#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 3.28 -0.24 0.00 0.24 -1.26 -4.65 118.33 115.70 1imt n VAL 2 Ca 0.00 -2.10 0.12 0.00 -2.04 0.00 0.00 64.34 60.32 1imt n VAL 2 Cb 0.00 -2.40 0.40 0.00 -1.47 0.00 0.00 33.84 30.37 1imt n VAL 2 CO 0.00 0.00 0.00 0.16 -2.14 0.00 0.00 176.83 174.85 1imt h ILE 3 N 3.41 0.84 0.00 1.34 3.07 -1.96 0.52 117.51 124.74 1imt h ILE 3 Ca 0.66 -0.22 -0.65 0.00 1.55 0.00 0.00 64.86 66.20 1imt h ILE 3 Cb 0.31 0.14 0.00 0.00 -0.27 0.00 0.00 36.82 37.00 1imt h ILE 3 CO 1.68 0.12 2.92 0.35 -1.05 0.00 0.00 178.15 182.17 1imt n THR 4 N -4.54 2.94 0.00 0.16 -2.24 -1.26 -3.92 114.28 105.43 1imt n THR 4 Ca 0.16 -2.32 0.00 0.00 -2.27 0.00 0.00 64.05 59.63 1imt n THR 4 Cb 0.46 -2.46 0.00 0.00 -2.10 0.00 0.00 70.33 66.23 1imt n THR 4 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1imt n GLY 5 N 4.12 -0.61 3.59 3.38 0.00 -1.06 -5.06 105.19 109.55 1imt n GLY 5 Ca 0.54 0.26 -0.43 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.72 3.27 -0.01 4.61 0.00 0.15 -0.62 121.76 128.45 1imt s ALA 6 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 51.96 51.33 1imt s ALA 6 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1imt s ALA 6 CO 0.00 -1.96 0.06 0.00 0.00 0.00 0.00 175.76 173.86 1imt n GLU 8 N 2.61 0.68 -3.76 0.00 4.71 -1.26 -2.67 120.64 120.95 1imt n GLU 8 Ca -0.15 0.07 -0.13 0.00 -0.01 0.00 0.00 57.16 56.94 1imt n GLU 8 Cb 0.58 -1.55 -0.12 0.00 -1.01 0.00 0.00 31.44 29.34 1imt n GLU 8 CO 0.00 0.00 0.00 -0.98 0.09 0.00 0.00 177.13 176.24 1imt s ARG 9 N -2.51 0.24 0.01 3.49 3.03 -1.26 -4.48 118.95 117.47 1imt s ARG 9 Ca -0.17 0.43 -0.01 0.00 2.03 0.00 0.00 55.73 58.01 1imt s ARG 9 Cb 0.07 0.01 0.00 0.00 -1.03 0.00 0.00 34.95 34.00 1imt s ARG 9 CO 0.76 -0.10 0.06 -0.25 -1.13 0.00 0.00 175.30 174.65 1imt n ASP 10 N 3.58 -0.04 -0.33 -2.89 9.92 -1.20 -1.45 116.55 124.15 1imt n ASP 10 Ca -0.19 0.07 0.27 0.00 -0.53 0.00 0.00 54.79 54.42 1imt n ASP 10 Cb 0.56 -0.01 0.51 0.00 -0.64 0.00 0.00 41.12 41.54 1imt n ASP 10 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1imt n LEU 11 N -4.06 0.23 0.20 0.64 7.94 -1.26 -0.34 117.00 120.35 1imt n LEU 11 Ca 0.00 1.67 0.08 0.00 -1.11 0.00 0.00 56.01 56.65 1imt n LEU 11 Cb 0.01 -0.76 0.61 0.00 0.53 0.00 0.00 43.42 43.81 1imt n LEU 11 CO -0.01 -1.82 1.09 1.56 -1.11 0.00 0.00 177.39 177.11 1imt h GLN 12 N 0.00 0.09 0.00 1.96 4.20 -1.63 -3.34 115.11 116.39 1imt h GLN 12 Ca 0.79 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.49 1imt h GLN 12 Cb 1.98 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.74 1imt h GLN 12 CO -0.81 0.06 -0.22 0.00 -0.67 0.00 0.00 178.83 177.18 1imt n GLY 14 N 2.23 1.08 3.51 0.00 0.00 0.54 -4.90 105.19 107.66 1imt n GLY 14 Ca -0.03 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 0.15 -2.16 1.61 4.76 -1.26 -0.99 118.16 120.27 1imt n LYS 15 Ca 0.00 -0.15 -0.12 0.00 -2.87 0.00 0.00 58.31 55.16 1imt n LYS 15 Cb 0.00 -1.68 -0.02 0.00 -1.84 0.00 0.00 35.03 31.50 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 5.92 -0.06 3.20 0.72 0.00 -1.26 -4.91 105.19 108.80 1imt n GLY 16 Ca 0.63 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.53 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 -2.47 0.02 0.09 2.61 -4.23 -0.16 -2.36 115.64 109.15 1imt s THR 17 Ca 0.00 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.56 1imt s THR 17 Cb 0.00 -2.40 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 1imt s THR 17 CO 0.00 -0.09 0.08 0.00 -0.54 0.00 0.00 174.62 174.07 1imt n ALA 20 N 5.15 0.87 -0.92 0.00 0.00 -0.92 -4.32 120.51 120.37 1imt n ALA 20 Ca -0.08 -2.14 -0.29 0.00 0.00 0.00 0.00 53.44 50.93 1imt n ALA 20 Cb 0.48 0.85 0.23 0.00 0.00 0.00 0.00 19.45 21.02 1imt n ALA 20 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1imt s VAL 21 N -2.65 1.72 0.08 0.00 1.01 -1.26 -0.58 120.40 118.72 1imt s VAL 21 Ca 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 62.17 1imt s VAL 21 Cb -0.03 -2.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.92 1imt s VAL 21 CO 0.21 0.00 0.48 -0.55 0.00 0.00 0.00 175.10 175.25 1imt s SER 22 N -3.46 6.83 0.00 3.32 0.15 0.79 -4.00 113.70 117.34 1imt s SER 22 Ca 0.69 1.03 0.26 0.00 0.70 0.00 0.00 55.95 58.63 1imt s SER 22 Cb -0.15 -2.27 1.21 0.00 -1.71 0.00 0.00 66.02 63.10 1imt s SER 22 CO 0.58 0.21 1.87 0.18 1.20 0.00 0.00 173.24 177.29 1imt n LEU 23 N 1.30 0.00 -0.14 3.45 7.99 -1.26 -3.99 117.00 124.35 1imt n LEU 23 Ca -0.09 0.41 -0.28 0.00 -0.01 0.00 0.00 56.01 56.04 1imt n LEU 23 Cb 0.52 -0.41 -0.10 0.00 -0.11 0.00 0.00 43.42 43.31 1imt n LEU 23 CO 0.41 -0.04 -1.40 0.79 -1.51 0.00 0.00 177.39 175.63 1imt n TRP 24 N -1.41 0.05 -3.74 -1.77 5.03 -1.26 -4.95 117.44 109.38 1imt n TRP 24 Ca 0.09 0.02 -0.14 0.00 3.03 0.00 0.00 57.50 60.50 1imt n TRP 24 Cb 0.27 -1.01 -0.15 0.00 -1.03 0.00 0.00 31.31 29.40 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 -0.08 0.61 -0.99 -4.36 -1.26 -5.01 121.20 107.61 1imt s ILE 25 Ca -0.38 0.21 0.31 0.00 -0.26 0.00 0.00 60.65 60.53 1imt s ILE 25 Cb 0.14 -0.24 0.36 0.00 1.25 0.00 0.00 42.46 43.97 1imt s ILE 25 CO 0.51 0.09 2.06 0.50 0.24 0.00 0.00 174.94 178.34 1imt h LYS 26 N 7.41 0.00 0.00 0.37 3.64 -1.93 -1.05 116.57 125.01 1imt h LYS 26 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1imt h LYS 26 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1imt h LYS 26 CO 0.39 0.00 0.00 0.45 -2.27 0.00 0.00 179.45 178.02 1imt n SER 27 N -3.51 0.21 -4.29 4.20 2.88 -1.26 -4.70 113.62 107.15 1imt n SER 27 Ca 0.01 0.58 -0.16 0.00 -1.33 0.00 0.00 58.87 57.97 1imt n SER 27 Cb 0.36 -0.62 -0.10 0.00 -0.75 0.00 0.00 64.21 63.10 1imt n SER 27 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1imt s VAL 28 N -3.17 1.45 0.03 2.46 0.11 -0.40 -5.07 120.40 115.81 1imt s VAL 28 Ca 0.01 -2.11 0.03 0.00 -2.93 0.00 0.00 61.98 56.98 1imt s VAL 28 Cb 0.04 -1.92 -0.02 0.00 -1.53 0.00 0.00 36.38 32.96 1imt s VAL 28 CO 0.14 -0.65 -0.09 -0.13 -3.33 0.00 0.00 175.10 171.04 1imt s ARG 29 N -3.62 0.63 0.04 1.54 0.52 -1.26 -0.15 118.95 116.65 1imt s ARG 29 Ca 0.19 -0.61 0.01 0.00 -0.52 0.00 0.00 55.73 54.80 1imt s ARG 29 Cb 0.00 -0.53 -0.03 0.00 0.52 0.00 0.00 34.95 34.92 1imt s ARG 29 CO 0.04 0.12 -0.05 0.14 0.02 0.00 0.00 175.30 175.57 1imt s VAL 30 N -0.88 0.37 -0.31 3.52 -7.23 0.26 -1.32 120.40 114.81 1imt s VAL 30 Ca -0.03 -1.26 -0.28 0.00 -1.81 0.00 0.00 61.98 58.60 1imt s VAL 30 Cb -0.07 -0.79 -0.04 0.00 0.56 0.00 0.00 36.38 36.04 1imt s VAL 30 CO 0.01 -0.59 2.09 0.00 -0.31 0.00 0.00 175.10 176.30 1imt s THR 32 N 8.43 5.50 0.59 0.00 2.01 0.79 -4.93 115.64 128.04 1imt s THR 32 Ca 0.92 0.21 -0.18 0.00 0.31 0.00 0.00 61.69 62.95 1imt s THR 32 Cb -0.26 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 1imt s THR 32 CO 0.33 0.61 1.13 -2.16 -0.69 0.00 0.00 174.62 173.84 1imt s PRO 33 N -1.06 3.09 0.47 4.92 0.04 -1.26 -0.47 135.00 140.72 1imt s PRO 33 Ca 0.16 1.56 -0.24 0.00 0.04 0.00 0.00 61.00 62.52 1imt s PRO 33 Cb -0.12 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 1imt s PRO 33 CO 0.05 -1.05 1.29 1.33 0.04 0.00 0.00 177.00 178.66 1imt n VAL 34 N -1.76 2.98 -1.76 -0.36 0.24 -1.00 -4.69 118.33 111.99 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 0.51 -1.60 -0.03 0.00 -1.47 0.00 0.00 33.84 31.25 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 -0.67 1.47 0.53 7.63 0.00 0.51 -4.52 107.32 112.26 1imt s GLY 35 Ca 0.65 1.24 0.09 0.00 0.00 0.00 0.00 44.72 46.70 1imt s GLY 35 CO 0.55 3.33 0.72 -0.51 0.00 0.00 0.00 173.10 177.19 1imt s THR 36 N 4.15 2.43 -0.39 0.90 -4.23 -1.26 -0.37 115.64 116.87 1imt s THR 36 Ca 0.84 -0.99 -0.35 0.00 -1.18 0.00 0.00 61.69 60.01 1imt s THR 36 Cb -0.41 -2.45 -0.15 0.00 1.34 0.00 0.00 72.50 70.84 1imt s THR 36 CO 0.38 0.00 1.65 -1.20 -0.54 0.00 0.00 174.62 174.91 1imt n SER 37 N -2.13 0.63 0.00 3.99 7.64 -1.26 -0.65 113.62 121.83 1imt n SER 37 Ca 0.13 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.58 1imt n SER 37 Cb 0.61 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 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 5.65 2.19 3.78 0.23 0.00 0.43 -4.99 105.19 112.48 1imt n GLY 38 Ca 0.42 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.28 3.61 0.33 1.61 2.02 0.18 -4.58 118.70 121.58 1imt s GLU 39 Ca 0.00 1.61 -0.29 0.00 0.02 0.00 0.00 54.97 56.31 1imt s GLU 39 Cb 0.00 -2.17 -0.11 0.00 0.10 0.00 0.00 34.13 31.95 1imt s GLU 39 CO 0.00 -0.64 1.50 -0.51 0.02 0.00 0.00 175.26 175.63 1imt s ASP 40 N -1.68 6.43 0.31 -0.19 1.11 -1.26 -0.39 116.67 121.01 1imt s ASP 40 Ca 0.68 2.94 0.10 0.00 0.18 0.00 0.00 52.55 56.45 1imt s ASP 40 Cb -0.24 -2.65 -0.06 0.00 1.07 0.00 0.00 42.92 41.05 1imt s ASP 40 CO 0.28 -0.83 -0.11 0.00 1.18 0.00 0.00 175.17 175.69 1imt s HIS 42 N -2.54 3.23 0.62 0.00 2.46 0.37 -4.64 115.29 114.79 1imt s HIS 42 Ca 0.32 -1.24 0.33 0.00 0.47 0.00 0.00 55.06 54.94 1imt s HIS 42 Cb -0.01 -3.77 1.85 0.00 -0.13 0.00 0.00 32.58 30.52 1imt s HIS 42 CO 0.17 -1.03 2.15 -1.00 -2.47 0.00 0.00 174.74 172.56 1imt h PRO 43 N 8.90 0.00 -1.56 2.88 0.13 -1.94 -2.57 132.00 137.83 1imt h PRO 43 Ca -0.30 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.17 1imt h PRO 43 Cb 1.10 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.98 1imt h PRO 43 CO 1.03 0.00 0.85 0.00 -0.23 0.00 0.00 178.00 179.65 1imt n ALA 44 N -2.20 6.31 -1.94 -0.56 0.00 -1.26 -4.89 120.51 115.98 1imt n ALA 44 Ca -0.01 -3.49 -0.24 0.00 0.00 0.00 0.00 53.44 49.70 1imt n ALA 44 Cb 0.25 -1.87 -0.08 0.00 0.00 0.00 0.00 19.45 17.76 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 -1.07 4.59 0.17 0.00 0.01 -0.97 -4.78 113.70 111.65 1imt s SER 45 Ca 0.56 -1.42 -0.22 0.00 1.31 0.00 0.00 55.95 56.18 1imt s SER 45 Cb 0.44 -2.59 0.08 0.00 0.21 0.00 0.00 66.02 64.16 1imt s SER 45 CO -0.20 -3.53 1.60 0.45 0.41 0.00 0.00 173.24 171.97 1imt h HIS 46 N 10.33 -0.89 0.00 2.43 3.86 -1.91 -3.47 115.15 125.51 1imt h HIS 46 Ca 0.15 0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1imt h HIS 46 Cb 0.96 0.46 0.00 0.00 1.06 0.00 0.00 27.41 29.88 1imt h HIS 46 CO 1.16 -0.38 0.00 0.36 0.86 0.00 0.00 177.93 179.93 1imt n LYS 47 N -5.42 -3.06 -5.24 2.45 -0.00 -1.26 -5.13 118.16 100.50 1imt n LYS 47 Ca 0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.02 1imt n LYS 47 Cb 0.34 0.00 -0.17 0.00 -0.00 0.00 0.00 35.03 35.20 1imt n LYS 47 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1imt s ILE 48 N -2.00 2.04 0.19 0.58 -1.09 -1.26 -3.59 121.20 116.07 1imt s ILE 48 Ca 0.00 -1.05 -0.28 0.00 -2.23 0.00 0.00 60.65 57.09 1imt s ILE 48 Cb 0.00 -1.73 -0.08 0.00 -1.58 0.00 0.00 42.46 39.07 1imt s ILE 48 CO 0.00 0.56 0.88 -2.16 -1.23 0.00 0.00 174.94 173.00 1imt s PRO 49 N -0.05 4.73 -0.40 2.79 0.04 -1.26 -5.13 135.00 135.73 1imt s PRO 49 Ca -0.07 1.36 -0.16 0.00 0.04 0.00 0.00 61.00 62.18 1imt s PRO 49 Cb -0.15 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.12 1imt s PRO 49 CO 0.05 0.49 0.34 0.12 0.04 0.00 0.00 177.00 178.04 1imt s PHE 50 N -0.97 3.21 0.00 0.56 5.36 -1.24 -4.80 117.98 120.11 1imt s PHE 50 Ca 0.40 -0.43 -0.03 0.00 -0.96 0.00 0.00 56.93 55.91 1imt s PHE 50 Cb -0.25 -2.69 -0.13 0.00 -0.34 0.00 0.00 43.02 39.62 1imt s PHE 50 CO 0.30 -0.59 2.30 0.43 -1.46 0.00 0.00 175.22 176.19 1imt n SER 51 N 5.32 3.64 -4.00 6.13 7.64 -1.26 -3.25 113.62 127.84 1imt n SER 51 Ca -0.10 -2.12 -0.10 0.00 1.01 0.00 0.00 58.87 57.57 1imt n SER 51 Cb 0.48 -0.92 -0.07 0.00 -1.01 0.00 0.00 64.21 62.69 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 2.22 0.63 -0.55 0.23 0.00 -1.26 -5.02 107.32 103.57 1imt s GLY 52 Ca 0.33 -0.98 -0.28 0.00 0.00 0.00 0.00 44.72 43.79 1imt s GLY 52 CO 0.00 -0.81 1.20 1.20 0.00 0.00 0.00 173.10 174.69 1imt s GLN 53 N -4.01 3.55 -0.89 2.90 -1.52 -1.26 -4.56 119.66 113.87 1imt s GLN 53 Ca 0.22 0.36 -0.25 0.00 -1.95 0.00 0.00 55.36 53.75 1imt s GLN 53 Cb 0.02 -4.00 -0.02 0.00 -0.22 0.00 0.00 33.01 28.79 1imt s GLN 53 CO 0.06 -1.62 1.82 1.03 -0.25 0.00 0.00 175.29 176.32 1imt s ARG 54 N 4.87 2.78 0.26 2.91 0.52 -1.26 -4.81 118.95 124.23 1imt s ARG 54 Ca 0.45 -0.36 -0.03 0.00 -0.52 0.00 0.00 55.73 55.28 1imt s ARG 54 Cb -0.08 -5.03 0.40 0.00 0.52 0.00 0.00 34.95 30.76 1imt s ARG 54 CO 0.27 -3.05 1.88 0.52 0.02 0.00 0.00 175.30 174.94 1imt h MET 55 N 11.34 1.11 -6.99 3.54 2.86 -1.93 -3.40 114.93 121.46 1imt h MET 55 Ca 0.07 -0.07 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1imt h MET 55 Cb 1.02 -0.25 0.10 0.00 0.06 0.00 0.00 31.60 32.54 1imt h MET 55 CO 1.26 0.73 0.62 -1.01 1.06 0.00 0.00 176.91 179.57 1imt s HIS 56 N -6.04 2.61 0.00 -0.22 3.76 -1.26 -4.88 115.29 109.25 1imt s HIS 56 Ca -0.12 1.38 -0.00 0.00 -0.15 0.00 0.00 55.06 56.16 1imt s HIS 56 Cb 0.20 -3.73 -0.01 0.00 1.11 0.00 0.00 32.58 30.15 1imt s HIS 56 CO 0.81 -2.43 1.89 1.58 -0.85 0.00 0.00 174.74 175.74 1imt n HIS 57 N -0.29 0.00 -4.21 1.40 -0.00 -1.26 -4.57 115.22 106.28 1imt n HIS 57 Ca 0.06 -0.94 -0.18 0.00 0.46 0.00 0.00 57.72 57.13 1imt n HIS 57 Cb 0.44 -0.51 -0.07 0.00 -0.12 0.00 0.00 29.99 29.73 1imt n HIS 57 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1imt s THR 58 N 0.17 0.00 0.21 3.57 -4.23 -1.26 -4.93 115.64 109.17 1imt s THR 58 Ca 0.02 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1imt s THR 58 Cb 0.01 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1imt s THR 58 CO 0.00 0.00 0.09 0.00 -0.54 0.00 0.00 174.62 174.17 1imt s PRO 60 N -4.07 -0.09 0.30 0.00 0.02 -1.26 -0.48 135.00 129.42 1imt s PRO 60 Ca 0.35 0.98 -0.12 0.00 0.02 0.00 0.00 61.00 62.23 1imt s PRO 60 Cb 0.07 -1.64 -0.08 0.00 0.02 0.00 0.00 34.50 32.87 1imt s PRO 60 CO 0.10 -3.21 0.67 0.00 -0.33 0.00 0.00 177.00 174.23 1imt n ALA 62 N -0.42 2.71 -1.05 0.00 0.00 0.50 -4.66 120.51 117.58 1imt n ALA 62 Ca 0.02 0.39 -0.03 0.00 0.00 0.00 0.00 53.44 53.82 1imt n ALA 62 Cb 0.53 -2.50 -0.02 0.00 0.00 0.00 0.00 19.45 17.47 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 3.12 0.01 0.00 0.00 -0.02 -1.26 -0.51 135.00 136.34 1imt n PRO 63 Ca 0.13 -0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1imt n PRO 63 Cb 0.36 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 1imt n PRO 63 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1imt n ASN 64 N 6.21 0.00 -4.76 2.55 4.05 -1.26 -5.15 115.26 116.90 1imt n ASN 64 Ca 0.06 0.00 -0.34 0.00 0.45 0.00 0.00 54.58 54.75 1imt n ASN 64 Cb 0.46 0.00 0.05 0.00 1.23 0.00 0.00 39.78 41.52 1imt n ASN 64 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1imt s LEU 65 N 0.00 3.44 -0.03 1.20 1.02 0.33 -4.45 118.68 120.19 1imt s LEU 65 Ca 0.00 2.11 0.04 0.00 0.02 0.00 0.00 54.13 56.30 1imt s LEU 65 Cb 0.00 -4.56 -0.03 0.00 0.02 0.00 0.00 46.19 41.62 1imt s LEU 65 CO 0.00 -1.68 -0.15 0.00 0.02 0.00 0.00 176.35 174.54 1imt s ALA 66 N -2.16 2.66 -0.29 4.21 0.00 0.17 -4.59 121.76 121.77 1imt s ALA 66 Ca 0.70 -1.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 1imt s ALA 66 Cb -0.23 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 21.97 1imt s ALA 66 CO 0.40 0.56 1.08 0.00 0.00 0.00 0.00 175.76 177.80 1imt s VAL 68 N 3.54 0.15 0.02 0.00 0.11 0.10 -4.96 120.40 119.36 1imt s VAL 68 Ca 0.46 -1.21 -0.30 0.00 -2.93 0.00 0.00 61.98 58.00 1imt s VAL 68 Cb -0.14 -0.68 -0.05 0.00 -1.53 0.00 0.00 36.38 33.98 1imt s VAL 68 CO 0.13 -0.67 1.31 -1.10 -3.33 0.00 0.00 175.10 171.44 1imt s GLN 69 N -2.28 4.34 -0.22 1.54 -1.52 -1.26 -0.55 119.66 119.71 1imt s GLN 69 Ca -0.08 1.87 0.11 0.00 -1.95 0.00 0.00 55.36 55.30 1imt s GLN 69 Cb -0.04 -3.46 -0.22 0.00 -0.22 0.00 0.00 33.01 29.07 1imt s GLN 69 CO -0.04 -0.45 -0.04 0.25 -0.25 0.00 0.00 175.29 174.76 1imt n THR 70 N 4.36 1.44 -3.60 -0.19 -2.24 0.34 -4.93 114.28 109.47 1imt n THR 70 Ca 0.11 -0.73 -0.09 0.00 -2.27 0.00 0.00 64.05 61.07 1imt n THR 70 Cb 0.45 -0.90 -0.02 0.00 -2.10 0.00 0.00 70.33 67.75 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 -5.97 -0.41 -0.23 3.42 0.01 -1.14 -5.03 113.70 104.35 1imt s SER 71 Ca -0.21 -0.22 -0.43 0.00 1.31 0.00 0.00 55.95 56.40 1imt s SER 71 Cb 0.07 0.60 -0.19 0.00 0.21 0.00 0.00 66.02 66.71 1imt s SER 71 CO 0.73 -1.03 1.39 -2.65 0.41 0.00 0.00 173.24 172.09 1imt n PRO 72 N -0.39 0.24 0.00 12.44 -0.02 -1.26 -0.57 135.00 145.43 1imt n PRO 72 Ca -0.11 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1imt n PRO 72 Cb 0.62 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 1imt n PRO 72 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1imt n LYS 73 N 3.06 0.00 -1.98 -0.52 4.81 -1.26 -4.88 118.16 117.39 1imt n LYS 73 Ca 0.25 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.44 1imt n LYS 73 Cb 0.04 -0.27 -0.06 0.00 0.02 0.00 0.00 35.03 34.76 1imt n LYS 73 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1imt s LYS 74 N 0.00 2.37 -0.28 1.64 1.02 0.26 -4.92 119.74 119.83 1imt s LYS 74 Ca 0.00 -0.51 -0.12 0.00 0.02 0.00 0.00 55.97 55.36 1imt s LYS 74 Cb 0.00 -5.09 -0.04 0.00 -0.52 0.00 0.00 37.83 32.17 1imt s LYS 74 CO 0.00 -3.80 0.26 -0.06 -0.92 0.00 0.00 175.35 170.83 1imt s PHE 75 N 11.23 3.23 0.14 3.18 0.08 -1.26 -0.51 117.98 134.08 1imt s PHE 75 Ca 0.72 0.22 0.04 0.00 0.12 0.00 0.00 56.93 58.03 1imt s PHE 75 Cb -0.05 -2.45 -0.04 0.00 -0.57 0.00 0.00 43.02 39.90 1imt s PHE 75 CO 0.06 -0.19 -0.08 0.15 -0.10 0.00 0.00 175.22 175.06 1imt s LYS 76 N 1.88 1.04 -0.19 0.44 1.02 0.29 -0.54 119.74 123.67 1imt s LYS 76 Ca 0.10 -1.45 -0.25 0.00 0.02 0.00 0.00 55.97 54.39 1imt s LYS 76 Cb -0.16 -0.52 -0.01 0.00 -0.52 0.00 0.00 37.83 36.62 1imt s LYS 76 CO 0.11 0.03 0.85 0.00 -0.92 0.00 0.00 175.35 175.42 1imt s LEU 78 N 2.38 2.59 0.81 0.00 2.96 0.09 -0.43 118.68 127.09 1imt s LEU 78 Ca 0.38 -1.08 -0.13 0.00 -0.22 0.00 0.00 54.13 53.08 1imt s LEU 78 Cb -0.16 -0.90 0.09 0.00 0.50 0.00 0.00 46.19 45.71 1imt s LEU 78 CO 0.11 -0.11 1.21 -0.44 -1.32 0.00 0.00 176.35 175.79 1imt s SER 79 N -3.47 3.54 0.00 3.68 0.01 -1.26 -0.66 113.70 115.54 1imt s SER 79 Ca 0.28 2.37 0.00 0.00 1.31 0.00 0.00 55.95 59.92 1imt s SER 79 Cb -0.01 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1imt s SER 79 CO 0.13 -2.71 0.00 1.17 0.41 0.00 0.00 173.24 172.24