#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1imt h VAL 2 N 0.00 1.40 -0.50 0.00 2.07 -1.97 0.16 116.25 117.41 1imt h VAL 2 Ca 0.00 -1.17 0.08 0.00 0.82 0.00 0.00 66.70 66.43 1imt h VAL 2 Cb 0.00 2.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.90 1imt h VAL 2 CO 0.00 0.30 0.10 -0.29 0.02 0.00 0.00 177.57 177.70 1imt h ILE 3 N -0.50 0.72 -0.20 4.57 6.09 -1.93 0.11 117.51 126.37 1imt h ILE 3 Ca -0.00 -0.08 -0.09 0.00 -1.37 0.00 0.00 64.86 63.32 1imt h ILE 3 Cb 0.50 0.47 -0.00 0.00 0.47 0.00 0.00 36.82 38.25 1imt h ILE 3 CO 0.00 0.04 -0.21 0.71 -3.07 0.00 0.00 178.15 175.63 1imt h THR 4 N 0.23 1.33 -0.86 2.19 1.35 -1.97 -3.05 112.91 112.13 1imt h THR 4 Ca 0.25 -1.37 0.14 0.00 -0.55 0.00 0.00 66.41 64.88 1imt h THR 4 Cb 0.33 1.76 -0.07 0.00 -1.73 0.00 0.00 68.15 68.45 1imt h THR 4 CO -0.33 0.42 0.56 1.23 -0.25 0.00 0.00 175.52 177.15 1imt h GLY 5 N 0.17 1.08 -0.86 5.82 0.00 -0.05 -3.49 103.07 105.76 1imt h GLY 5 Ca 0.03 -0.27 0.10 0.00 0.00 0.00 0.00 47.33 47.18 1imt h GLY 5 CO 0.05 0.09 -0.22 0.00 0.00 0.00 0.00 176.54 176.46 1imt n ALA 6 N -2.45 -0.96 -4.25 3.60 0.00 0.33 -5.07 120.51 111.71 1imt n ALA 6 Ca 0.17 0.17 -0.23 0.00 0.00 0.00 0.00 53.44 53.55 1imt n ALA 6 Cb 0.48 -0.37 -0.07 0.00 0.00 0.00 0.00 19.45 19.49 1imt n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1imt n GLU 8 N -0.64 0.00 -4.26 0.00 1.02 -1.26 -3.72 120.64 111.78 1imt n GLU 8 Ca 0.07 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.07 1imt n GLU 8 Cb 0.61 -0.59 -0.10 0.00 -0.02 0.00 0.00 31.44 31.34 1imt n GLU 8 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1imt s ARG 9 N -1.91 1.10 0.51 3.49 3.00 -1.26 -4.12 118.95 119.76 1imt s ARG 9 Ca 0.00 -1.50 0.27 0.00 0.00 0.00 0.00 55.73 54.50 1imt s ARG 9 Cb 0.00 -0.55 1.37 0.00 0.00 0.00 0.00 34.95 35.77 1imt s ARG 9 CO 0.00 0.01 1.91 -0.44 0.00 0.00 0.00 175.30 176.78 1imt h ASP 10 N 2.72 0.10 -1.15 0.23 5.19 -1.64 -0.50 116.42 121.37 1imt h ASP 10 Ca -0.37 0.01 0.32 0.00 -0.62 0.00 0.00 57.03 56.37 1imt h ASP 10 Cb 1.20 -0.01 -0.07 0.00 0.18 0.00 0.00 39.33 40.62 1imt h ASP 10 CO 0.64 0.04 0.79 0.25 -3.12 0.00 0.00 179.24 177.83 1imt h LEU 11 N 0.10 0.20 -2.31 1.55 5.85 -1.94 0.24 115.31 119.00 1imt h LEU 11 Ca 0.38 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.15 1imt h LEU 11 Cb 1.38 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1imt h LEU 11 CO -0.04 0.02 0.00 0.00 -0.34 0.00 0.00 178.44 178.08 1imt n GLN 12 N -4.40 2.98 0.00 1.25 6.02 -0.19 -4.85 117.38 118.19 1imt n GLN 12 Ca 0.27 -1.91 0.00 0.00 -0.01 0.00 0.00 57.00 55.35 1imt n GLN 12 Cb 1.12 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 30.62 1imt n GLN 12 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1imt s GLY 14 N 0.00 -0.51 -0.32 0.00 0.00 -1.26 -5.07 107.32 100.17 1imt s GLY 14 Ca 0.00 0.77 -0.30 0.00 0.00 0.00 0.00 44.72 45.19 1imt s GLY 14 CO 0.00 0.25 2.26 0.28 0.00 0.00 0.00 173.10 175.89 1imt n LYS 15 N -0.31 1.53 0.00 2.90 4.76 -1.26 -0.39 118.16 125.40 1imt n LYS 15 Ca -0.12 0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 1imt n LYS 15 Cb 0.63 -3.04 0.00 0.00 -1.84 0.00 0.00 35.03 30.78 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 6.03 1.03 3.20 0.72 0.00 -1.26 -5.12 105.19 109.79 1imt n GLY 16 Ca 0.35 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.01 0.03 0.04 2.61 -4.23 0.48 -1.25 115.64 112.31 1imt s THR 17 Ca 0.00 -1.95 -0.01 0.00 -1.18 0.00 0.00 61.69 58.55 1imt s THR 17 Cb 0.00 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 1imt s THR 17 CO 0.00 -0.14 -0.01 0.00 -0.54 0.00 0.00 174.62 173.93 1imt s ALA 20 N 3.21 3.54 0.69 0.00 0.00 -0.45 -4.22 121.76 124.53 1imt s ALA 20 Ca 0.46 -0.29 -0.17 0.00 0.00 0.00 0.00 51.96 51.96 1imt s ALA 20 Cb 0.00 -2.46 0.01 0.00 0.00 0.00 0.00 23.12 20.66 1imt s ALA 20 CO 0.01 0.39 1.14 0.28 0.00 0.00 0.00 175.76 177.58 1imt n VAL 21 N -0.42 3.68 -3.29 0.00 0.31 0.08 0.04 118.33 118.73 1imt n VAL 21 Ca 0.01 -0.41 -0.42 0.00 -0.01 0.00 0.00 64.34 63.51 1imt n VAL 21 Cb 0.53 -1.28 -0.08 0.00 -0.91 0.00 0.00 33.84 32.09 1imt n VAL 21 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1imt s SER 22 N -1.57 6.25 0.59 4.52 0.01 0.16 -4.44 113.70 119.22 1imt s SER 22 Ca 0.78 -0.25 0.29 0.00 1.31 0.00 0.00 55.95 58.08 1imt s SER 22 Cb -0.36 -2.24 1.39 0.00 0.21 0.00 0.00 66.02 65.02 1imt s SER 22 CO 0.46 -0.49 1.79 -0.07 0.41 0.00 0.00 173.24 175.34 1imt h LEU 23 N 9.04 0.00 0.00 2.44 4.07 -1.94 -0.98 115.31 127.93 1imt h LEU 23 Ca -0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.68 1imt h LEU 23 Cb 1.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1imt h LEU 23 CO 0.77 0.00 -0.94 0.79 -1.08 0.00 0.00 178.44 177.98 1imt n TRP 24 N -3.63 0.01 -3.17 1.13 5.03 -1.26 -4.72 117.44 110.82 1imt n TRP 24 Ca 0.11 0.00 0.03 0.00 3.03 0.00 0.00 57.50 60.67 1imt n TRP 24 Cb 0.84 -0.07 -0.00 0.00 -1.03 0.00 0.00 31.31 31.04 1imt n TRP 24 CO 0.00 0.00 0.00 -1.50 -0.03 0.00 0.00 177.69 176.16 1imt s ILE 25 N -3.02 -0.98 0.66 -0.99 2.07 -0.38 -5.03 121.20 113.53 1imt s ILE 25 Ca 0.08 0.00 0.27 0.00 -1.41 0.00 0.00 60.65 59.59 1imt s ILE 25 Cb 0.16 -0.50 0.28 0.00 0.13 0.00 0.00 42.46 42.54 1imt s ILE 25 CO 0.84 0.00 1.83 0.11 -1.91 0.00 0.00 174.94 175.80 1imt h LYS 26 N 7.47 0.00 -0.29 3.50 1.57 -1.83 -0.24 116.57 126.75 1imt h LYS 26 Ca 0.02 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1imt h LYS 26 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1imt h LYS 26 CO 0.12 0.00 -0.18 0.77 -0.57 0.00 0.00 179.45 179.59 1imt h SER 27 N 0.00 0.52 -2.87 0.86 0.02 -1.96 -3.45 113.55 106.67 1imt h SER 27 Ca 0.03 -0.16 -0.64 0.00 -0.84 0.00 0.00 61.79 60.18 1imt h SER 27 Cb 0.86 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.21 1imt h SER 27 CO -0.00 0.72 -0.51 -0.69 -1.14 0.00 0.00 176.83 175.21 1imt s VAL 28 N -4.63 5.32 0.04 2.27 1.01 -0.10 -5.03 120.40 119.27 1imt s VAL 28 Ca -0.07 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1imt s VAL 28 Cb 0.14 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 1imt s VAL 28 CO 0.79 0.28 -0.11 0.00 0.00 0.00 0.00 175.10 176.06 1imt s ARG 29 N -2.06 0.71 0.05 2.72 3.03 -1.24 -0.66 118.95 121.50 1imt s ARG 29 Ca 0.29 -0.72 0.05 0.00 2.03 0.00 0.00 55.73 57.38 1imt s ARG 29 Cb -0.13 -0.64 -0.02 0.00 -1.03 0.00 0.00 34.95 33.13 1imt s ARG 29 CO 0.20 0.15 -0.15 0.14 -1.13 0.00 0.00 175.30 174.52 1imt s VAL 30 N -1.00 1.15 -0.75 4.99 -7.23 0.11 -1.24 120.40 116.43 1imt s VAL 30 Ca -0.03 -1.09 -0.26 0.00 -1.81 0.00 0.00 61.98 58.80 1imt s VAL 30 Cb -0.08 -1.05 -0.07 0.00 0.56 0.00 0.00 36.38 35.74 1imt s VAL 30 CO 0.01 -0.04 2.12 0.00 -0.31 0.00 0.00 175.10 176.88 1imt s THR 32 N 11.42 5.46 0.75 0.00 2.01 0.47 -4.67 115.64 131.08 1imt s THR 32 Ca 0.79 0.28 -0.15 0.00 0.31 0.00 0.00 61.69 62.91 1imt s THR 32 Cb -0.11 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 68.97 1imt s THR 32 CO 0.10 0.61 0.79 -2.65 -0.69 0.00 0.00 174.62 172.78 1imt n PRO 33 N 2.01 0.33 -1.61 4.92 -0.02 -1.26 -0.26 135.00 139.11 1imt n PRO 33 Ca -0.19 0.16 -0.40 0.00 -2.02 0.00 0.00 63.50 61.06 1imt n PRO 33 Cb 0.55 -2.07 0.03 0.00 -0.02 0.00 0.00 33.50 31.99 1imt n PRO 33 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1imt n VAL 34 N -2.64 2.93 -1.98 -1.45 0.24 -0.38 -4.62 118.33 110.43 1imt n VAL 34 Ca 0.11 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.49 1imt n VAL 34 Cb 0.50 -1.14 -0.03 0.00 -1.47 0.00 0.00 33.84 31.70 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 -0.97 1.53 0.47 7.63 0.00 -0.13 -4.64 107.32 111.22 1imt s GLY 35 Ca 0.69 0.97 0.08 0.00 0.00 0.00 0.00 44.72 46.45 1imt s GLY 35 CO 0.53 3.07 0.65 -0.51 0.00 0.00 0.00 173.10 176.84 1imt s THR 36 N 4.07 2.75 -0.41 0.90 -4.23 -1.26 -0.32 115.64 117.13 1imt s THR 36 Ca 0.75 -0.97 -0.43 0.00 -1.18 0.00 0.00 61.69 59.86 1imt s THR 36 Cb -0.34 -2.78 -0.17 0.00 1.34 0.00 0.00 72.50 70.54 1imt s THR 36 CO 0.30 0.00 1.86 -1.20 -0.54 0.00 0.00 174.62 175.04 1imt n SER 37 N -2.00 1.59 0.00 3.99 7.64 -1.26 -0.85 113.62 122.72 1imt n SER 37 Ca 0.10 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1imt n SER 37 Cb 0.60 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 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 5.28 2.11 3.78 0.23 0.00 0.28 -5.04 105.19 111.82 1imt n GLY 38 Ca 0.37 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.90 3.91 0.63 1.61 2.02 -0.03 -4.68 118.70 121.26 1imt s GLU 39 Ca 0.00 1.65 -0.17 0.00 0.02 0.00 0.00 54.97 56.47 1imt s GLU 39 Cb 0.00 -2.44 -0.01 0.00 0.10 0.00 0.00 34.13 31.78 1imt s GLU 39 CO 0.00 -0.39 1.18 -0.51 0.02 0.00 0.00 175.26 175.56 1imt s ASP 40 N -1.47 5.00 0.11 -0.19 1.01 -1.26 -0.83 116.67 119.03 1imt s ASP 40 Ca 0.62 2.29 -0.02 0.00 0.71 0.00 0.00 52.55 56.14 1imt s ASP 40 Cb -0.25 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.06 1imt s ASP 40 CO 0.31 -1.72 0.06 0.00 0.21 0.00 0.00 175.17 174.04 1imt s HIS 42 N -3.99 2.75 0.66 0.00 2.46 -1.26 -3.77 115.29 112.14 1imt s HIS 42 Ca 0.17 -1.17 0.41 0.00 0.47 0.00 0.00 55.06 54.95 1imt s HIS 42 Cb 0.07 -1.87 2.29 0.00 -0.13 0.00 0.00 32.58 32.93 1imt s HIS 42 CO -0.02 -0.54 2.32 -1.00 -2.47 0.00 0.00 174.74 173.03 1imt h PRO 43 N 7.37 0.00 -0.67 2.88 0.13 -1.97 -1.13 132.00 138.62 1imt h PRO 43 Ca -0.34 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.71 1imt h PRO 43 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1imt h PRO 43 CO 0.57 0.00 0.11 0.00 -0.23 0.00 0.00 178.00 178.45 1imt n ALA 44 N -2.11 4.12 -1.64 -0.56 0.00 -1.26 -4.91 120.51 114.15 1imt n ALA 44 Ca -0.03 -2.00 -0.38 0.00 0.00 0.00 0.00 53.44 51.04 1imt n ALA 44 Cb 0.10 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 1imt n ALA 44 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1imt s SER 45 N -0.82 4.72 0.50 0.00 0.01 -0.43 -4.90 113.70 112.78 1imt s SER 45 Ca 0.53 1.12 -0.21 0.00 1.31 0.00 0.00 55.95 58.70 1imt s SER 45 Cb 0.41 -2.51 -0.09 0.00 0.21 0.00 0.00 66.02 64.04 1imt s SER 45 CO 0.14 -2.65 0.79 1.41 0.41 0.00 0.00 173.24 173.34 1imt n HIS 46 N 14.76 0.31 -0.44 2.43 -0.00 -1.26 -4.61 115.22 126.41 1imt n HIS 46 Ca 0.33 0.51 -0.29 0.00 -0.00 0.00 0.00 57.72 58.27 1imt n HIS 46 Cb 0.53 -2.09 0.27 0.00 -0.00 0.00 0.00 29.99 28.69 1imt n HIS 46 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1imt n LYS 47 N -0.09 -2.94 -4.41 -0.41 4.76 -1.26 -4.56 118.16 109.24 1imt n LYS 47 Ca 0.11 -0.84 -0.35 0.00 -2.87 0.00 0.00 58.31 54.37 1imt n LYS 47 Cb 0.43 -2.08 -0.10 0.00 -1.84 0.00 0.00 35.03 31.44 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 -2.33 4.17 -0.06 -0.18 1.01 -1.26 -3.20 121.20 119.34 1imt s ILE 48 Ca 0.67 -0.30 -0.22 0.00 0.00 0.00 0.00 60.65 60.81 1imt s ILE 48 Cb -0.23 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 1imt s ILE 48 CO 0.64 0.59 0.66 -2.16 0.00 0.00 0.00 174.94 174.67 1imt s PRO 49 N -0.70 4.41 -0.72 2.79 0.04 -1.26 -5.13 135.00 134.44 1imt s PRO 49 Ca 0.11 0.80 -0.15 0.00 0.04 0.00 0.00 61.00 61.80 1imt s PRO 49 Cb -0.12 -3.43 0.17 0.00 0.04 0.00 0.00 34.50 31.16 1imt s PRO 49 CO 0.02 0.12 0.70 0.12 0.04 0.00 0.00 177.00 178.00 1imt s PHE 50 N 0.64 3.48 -0.74 0.56 5.36 -1.19 -4.95 117.98 121.14 1imt s PHE 50 Ca 0.35 -1.62 -0.06 0.00 -0.96 0.00 0.00 56.93 54.64 1imt s PHE 50 Cb -0.17 -3.87 -0.11 0.00 -0.34 0.00 0.00 43.02 38.53 1imt s PHE 50 CO 0.17 -1.07 2.51 0.43 -1.46 0.00 0.00 175.22 175.80 1imt n SER 51 N 4.80 5.31 -3.66 6.13 7.64 -1.26 -2.27 113.62 130.30 1imt n SER 51 Ca 0.03 -2.33 -0.10 0.00 1.01 0.00 0.00 58.87 57.49 1imt n SER 51 Cb 0.44 -1.16 -0.03 0.00 -1.01 0.00 0.00 64.21 62.45 1imt n SER 51 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1imt s GLY 52 N 2.75 -0.23 -0.56 0.23 0.00 -1.26 -4.99 107.32 103.26 1imt s GLY 52 Ca 0.49 -0.05 -0.28 0.00 0.00 0.00 0.00 44.72 44.87 1imt s GLY 52 CO -0.03 -0.16 1.18 1.20 0.00 0.00 0.00 173.10 175.29 1imt s GLN 53 N -3.84 3.56 0.57 2.90 -0.21 -1.26 -4.32 119.66 117.06 1imt s GLN 53 Ca 0.07 0.32 -0.20 0.00 0.02 0.00 0.00 55.36 55.56 1imt s GLN 53 Cb -0.01 -3.99 -0.04 0.00 1.00 0.00 0.00 33.01 29.97 1imt s GLN 53 CO -0.06 -1.61 1.30 1.03 -2.12 0.00 0.00 175.29 173.83 1imt s ARG 54 N 4.83 3.01 -0.26 2.91 0.52 -1.26 -4.94 118.95 123.76 1imt s ARG 54 Ca 0.44 2.09 0.11 0.00 -0.52 0.00 0.00 55.73 57.84 1imt s ARG 54 Cb -0.07 -2.11 0.49 0.00 0.52 0.00 0.00 34.95 33.78 1imt s ARG 54 CO 0.27 -1.25 1.41 -1.33 0.02 0.00 0.00 175.30 174.42 1imt n MET 55 N -1.31 1.91 -4.15 3.54 2.81 -1.26 -4.52 117.12 114.14 1imt n MET 55 Ca 0.12 -3.12 -0.15 0.00 -1.81 0.00 0.00 57.70 52.74 1imt n MET 55 Cb 0.47 -1.78 -0.13 0.00 -0.71 0.00 0.00 33.22 31.07 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 -3.17 0.70 -0.82 2.03 3.76 -1.26 -4.97 115.29 111.55 1imt s HIS 56 Ca 0.43 -0.33 0.26 0.00 -0.15 0.00 0.00 55.06 55.27 1imt s HIS 56 Cb 0.39 -0.43 0.80 0.00 1.11 0.00 0.00 32.58 34.45 1imt s HIS 56 CO 0.00 -0.04 1.68 0.72 -0.85 0.00 0.00 174.74 176.26 1imt n HIS 57 N 2.06 0.47 -3.83 1.40 -0.00 -1.26 -0.74 115.22 113.32 1imt n HIS 57 Ca -0.18 0.14 -0.36 0.00 -0.00 0.00 0.00 57.72 57.31 1imt n HIS 57 Cb 0.56 -0.67 -0.06 0.00 -0.00 0.00 0.00 29.99 29.82 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 -3.07 5.43 0.24 1.59 -4.23 -1.26 -4.59 115.64 109.75 1imt s THR 58 Ca 0.11 0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.88 1imt s THR 58 Cb 0.15 -3.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.50 1imt s THR 58 CO 0.62 0.56 0.38 0.00 -0.54 0.00 0.00 174.62 175.64 1imt s PRO 60 N -3.86 3.42 0.55 0.00 0.04 -1.26 -3.98 135.00 129.91 1imt s PRO 60 Ca 0.35 2.20 -0.18 0.00 0.04 0.00 0.00 61.00 63.41 1imt s PRO 60 Cb -0.10 -2.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.99 1imt s PRO 60 CO 0.30 -0.96 1.07 0.00 0.04 0.00 0.00 177.00 177.45 1imt n ALA 62 N -1.58 0.86 -1.52 0.00 0.00 0.56 -4.66 120.51 114.17 1imt n ALA 62 Ca 0.10 0.18 -0.24 0.00 0.00 0.00 0.00 53.44 53.48 1imt n ALA 62 Cb 0.52 -2.21 -0.10 0.00 0.00 0.00 0.00 19.45 17.67 1imt n ALA 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1imt n PRO 63 N -0.31 0.56 0.00 0.00 -0.04 -1.26 -1.36 135.00 132.60 1imt n PRO 63 Ca 0.09 -1.81 0.00 0.00 -0.04 0.00 0.00 63.50 61.74 1imt n PRO 63 Cb 0.42 -3.62 0.00 0.00 -0.04 0.00 0.00 33.50 30.26 1imt n PRO 63 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1imt n ASN 64 N 16.22 0.00 -4.68 3.54 3.02 -1.26 -5.16 115.26 126.93 1imt n ASN 64 Ca 0.43 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.69 1imt n ASN 64 Cb 0.46 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.78 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 0.00 2.27 -0.06 3.41 2.01 -0.46 -4.23 118.68 121.62 1imt s LEU 65 Ca 0.00 1.67 0.02 0.00 0.01 0.00 0.00 54.13 55.83 1imt s LEU 65 Cb 0.00 -4.05 0.02 0.00 0.01 0.00 0.00 46.19 42.16 1imt s LEU 65 CO 0.00 -2.87 -0.11 0.00 1.01 0.00 0.00 176.35 174.38 1imt s ALA 66 N -2.81 1.18 -0.63 4.21 0.00 0.38 -4.90 121.76 119.19 1imt s ALA 66 Ca 0.64 -0.37 -0.27 0.00 0.00 0.00 0.00 51.96 51.96 1imt s ALA 66 Cb -0.20 -0.57 0.03 0.00 0.00 0.00 0.00 23.12 22.39 1imt s ALA 66 CO 0.58 0.06 1.19 0.00 0.00 0.00 0.00 175.76 177.60 1imt s VAL 68 N 5.09 3.97 0.52 0.00 0.11 0.12 -4.90 120.40 125.31 1imt s VAL 68 Ca 0.38 -1.07 -0.21 0.00 -2.93 0.00 0.00 61.98 58.15 1imt s VAL 68 Cb -0.08 -2.91 -0.06 0.00 -1.53 0.00 0.00 36.38 31.80 1imt s VAL 68 CO 0.21 0.08 1.24 -1.10 -3.33 0.00 0.00 175.10 172.19 1imt s GLN 69 N -2.43 3.37 -0.01 1.54 -1.52 -1.26 -0.35 119.66 119.00 1imt s GLN 69 Ca 0.26 1.93 -0.00 0.00 -1.95 0.00 0.00 55.36 55.60 1imt s GLN 69 Cb -0.11 -2.24 -0.00 0.00 -0.22 0.00 0.00 33.01 30.43 1imt s GLN 69 CO 0.18 -0.91 -0.01 0.25 -0.25 0.00 0.00 175.29 174.55 1imt n THR 70 N -0.93 0.05 -3.93 -0.19 -2.24 -0.04 -4.75 114.28 102.25 1imt n THR 70 Ca 0.10 -0.02 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 1imt n THR 70 Cb 0.47 -1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 67.51 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 -4.74 -0.03 -0.32 3.42 0.01 -1.14 -5.02 113.70 105.88 1imt s SER 71 Ca -0.01 -0.92 -0.39 0.00 1.31 0.00 0.00 55.95 55.94 1imt s SER 71 Cb 0.00 0.69 -0.15 0.00 0.21 0.00 0.00 66.02 66.77 1imt s SER 71 CO 0.02 -1.32 1.90 -2.65 0.41 0.00 0.00 173.24 171.60 1imt n PRO 72 N -0.45 1.01 -1.93 12.44 -0.02 -1.26 -0.41 135.00 144.37 1imt n PRO 72 Ca -0.03 0.34 -0.17 0.00 -2.02 0.00 0.00 63.50 61.62 1imt n PRO 72 Cb 0.61 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 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 6.30 -1.26 -4.48 -0.52 4.76 -1.26 -5.01 118.16 116.70 1imt n LYS 73 Ca 0.33 0.94 -0.21 0.00 -2.87 0.00 0.00 58.31 56.50 1imt n LYS 73 Cb 0.13 -5.27 -0.15 0.00 -1.84 0.00 0.00 35.03 27.91 1imt n LYS 73 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1imt s LYS 74 N -4.18 1.01 0.04 1.97 1.02 0.45 -5.10 119.74 114.95 1imt s LYS 74 Ca 0.00 -0.38 -0.01 0.00 0.02 0.00 0.00 55.97 55.60 1imt s LYS 74 Cb 0.00 -0.95 -0.03 0.00 -0.52 0.00 0.00 37.83 36.33 1imt s LYS 74 CO 0.00 0.19 -0.02 -0.06 -0.92 0.00 0.00 175.35 174.53 1imt s PHE 75 N -0.04 0.39 0.03 3.18 0.40 -1.25 -0.86 117.98 119.82 1imt s PHE 75 Ca 0.00 -0.80 0.01 0.00 -0.60 0.00 0.00 56.93 55.54 1imt s PHE 75 Cb -0.07 -0.29 -0.02 0.00 0.51 0.00 0.00 43.02 43.15 1imt s PHE 75 CO 0.00 -0.29 -0.05 0.21 0.70 0.00 0.00 175.22 175.79 1imt s LYS 76 N -2.74 0.39 -0.19 0.44 2.20 0.53 -0.89 119.74 119.47 1imt s LYS 76 Ca -0.04 -0.66 -0.16 0.00 -0.36 0.00 0.00 55.97 54.75 1imt s LYS 76 Cb -0.01 -0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.24 1imt s LYS 76 CO -0.06 -0.01 0.40 0.00 -0.36 0.00 0.00 175.35 175.32 1imt n LEU 78 N 4.37 0.00 -4.23 0.00 4.77 -0.40 -0.56 117.00 120.96 1imt n LEU 78 Ca -0.08 -1.63 -0.29 0.00 -0.03 0.00 0.00 56.01 53.98 1imt n LEU 78 Cb 0.51 0.49 0.28 0.00 -2.33 0.00 0.00 43.42 42.37 1imt n LEU 78 CO 0.40 -0.25 0.32 -1.20 -1.33 0.00 0.00 177.39 175.34 1imt n SER 79 N -1.70 -3.74 0.00 -1.43 7.64 -1.26 -0.47 113.62 112.65 1imt n SER 79 Ca -0.04 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.12 1imt n SER 79 Cb 0.32 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1imt n SER 79 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20