.43 113.70 117.23 1imt s SER 79 Ca 0.43 1.38 0.00 0.00 1.31 0.00 0.00 55.95 59.07 1imt s SER 79 Cb -0.05 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1imt s SER 79 CO 0.27 -0.81 0.00 0.29 0.41 0.00 0.00 173.24 173.40