#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lin s VAL 2 N 0.00 4.98 -0.27 0.52 1.01 -1.26 -5.05 120.40 120.32 3lin s VAL 2 Ca 0.00 1.34 -0.03 0.00 0.00 0.00 0.00 61.98 63.30 3lin s VAL 2 Cb 0.00 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.40 3lin s VAL 2 CO 0.00 0.10 -0.02 -0.63 0.00 0.00 0.00 175.10 174.55 3lin s ILE 3 N 1.87 3.10 0.79 2.22 1.01 -1.26 -5.09 121.20 123.84 3lin s ILE 3 Ca 0.32 -1.08 -0.11 0.00 0.00 0.00 0.00 60.65 59.78 3lin s ILE 3 Cb -0.16 -2.65 0.07 0.00 0.01 0.00 0.00 42.46 39.73 3lin s ILE 3 CO 0.12 0.08 1.09 -2.16 0.00 0.00 0.00 174.94 174.06 3lin s PRO 4 N 1.33 2.13 -0.07 2.79 0.04 -1.26 -5.04 135.00 134.92 3lin s PRO 4 Ca -0.01 0.92 0.05 0.00 0.04 0.00 0.00 61.00 61.99 3lin s PRO 4 Cb -0.18 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 3lin s PRO 4 CO -0.02 -1.66 -0.24 -0.51 0.04 0.00 0.00 177.00 174.61 3lin s LEU 5 N -5.88 2.06 -0.15 -3.56 1.43 -1.26 -4.94 118.68 106.37 3lin s LEU 5 Ca 0.61 -0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 53.11 3lin s LEU 5 Cb -0.16 -1.35 0.06 0.00 0.03 0.00 0.00 46.19 44.77 3lin s LEU 5 CO 0.56 0.20 0.37 -0.62 0.23 0.00 0.00 176.35 177.09 3lin s ASP 6 N 0.06 -0.43 0.40 2.29 -1.08 -1.26 -5.05 116.67 111.60 3lin s ASP 6 Ca -0.10 0.80 0.11 0.00 -0.52 0.00 0.00 52.55 52.85 3lin s ASP 6 Cb -0.15 0.70 0.84 0.00 -1.46 0.00 0.00 42.92 42.85 3lin s ASP 6 CO 0.06 -0.19 1.93 1.55 0.52 0.00 0.00 175.17 179.04 3lin h PRO 7 N 7.20 0.17 0.00 4.34 0.13 -2.03 -2.56 132.00 139.25 3lin h PRO 7 Ca -0.37 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3lin h PRO 7 Cb 1.17 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3lin h PRO 7 CO 0.31 0.32 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 3lin n ALA 8 N -2.49 2.10 -3.82 -0.56 0.00 -1.26 -4.72 120.51 109.76 3lin n ALA 8 Ca -0.01 -0.03 -0.26 0.00 0.00 0.00 0.00 53.44 53.14 3lin n ALA 8 Cb 0.26 -1.43 -0.17 0.00 0.00 0.00 0.00 19.45 18.12 3lin n ALA 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3lin s ARG 9 N -3.10 1.41 0.02 0.00 0.52 -0.96 -5.13 118.95 111.71 3lin s ARG 9 Ca 0.10 -0.22 -0.30 0.00 -0.52 0.00 0.00 55.73 54.78 3lin s ARG 9 Cb 0.13 -1.46 -0.05 0.00 0.52 0.00 0.00 34.95 34.09 3lin s ARG 9 CO 0.50 -0.23 1.27 1.03 0.02 0.00 0.00 175.30 177.89 3lin s ARG 10 N 1.57 4.36 -0.37 3.54 0.52 -1.26 -4.34 118.95 122.97 3lin s ARG 10 Ca 0.02 1.83 -0.29 0.00 -0.52 0.00 0.00 55.73 56.77 3lin s ARG 10 Cb -0.13 -3.44 0.00 0.00 0.52 0.00 0.00 34.95 31.90 3lin s ARG 10 CO -0.06 -0.40 1.39 -1.25 0.02 0.00 0.00 175.30 175.00 3lin s PRO 11 N 1.68 3.69 0.21 3.54 0.04 -1.26 -4.98 135.00 137.92 3lin s PRO 11 Ca 0.60 1.08 0.10 0.00 0.04 0.00 0.00 61.00 62.82 3lin s PRO 11 Cb -0.30 -3.98 -0.05 0.00 0.04 0.00 0.00 34.50 30.22 3lin s PRO 11 CO 0.27 -1.41 -0.21 0.14 0.04 0.00 0.00 177.00 175.83 3lin s VAL 12 N 5.09 2.18 -0.03 -0.36 -7.23 -1.26 -0.78 120.40 118.01 3lin s VAL 12 Ca 0.60 -2.11 -0.05 0.00 -1.81 0.00 0.00 61.98 58.61 3lin s VAL 12 Cb -0.15 -2.08 0.01 0.00 0.56 0.00 0.00 36.38 34.71 3lin s VAL 12 CO 0.29 -0.29 0.13 -0.51 -0.31 0.00 0.00 175.10 174.42 3lin s ILE 13 N -2.10 0.03 0.07 -0.62 2.07 -0.08 -4.91 121.20 115.65 3lin s ILE 13 Ca 0.22 -0.23 -0.30 0.00 -1.41 0.00 0.00 60.65 58.93 3lin s ILE 13 Cb -0.06 -0.27 -0.05 0.00 0.13 0.00 0.00 42.46 42.21 3lin s ILE 13 CO 0.10 -0.13 0.95 -0.54 -1.91 0.00 0.00 174.94 173.42 3lin s LYS 14 N -0.39 4.63 -0.01 3.50 -0.14 -1.26 -0.39 119.74 125.69 3lin s LYS 14 Ca -0.05 1.41 0.01 0.00 -1.36 0.00 0.00 55.97 55.99 3lin s LYS 14 Cb -0.03 -3.41 -0.00 0.00 -1.68 0.00 0.00 37.83 32.71 3lin s LYS 14 CO 0.01 0.12 -0.05 0.00 -0.76 0.00 0.00 175.35 174.67 3lin s ALA 15 N 0.37 0.41 -0.24 5.17 0.00 -0.28 -4.17 121.76 123.01 3lin s ALA 15 Ca 0.48 -0.19 -0.15 0.00 0.00 0.00 0.00 51.96 52.10 3lin s ALA 15 Cb -0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 3lin s ALA 15 CO 0.29 0.09 0.37 -1.14 0.00 0.00 0.00 175.76 175.37 3lin s GLN 16 N -0.03 4.08 -0.12 0.00 0.74 0.25 -1.15 119.66 123.42 3lin s GLN 16 Ca 0.01 0.09 0.02 0.00 0.05 0.00 0.00 55.36 55.53 3lin s GLN 16 Cb -0.03 -3.60 -0.01 0.00 1.10 0.00 0.00 33.01 30.47 3lin s GLN 16 CO -0.00 -0.17 -0.19 0.08 -0.55 0.00 0.00 175.29 174.46 3lin s VAL 17 N 1.73 2.50 -0.25 1.34 1.01 0.16 -0.71 120.40 126.17 3lin s VAL 17 Ca 0.16 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3lin s VAL 17 Cb -0.15 -2.01 0.04 0.00 0.00 0.00 0.00 36.38 34.27 3lin s VAL 17 CO 0.09 0.54 -0.09 -0.62 0.00 0.00 0.00 175.10 175.02 3lin s ASP 18 N 0.41 4.30 0.00 3.32 -1.08 0.17 -1.76 116.67 122.03 3lin s ASP 18 Ca -0.14 -1.14 0.29 0.00 -0.52 0.00 0.00 52.55 51.04 3lin s ASP 18 Cb -0.17 -1.60 1.28 0.00 -1.46 0.00 0.00 42.92 40.97 3lin s ASP 18 CO 0.06 -0.16 1.89 0.35 0.52 0.00 0.00 175.17 177.83 3lin n THR 19 N 4.55 0.00 -1.45 1.71 -2.24 -1.26 -0.78 114.28 114.82 3lin n THR 19 Ca -0.15 -0.06 -0.16 0.00 -2.27 0.00 0.00 64.05 61.41 3lin n THR 19 Cb 0.45 -0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.48 3lin n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3lin n GLN 20 N -0.95 -1.52 0.00 -0.78 6.02 -1.26 -4.80 117.38 114.09 3lin n GLN 20 Ca 0.15 1.02 0.00 0.00 -0.01 0.00 0.00 57.00 58.16 3lin n GLN 20 Cb 0.27 -5.37 -0.00 0.00 1.02 0.00 0.00 30.24 26.16 3lin n GLN 20 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3lin n THR 21 N -2.20 0.00 -3.82 5.09 -2.24 -1.26 -5.07 114.28 104.79 3lin n THR 21 Ca -0.16 -0.50 -0.05 0.00 -2.27 0.00 0.00 64.05 61.07 3lin n THR 21 Cb 0.60 1.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.84 3lin n THR 21 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3lin s SER 22 N -0.53 -0.13 0.78 3.42 1.04 -1.26 -4.34 113.70 112.68 3lin s SER 22 Ca 0.00 -0.67 -0.12 0.00 0.48 0.00 0.00 55.95 55.64 3lin s SER 22 Cb 0.00 0.64 0.07 0.00 0.10 0.00 0.00 66.02 66.83 3lin s SER 22 CO 0.01 -1.21 1.13 -1.38 0.98 0.00 0.00 173.24 172.76 3lin s HIS 23 N -3.05 2.26 0.53 5.02 0.00 -1.26 -4.52 115.29 114.27 3lin s HIS 23 Ca 0.14 1.62 -0.22 0.00 -3.00 0.00 0.00 55.06 53.61 3lin s HIS 23 Cb -0.04 -3.21 -0.05 0.00 -4.00 0.00 0.00 32.58 25.28 3lin s HIS 23 CO 0.06 -2.16 1.32 -2.14 -1.00 0.00 0.00 174.74 170.82 3lin s PRO 24 N -4.53 3.26 0.02 -0.38 0.02 -1.26 -4.85 135.00 127.28 3lin s PRO 24 Ca 0.66 2.13 -0.02 0.00 0.02 0.00 0.00 61.00 63.79 3lin s PRO 24 Cb -0.21 -2.28 -0.02 0.00 0.02 0.00 0.00 34.50 32.02 3lin s PRO 24 CO 0.52 -1.06 0.02 0.15 -0.33 0.00 0.00 177.00 176.29 3lin s LYS 25 N -2.88 0.39 -0.14 5.54 1.02 -0.72 -4.91 119.74 118.05 3lin s LYS 25 Ca 0.70 -0.62 -0.20 0.00 0.02 0.00 0.00 55.97 55.87 3lin s LYS 25 Cb -0.38 0.15 -0.03 0.00 -0.52 0.00 0.00 37.83 37.04 3lin s LYS 25 CO 0.45 -0.08 0.59 0.99 -0.92 0.00 0.00 175.35 176.38 3lin s THR 26 N -1.71 5.09 0.20 2.17 2.01 -1.26 0.35 115.64 122.49 3lin s THR 26 Ca -0.13 1.15 0.06 0.00 0.31 0.00 0.00 61.69 63.08 3lin s THR 26 Cb -0.08 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 3lin s THR 26 CO -0.01 0.22 -0.10 0.27 -0.69 0.00 0.00 174.62 174.31 3lin s ILE 27 N 1.19 1.46 -0.34 1.82 -4.36 -0.30 -4.97 121.20 115.69 3lin s ILE 27 Ca 0.29 -2.13 -0.13 0.00 -0.26 0.00 0.00 60.65 58.42 3lin s ILE 27 Cb -0.16 -2.07 -0.02 0.00 1.25 0.00 0.00 42.46 41.47 3lin s ILE 27 CO 0.12 -0.57 0.27 -0.70 0.24 0.00 0.00 174.94 174.30 3lin s GLU 28 N -3.71 3.50 0.01 0.37 2.12 -1.26 -1.12 118.70 118.60 3lin s GLU 28 Ca 0.22 -0.59 0.05 0.00 0.36 0.00 0.00 54.97 55.01 3lin s GLU 28 Cb 0.02 -3.81 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 3lin s GLU 28 CO 0.06 -0.47 -0.14 0.00 -0.54 0.00 0.00 175.26 174.16 3lin s ALA 29 N 1.80 2.70 0.10 6.30 0.00 0.48 -4.63 121.76 128.52 3lin s ALA 29 Ca 0.08 -1.09 -0.31 0.00 0.00 0.00 0.00 51.96 50.64 3lin s ALA 29 Cb -0.17 -0.89 -0.07 0.00 0.00 0.00 0.00 23.12 21.99 3lin s ALA 29 CO 0.11 0.58 1.32 -1.17 0.00 0.00 0.00 175.76 176.59 3lin s LEU 30 N -1.22 4.37 -0.40 0.00 2.96 0.02 -0.90 118.68 123.51 3lin s LEU 30 Ca 0.14 2.22 -0.25 0.00 -0.22 0.00 0.00 54.13 56.02 3lin s LEU 30 Cb -0.11 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.02 3lin s LEU 30 CO 0.04 -0.58 0.91 -0.76 -1.32 0.00 0.00 176.35 174.64 3lin s LEU 31 N 1.02 4.02 -0.36 -0.68 2.01 0.04 0.12 118.68 124.86 3lin s LEU 31 Ca 0.62 0.38 0.00 0.00 0.01 0.00 0.00 54.13 55.14 3lin s LEU 31 Cb -0.34 -3.21 0.11 0.00 0.01 0.00 0.00 46.19 42.77 3lin s LEU 31 CO 0.30 -0.92 0.15 -0.62 1.01 0.00 0.00 176.35 176.27 3lin s ASP 32 N 2.02 3.87 0.05 2.29 -1.08 -0.35 -4.79 116.67 118.68 3lin s ASP 32 Ca 0.37 -2.01 0.22 0.00 -0.52 0.00 0.00 52.55 50.61 3lin s ASP 32 Cb -0.11 -0.92 0.89 0.00 -1.46 0.00 0.00 42.92 41.32 3lin s ASP 32 CO 0.21 -0.36 1.68 0.35 0.52 0.00 0.00 175.17 177.58 3lin n THR 33 N 4.36 0.60 1.47 1.71 -2.24 -1.26 -2.14 114.28 116.77 3lin n THR 33 Ca 0.02 0.11 0.14 0.00 -2.27 0.00 0.00 64.05 62.06 3lin n THR 33 Cb 0.39 -0.81 0.55 0.00 -2.10 0.00 0.00 70.33 68.36 3lin n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lin n GLY 34 N 0.64 -0.47 3.63 3.38 0.00 -1.26 -4.80 105.19 106.30 3lin n GLY 34 Ca 0.05 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 3lin n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lin s ALA 35 N -2.24 3.57 0.34 4.61 0.00 -0.91 -4.97 121.76 122.17 3lin s ALA 35 Ca 0.33 -0.96 0.09 0.00 0.00 0.00 0.00 51.96 51.42 3lin s ALA 35 Cb 0.20 -2.41 0.62 0.00 0.00 0.00 0.00 23.12 21.54 3lin s ALA 35 CO 0.42 -0.36 1.80 -0.44 0.00 0.00 0.00 175.76 177.18 3lin h ASP 36 N 7.89 0.20 -4.58 0.00 3.32 -1.88 -0.49 116.42 120.88 3lin h ASP 36 Ca -0.37 -0.06 -0.31 0.00 0.02 0.00 0.00 57.03 56.31 3lin h ASP 36 Cb 1.18 -0.05 -0.20 0.00 0.22 0.00 0.00 39.33 40.48 3lin h ASP 36 CO 0.61 0.50 -0.74 -0.32 -1.72 0.00 0.00 179.24 177.57 3lin s MET 37 N -4.36 0.71 0.50 3.56 1.75 -1.26 -3.69 119.30 116.50 3lin s MET 37 Ca -0.05 -0.97 -0.19 0.00 -1.25 0.00 0.00 55.69 53.23 3lin s MET 37 Cb 0.14 -0.45 -0.08 0.00 2.84 0.00 0.00 34.83 37.28 3lin s MET 37 CO 0.75 0.08 1.02 0.99 -0.65 0.00 0.00 175.02 177.21 3lin s THR 38 N -1.90 3.97 -0.10 10.11 2.01 -1.26 -4.28 115.64 124.19 3lin s THR 38 Ca -0.02 1.14 0.01 0.00 0.31 0.00 0.00 61.69 63.14 3lin s THR 38 Cb -0.06 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 68.97 3lin s THR 38 CO 0.00 -0.35 -0.11 -0.69 -0.69 0.00 0.00 174.62 172.78 3lin s VAL 39 N -2.17 1.18 0.20 3.82 1.01 -0.05 -1.37 120.40 123.03 3lin s VAL 39 Ca 0.65 -0.44 0.11 0.00 0.00 0.00 0.00 61.98 62.29 3lin s VAL 39 Cb -0.14 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 3lin s VAL 39 CO 0.23 0.38 -0.19 0.27 0.00 0.00 0.00 175.10 175.79 3lin s ILE 40 N 1.16 2.62 0.33 2.22 -4.36 -0.37 -0.68 121.20 122.12 3lin s ILE 40 Ca -0.05 -1.98 -0.28 0.00 -0.26 0.00 0.00 60.65 58.09 3lin s ILE 40 Cb -0.14 -2.29 -0.09 0.00 1.25 0.00 0.00 42.46 41.19 3lin s ILE 40 CO -0.03 -0.16 1.11 -2.16 0.24 0.00 0.00 174.94 173.95 3lin s PRO 41 N -2.85 4.42 0.62 0.37 0.04 -1.17 -0.38 135.00 136.06 3lin s PRO 41 Ca 0.23 1.77 0.37 0.00 0.04 0.00 0.00 61.00 63.42 3lin s PRO 41 Cb -0.08 -2.96 2.09 0.00 0.04 0.00 0.00 34.50 33.60 3lin s PRO 41 CO 0.12 0.03 2.30 0.97 0.04 0.00 0.00 177.00 180.45 3lin h ILE 42 N 2.77 0.26 -0.02 0.56 2.10 -1.47 -1.95 117.51 119.76 3lin h ILE 42 Ca -0.47 -0.05 0.01 0.00 1.08 0.00 0.00 64.86 65.42 3lin h ILE 42 Cb 1.22 1.04 -0.00 0.00 -1.09 0.00 0.00 36.82 37.98 3lin h ILE 42 CO 0.65 0.01 0.11 0.00 -1.08 0.00 0.00 178.15 177.84 3lin h ALA 43 N 1.99 1.21 0.00 0.18 0.00 -1.92 -1.11 119.26 119.62 3lin h ALA 43 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3lin h ALA 43 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3lin h ALA 43 CO 0.00 -0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.41 3lin n LEU 44 N -3.15 0.00 -4.54 0.00 4.77 -0.73 -4.86 117.00 108.48 3lin n LEU 44 Ca -0.02 0.14 -0.30 0.00 -0.03 0.00 0.00 56.01 55.80 3lin n LEU 44 Cb 0.18 -0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.03 3lin n LEU 44 CO 0.19 -0.02 -0.44 -0.36 -1.33 0.00 0.00 177.39 175.43 3lin s PHE 45 N -2.28 2.68 0.33 -1.77 0.40 -0.42 -4.68 117.98 112.24 3lin s PHE 45 Ca 0.33 -0.19 -0.29 0.00 -0.60 0.00 0.00 56.93 56.18 3lin s PHE 45 Cb 0.18 -1.42 -0.12 0.00 0.51 0.00 0.00 43.02 42.17 3lin s PHE 45 CO 0.35 0.40 1.48 -1.13 0.70 0.00 0.00 175.22 177.02 3lin n SER 46 N 0.85 3.54 0.31 1.36 3.41 -1.26 -4.85 113.62 116.98 3lin n SER 46 Ca -0.14 1.19 0.16 0.00 -0.26 0.00 0.00 58.87 59.82 3lin n SER 46 Cb 0.52 -1.57 0.84 0.00 -0.26 0.00 0.00 64.21 63.75 3lin n SER 46 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3lin h SER 47 N 3.57 0.00 -0.36 4.04 0.02 -1.96 -2.04 113.55 116.82 3lin h SER 47 Ca -0.48 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.40 3lin h SER 47 Cb 1.25 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.75 3lin h SER 47 CO 0.70 0.00 0.03 0.59 -1.14 0.00 0.00 176.83 177.00 3lin n ASN 48 N -2.80 3.81 -4.75 3.07 4.13 -1.26 -5.03 115.26 112.43 3lin n ASN 48 Ca -0.02 -3.20 -0.40 0.00 1.68 0.00 0.00 54.58 52.64 3lin n ASN 48 Cb 0.28 -0.60 -0.05 0.00 -1.54 0.00 0.00 39.78 37.87 3lin n ASN 48 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3lin s THR 49 N -2.94 3.88 -0.11 3.41 2.01 -0.77 -5.00 115.64 116.12 3lin s THR 49 Ca 0.45 1.83 -0.30 0.00 0.31 0.00 0.00 61.69 63.98 3lin s THR 49 Cb 0.37 -4.16 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 3lin s THR 49 CO 0.08 0.41 1.22 -2.16 -0.69 0.00 0.00 174.62 173.48 3lin s PRO 50 N -1.09 4.30 -0.04 4.92 0.05 -1.26 -5.01 135.00 136.87 3lin s PRO 50 Ca 0.44 1.65 0.02 0.00 0.05 0.00 0.00 61.00 63.16 3lin s PRO 50 Cb -0.28 -3.64 0.01 0.00 0.05 0.00 0.00 34.50 30.64 3lin s PRO 50 CO 0.35 -0.56 -0.06 -0.51 0.05 0.00 0.00 177.00 176.28 3lin s LEU 51 N 2.76 1.54 0.07 -3.56 1.43 -1.26 -4.10 118.68 115.56 3lin s LEU 51 Ca 0.55 -0.15 -0.23 0.00 -1.03 0.00 0.00 54.13 53.27 3lin s LEU 51 Cb -0.23 -0.48 -0.06 0.00 0.03 0.00 0.00 46.19 45.45 3lin s LEU 51 CO 0.18 -0.01 0.68 -0.54 0.23 0.00 0.00 176.35 176.90 3lin s LYS 52 N 0.61 4.40 0.64 1.70 1.02 -0.10 -4.81 119.74 123.19 3lin s LYS 52 Ca -0.09 0.93 -0.18 0.00 0.02 0.00 0.00 55.97 56.65 3lin s LYS 52 Cb -0.12 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.87 3lin s LYS 52 CO 0.01 0.46 1.24 0.09 -0.92 0.00 0.00 175.35 176.23 3lin n ASN 53 N 2.23 1.88 -3.80 2.83 3.02 -1.26 0.01 115.26 120.17 3lin n ASN 53 Ca -0.06 0.83 -0.09 0.00 -0.03 0.00 0.00 54.58 55.23 3lin n ASN 53 Cb 0.50 -1.53 -0.04 0.00 -0.61 0.00 0.00 39.78 38.10 3lin n ASN 53 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3lin s THR 54 N -1.40 0.02 -0.05 3.41 -1.32 -1.25 -4.66 115.64 110.38 3lin s THR 54 Ca 0.81 -0.91 0.06 0.00 -1.21 0.00 0.00 61.69 60.45 3lin s THR 54 Cb -0.39 -1.75 -0.01 0.00 -1.51 0.00 0.00 72.50 68.84 3lin s THR 54 CO 0.42 -0.07 -0.25 -0.55 -2.21 0.00 0.00 174.62 171.95 3lin s SER 55 N -2.90 3.09 -0.03 8.08 0.15 -1.26 -4.45 113.70 116.37 3lin s SER 55 Ca 0.12 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.27 3lin s SER 55 Cb -0.02 -0.81 0.02 0.00 -1.71 0.00 0.00 66.02 63.50 3lin s SER 55 CO 0.01 0.25 -0.03 -0.69 1.20 0.00 0.00 173.24 173.98 3lin s VAL 56 N -0.20 0.39 -0.15 4.45 1.01 -0.51 -4.99 120.40 120.40 3lin s VAL 56 Ca -0.02 -0.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.70 3lin s VAL 56 Cb -0.13 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 3lin s VAL 56 CO 0.03 0.18 0.53 -0.22 0.00 0.00 0.00 175.10 175.62 3lin s LEU 57 N 0.76 4.22 0.00 3.92 2.96 -1.26 -0.43 118.68 128.85 3lin s LEU 57 Ca -0.09 0.81 0.00 0.00 -0.22 0.00 0.00 54.13 54.63 3lin s LEU 57 Cb -0.12 -2.76 0.00 0.00 0.50 0.00 0.00 46.19 43.81 3lin s LEU 57 CO -0.00 -0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.53 3lin n GLY 58 N 3.52 4.82 0.21 7.98 0.00 -0.40 -4.97 105.19 116.34 3lin n GLY 58 Ca -0.05 -1.92 -0.15 0.00 0.00 0.00 0.00 46.02 43.90 3lin n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lin h ALA 59 N 1.00 -0.45 -0.35 4.61 0.00 -2.02 -3.14 119.26 118.91 3lin h ALA 59 Ca 0.00 -0.12 -0.38 0.00 0.00 0.00 0.00 54.91 54.41 3lin h ALA 59 Cb 0.00 0.18 -0.14 0.00 0.00 0.00 0.00 17.79 17.83 3lin h ALA 59 CO 0.00 -0.72 0.15 0.41 0.00 0.00 0.00 179.25 179.08 3lin n GLY 60 N -1.12 3.86 5.21 0.00 0.00 -1.26 -4.98 105.19 106.91 3lin n GLY 60 Ca -0.10 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.36 3lin n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lin n GLY 61 N 1.34 -2.14 3.75 -0.02 0.00 -1.19 -4.90 105.19 102.04 3lin n GLY 61 Ca 0.44 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 3lin n GLY 61 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3lin s GLN 62 N -0.17 4.44 -0.07 1.61 2.00 -1.26 -1.28 119.66 124.93 3lin s GLN 62 Ca 0.00 2.04 0.02 0.00 -2.00 0.00 0.00 55.36 55.42 3lin s GLN 62 Cb 0.00 -3.15 0.01 0.00 0.80 0.00 0.00 33.01 30.67 3lin s GLN 62 CO 0.00 -0.11 -0.13 -0.08 -0.50 0.00 0.00 175.29 174.47 3lin s THR 63 N -0.61 1.21 -0.69 -0.34 -1.32 0.43 -4.94 115.64 109.37 3lin s THR 63 Ca 0.51 -0.51 0.22 0.00 -1.21 0.00 0.00 61.69 60.70 3lin s THR 63 Cb -0.36 -1.11 -0.20 0.00 -1.51 0.00 0.00 72.50 69.32 3lin s THR 63 CO 0.44 0.37 0.90 0.00 -2.21 0.00 0.00 174.62 174.12 3lin n GLN 64 N 3.91 0.22 0.00 7.08 1.13 -1.26 -1.43 117.38 127.03 3lin n GLN 64 Ca -0.22 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 54.80 3lin n GLN 64 Cb 0.52 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 29.33 3lin n GLN 64 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3lin n ASP 65 N -1.79 0.63 0.04 1.08 5.68 -1.26 -4.47 116.55 116.45 3lin n ASP 65 Ca 0.02 -0.90 -0.06 0.00 -0.50 0.00 0.00 54.79 53.35 3lin n ASP 65 Cb 0.41 0.12 0.13 0.00 -1.14 0.00 0.00 41.12 40.63 3lin n ASP 65 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3lin h HIS 66 N 0.00 0.50 -4.41 2.11 3.86 -1.90 -3.45 115.15 111.86 3lin h HIS 66 Ca 0.00 -0.16 -0.69 0.00 -1.16 0.00 0.00 60.37 58.36 3lin h HIS 66 Cb 0.11 -0.10 -0.28 0.00 1.06 0.00 0.00 27.41 28.20 3lin h HIS 66 CO 0.00 0.82 -0.88 -0.06 0.86 0.00 0.00 177.93 178.66 3lin s PHE 67 N -4.06 2.29 0.40 2.45 0.40 -1.26 -0.86 117.98 117.34 3lin s PHE 67 Ca -0.06 -0.42 0.07 0.00 -0.60 0.00 0.00 56.93 55.92 3lin s PHE 67 Cb 0.12 -1.41 -0.07 0.00 0.51 0.00 0.00 43.02 42.17 3lin s PHE 67 CO 0.81 0.06 0.05 0.15 0.70 0.00 0.00 175.22 176.99 3lin s LYS 68 N -0.99 2.03 -0.09 0.44 1.02 -0.50 -3.77 119.74 117.88 3lin s LYS 68 Ca 0.11 -2.01 -0.03 0.00 0.02 0.00 0.00 55.97 54.06 3lin s LYS 68 Cb -0.10 -1.75 -0.03 0.00 -0.52 0.00 0.00 37.83 35.42 3lin s LYS 68 CO 0.01 -0.05 0.04 -1.17 -0.92 0.00 0.00 175.35 173.26 3lin s LEU 69 N -3.76 3.80 0.78 3.17 2.96 0.10 0.38 118.68 126.11 3lin s LEU 69 Ca 0.37 0.23 -0.12 0.00 -0.22 0.00 0.00 54.13 54.38 3lin s LEU 69 Cb 0.07 -1.89 0.07 0.00 0.50 0.00 0.00 46.19 44.94 3lin s LEU 69 CO 0.19 0.39 1.14 0.42 -1.32 0.00 0.00 176.35 177.17 3lin s THR 70 N -0.93 2.69 -0.14 3.68 -4.23 -0.63 -0.92 115.64 115.16 3lin s THR 70 Ca 0.14 0.27 0.18 0.00 -1.18 0.00 0.00 61.69 61.10 3lin s THR 70 Cb -0.12 -2.64 -0.25 0.00 1.34 0.00 0.00 72.50 70.84 3lin s THR 70 CO 0.03 -0.25 0.34 -1.20 -0.54 0.00 0.00 174.62 173.00 3lin n SER 71 N -3.35 0.22 -4.48 3.99 7.64 -1.26 -4.75 113.62 111.63 3lin n SER 71 Ca 0.11 0.10 -0.26 0.00 1.01 0.00 0.00 58.87 59.83 3lin n SER 71 Cb 0.52 0.98 -0.11 0.00 -1.01 0.00 0.00 64.21 64.59 3lin n SER 71 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3lin s LEU 72 N -5.38 2.64 0.68 -3.43 1.43 -1.26 -5.07 118.68 108.29 3lin s LEU 72 Ca -0.08 -0.78 -0.17 0.00 -1.03 0.00 0.00 54.13 52.07 3lin s LEU 72 Cb 0.08 -1.33 -0.06 0.00 0.03 0.00 0.00 46.19 44.91 3lin s LEU 72 CO 0.84 0.11 0.48 -2.65 0.23 0.00 0.00 176.35 175.36 3lin n PRO 73 N 0.09 0.35 -5.07 1.29 -0.02 -1.21 -4.80 135.00 125.62 3lin n PRO 73 Ca -0.11 0.15 -0.32 0.00 -2.02 0.00 0.00 63.50 61.20 3lin n PRO 73 Cb 0.56 -1.75 -0.16 0.00 -0.02 0.00 0.00 33.50 32.14 3lin n PRO 73 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3lin s VAL 74 N -1.86 2.47 -0.13 -1.45 1.01 -0.26 -4.61 120.40 115.57 3lin s VAL 74 Ca 0.66 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 3lin s VAL 74 Cb -0.38 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3lin s VAL 74 CO 0.58 0.56 0.05 -0.76 0.00 0.00 0.00 175.10 175.53 3lin s LEU 75 N -0.01 3.84 -0.07 3.92 1.43 0.04 -0.79 118.68 127.05 3lin s LEU 75 Ca -0.07 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 3lin s LEU 75 Cb -0.15 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.15 3lin s LEU 75 CO 0.05 0.30 -0.16 -0.63 0.23 0.00 0.00 176.35 176.13 3lin s ILE 76 N -0.39 1.45 -0.20 -0.59 1.01 0.13 -0.66 121.20 121.95 3lin s ILE 76 Ca 0.09 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 3lin s ILE 76 Cb -0.12 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.05 3lin s ILE 76 CO 0.02 0.42 -0.05 -0.13 0.00 0.00 0.00 174.94 175.20 3lin s ARG 77 N 0.45 3.44 0.33 2.79 0.52 0.11 -0.38 118.95 126.21 3lin s ARG 77 Ca -0.14 -0.61 -0.03 0.00 -0.52 0.00 0.00 55.73 54.44 3lin s ARG 77 Cb -0.16 -2.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.31 3lin s ARG 77 CO 0.05 -0.07 0.58 -0.51 0.02 0.00 0.00 175.30 175.37 3lin s LEU 78 N 1.15 3.99 0.39 2.53 1.43 -1.26 -0.58 118.68 126.33 3lin s LEU 78 Ca 0.02 0.64 0.07 0.00 -1.03 0.00 0.00 54.13 53.83 3lin s LEU 78 Cb -0.14 -3.49 0.80 0.00 0.03 0.00 0.00 46.19 43.39 3lin s LEU 78 CO -0.01 -0.28 2.00 -0.65 0.23 0.00 0.00 176.35 177.64 3lin h PRO 79 N 1.16 0.46 -0.66 1.29 0.11 -2.00 -2.84 132.00 129.51 3lin h PRO 79 Ca -0.48 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 3lin h PRO 79 Cb 1.20 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 3lin h PRO 79 CO 0.64 0.39 0.09 1.97 -0.21 0.00 0.00 178.00 180.88 3lin n PHE 80 N -4.40 2.10 -3.79 0.65 -1.74 -1.26 -4.88 117.46 104.14 3lin n PHE 80 Ca 0.02 -0.84 -0.13 0.00 -0.56 0.00 0.00 57.45 55.94 3lin n PHE 80 Cb 0.14 -0.55 -0.13 0.00 1.52 0.00 0.00 39.48 40.45 3lin n PHE 80 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 3lin s ARG 81 N -2.73 0.15 -0.13 3.97 1.81 -1.07 -5.05 118.95 115.89 3lin s ARG 81 Ca 0.52 0.27 -0.16 0.00 -1.72 0.00 0.00 55.73 54.64 3lin s ARG 81 Cb 0.40 -0.01 -0.25 0.00 -0.45 0.00 0.00 34.95 34.64 3lin s ARG 81 CO 0.14 -0.07 0.45 1.79 -0.68 0.00 0.00 175.30 176.93 3lin h THR 82 N 5.33 0.95 -3.06 0.02 1.35 -1.90 -3.40 112.91 112.20 3lin h THR 82 Ca -0.31 -2.33 -0.53 0.00 -0.55 0.00 0.00 66.41 62.69 3lin h THR 82 Cb 1.18 2.58 0.03 0.00 -1.73 0.00 0.00 68.15 70.21 3lin h THR 82 CO 0.42 0.64 0.75 -0.89 -0.25 0.00 0.00 175.52 176.19 3lin s THR 83 N -2.46 3.07 0.48 6.82 2.01 -1.26 -5.02 115.64 119.29 3lin s THR 83 Ca -0.22 0.80 -0.20 0.00 0.31 0.00 0.00 61.69 62.37 3lin s THR 83 Cb 0.05 -3.51 -0.09 0.00 0.01 0.00 0.00 72.50 68.96 3lin s THR 83 CO 0.72 0.08 1.02 -2.16 -0.69 0.00 0.00 174.62 173.59 3lin s PRO 84 N 0.77 3.87 0.15 4.92 0.04 -1.26 -4.77 135.00 138.72 3lin s PRO 84 Ca 0.64 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 3lin s PRO 84 Cb -0.39 -2.11 -0.07 0.00 0.04 0.00 0.00 34.50 31.98 3lin s PRO 84 CO 0.33 -0.37 1.04 0.42 0.04 0.00 0.00 177.00 178.46 3lin s ILE 85 N -2.01 4.13 -0.22 0.56 1.01 0.48 -4.88 121.20 120.28 3lin s ILE 85 Ca 0.66 1.81 0.02 0.00 0.00 0.00 0.00 60.65 63.14 3lin s ILE 85 Cb -0.15 -4.15 0.04 0.00 0.01 0.00 0.00 42.46 38.21 3lin s ILE 85 CO 0.19 0.29 -0.15 -0.69 0.00 0.00 0.00 174.94 174.59 3lin s VAL 86 N -0.12 2.05 -0.16 2.92 1.01 -1.26 0.20 120.40 125.03 3lin s VAL 86 Ca 0.48 -1.27 -0.14 0.00 0.00 0.00 0.00 61.98 61.06 3lin s VAL 86 Cb -0.27 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 3lin s VAL 86 CO 0.33 0.23 0.29 -0.76 0.00 0.00 0.00 175.10 175.19 3lin s LEU 87 N 1.22 4.24 0.14 3.92 1.43 0.03 -4.94 118.68 124.72 3lin s LEU 87 Ca -0.02 0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 53.43 3lin s LEU 87 Cb -0.17 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.69 3lin s LEU 87 CO -0.09 0.10 1.69 0.74 0.23 0.00 0.00 176.35 179.02 3lin h THR 88 N 4.70 1.20 -3.81 5.49 2.02 -1.94 -0.69 112.91 119.88 3lin h THR 88 Ca -0.41 -0.60 -0.09 0.00 0.77 0.00 0.00 66.41 66.08 3lin h THR 88 Cb 1.16 0.81 -0.12 0.00 -1.74 0.00 0.00 68.15 68.26 3lin h THR 88 CO 0.76 0.22 -0.25 -0.94 0.37 0.00 0.00 175.52 175.68 3lin s SER 89 N -5.87 -0.02 0.38 4.18 1.04 -1.26 -3.31 113.70 108.84 3lin s SER 89 Ca -0.13 -0.86 -0.12 0.00 0.48 0.00 0.00 55.95 55.32 3lin s SER 89 Cb 0.10 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.75 3lin s SER 89 CO 0.76 -0.96 0.70 0.00 0.98 0.00 0.00 173.24 174.72 3lin s LEU 91 N -3.13 4.05 -0.13 0.00 1.43 -0.47 -1.60 118.68 118.84 3lin s LEU 91 Ca 0.20 0.96 0.01 0.00 -1.03 0.00 0.00 54.13 54.26 3lin s LEU 91 Cb -0.04 -3.76 0.02 0.00 0.03 0.00 0.00 46.19 42.44 3lin s LEU 91 CO 0.14 -0.19 -0.13 -0.69 0.23 0.00 0.00 176.35 175.71 3lin s VAL 92 N -2.02 1.45 -0.45 -1.59 1.01 0.16 -1.24 120.40 117.72 3lin s VAL 92 Ca 0.48 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 3lin s VAL 92 Cb -0.11 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.93 3lin s VAL 92 CO 0.25 0.44 1.03 -0.62 0.00 0.00 0.00 175.10 176.19 3lin s ASP 93 N 1.39 6.60 0.07 3.32 2.15 0.49 -1.41 116.67 129.28 3lin s ASP 93 Ca 0.02 0.38 0.26 0.00 0.43 0.00 0.00 52.55 53.63 3lin s ASP 93 Cb -0.13 -2.50 0.61 0.00 -0.30 0.00 0.00 42.92 40.60 3lin s ASP 93 CO -0.08 -1.10 1.51 0.35 -0.17 0.00 0.00 175.17 175.68 3lin n THR 94 N 6.52 0.19 -0.04 1.71 -2.24 -0.04 -1.18 114.28 119.20 3lin n THR 94 Ca 0.09 -0.13 -0.09 0.00 -2.27 0.00 0.00 64.05 61.65 3lin n THR 94 Cb 0.49 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 3lin n THR 94 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3lin n LYS 95 N -1.80 0.20 -0.13 -0.78 5.02 -1.26 -4.82 118.16 114.59 3lin n LYS 95 Ca 0.05 0.09 0.04 0.00 -2.02 0.00 0.00 58.31 56.47 3lin n LYS 95 Cb 0.38 -0.84 0.12 0.00 -0.02 0.00 0.00 35.03 34.67 3lin n LYS 95 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3lin n ASN 96 N -3.51 2.69 -4.39 4.39 3.02 -1.26 -4.99 115.26 111.20 3lin n ASN 96 Ca -0.17 -1.97 -0.39 0.00 -0.03 0.00 0.00 54.58 52.02 3lin n ASN 96 Cb 0.55 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.49 3lin n ASN 96 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3lin n ASN 97 N 0.32 -2.28 -4.76 6.41 3.02 -1.26 -4.91 115.26 111.80 3lin n ASN 97 Ca 0.09 -1.15 -0.33 0.00 -0.03 0.00 0.00 54.58 53.16 3lin n ASN 97 Cb 0.38 -2.10 0.05 0.00 -0.61 0.00 0.00 39.78 37.50 3lin n ASN 97 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3lin s TRP 98 N -3.33 2.50 -0.10 3.10 0.51 -1.26 -4.63 118.94 115.73 3lin s TRP 98 Ca 0.75 1.56 -0.02 0.00 -2.12 0.00 0.00 56.10 56.27 3lin s TRP 98 Cb -0.42 -3.25 0.03 0.00 -0.81 0.00 0.00 33.47 29.02 3lin s TRP 98 CO 0.98 -1.87 0.00 0.00 -0.51 0.00 0.00 176.95 175.55 3lin s ALA 99 N -2.21 0.81 -0.07 0.98 0.00 -1.26 -3.04 121.76 116.97 3lin s ALA 99 Ca 0.69 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.40 3lin s ALA 99 Cb -0.23 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.08 3lin s ALA 99 CO 0.41 -0.58 -0.07 0.42 0.00 0.00 0.00 175.76 175.94 3lin s ILE 100 N 1.93 0.78 -0.38 0.00 1.01 0.15 -0.80 121.20 123.89 3lin s ILE 100 Ca 0.04 -0.22 -0.18 0.00 0.00 0.00 0.00 60.65 60.29 3lin s ILE 100 Cb -0.13 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 41.56 3lin s ILE 100 CO -0.06 0.29 0.52 -0.63 0.00 0.00 0.00 174.94 175.06 3lin s ILE 101 N 1.14 5.00 0.00 2.92 -1.09 0.12 -0.87 121.20 128.42 3lin s ILE 101 Ca -0.07 0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 3lin s ILE 101 Cb -0.14 -4.01 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 3lin s ILE 101 CO -0.01 -0.31 0.00 0.61 -1.23 0.00 0.00 174.94 174.00 3lin n GLY 102 N 4.89 1.44 0.20 6.18 0.00 -1.26 -1.21 105.19 115.44 3lin n GLY 102 Ca -0.05 -2.02 0.07 0.00 0.00 0.00 0.00 46.02 44.02 3lin n GLY 102 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3lin h ARG 103 N 0.00 0.00 -0.31 1.61 3.08 -1.25 -0.81 114.38 116.70 3lin h ARG 103 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3lin h ARG 103 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3lin h ARG 103 CO 0.00 0.32 0.19 0.38 -1.07 0.00 0.00 179.97 179.78 3lin h ASP 104 N 0.00 0.31 -0.10 7.04 2.03 -1.82 0.36 116.42 124.24 3lin h ASP 104 Ca -0.00 -0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.13 3lin h ASP 104 Cb 0.75 -0.07 0.01 0.00 -0.83 0.00 0.00 39.33 39.19 3lin h ASP 104 CO 0.04 0.23 -0.61 0.00 -1.03 0.00 0.00 179.24 177.87 3lin h ALA 105 N 1.13 0.20 -0.36 4.15 0.00 -1.83 -3.17 119.26 119.39 3lin h ALA 105 Ca 0.12 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3lin h ALA 105 Cb -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3lin h ALA 105 CO -0.05 0.46 0.09 -0.07 0.00 0.00 0.00 179.25 179.69 3lin h LEU 106 N 0.20 0.48 -0.47 0.00 3.38 -0.90 -1.75 115.31 116.26 3lin h LEU 106 Ca -0.05 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.89 3lin h LEU 106 Cb 1.26 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 3lin h LEU 106 CO 0.12 0.48 0.25 -0.61 0.09 0.00 0.00 178.44 178.78 3lin h GLN 107 N 0.52 0.49 0.00 1.13 4.15 -0.33 0.19 115.11 121.25 3lin h GLN 107 Ca 0.12 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 3lin h GLN 107 Cb 0.19 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 3lin h GLN 107 CO -0.00 0.32 -0.07 1.96 -1.93 0.00 0.00 178.83 179.11 3lin h GLN 108 N 0.50 0.00 -0.01 1.69 4.20 -1.30 -0.98 115.11 119.21 3lin h GLN 108 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3lin h GLN 108 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3lin h GLN 108 CO -0.13 0.07 -0.03 0.00 -0.67 0.00 0.00 178.83 178.07 3lin n GLN 110 N -0.28 -5.29 -2.26 0.00 6.02 -0.37 -4.97 117.38 110.23 3lin n GLN 110 Ca 0.19 0.87 -0.38 0.00 -0.01 0.00 0.00 57.00 57.68 3lin n GLN 110 Cb 0.29 -5.76 -0.01 0.00 1.02 0.00 0.00 30.24 25.78 3lin n GLN 110 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3lin s GLY 111 N -2.81 2.82 0.10 1.08 0.00 0.62 -5.02 107.32 104.11 3lin s GLY 111 Ca 0.36 0.97 0.03 0.00 0.00 0.00 0.00 44.72 46.07 3lin s GLY 111 CO 0.44 1.45 -0.08 -1.34 0.00 0.00 0.00 173.10 173.58 3lin s VAL 112 N -1.48 0.80 -0.11 1.40 -7.23 -1.26 -4.77 120.40 107.74 3lin s VAL 112 Ca 0.61 -1.77 -0.07 0.00 -1.81 0.00 0.00 61.98 58.94 3lin s VAL 112 Cb -0.30 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 3lin s VAL 112 CO 0.37 -0.72 0.15 -0.76 -0.31 0.00 0.00 175.10 173.83 3lin s LEU 113 N -2.73 4.39 -0.07 1.32 1.43 -1.26 -5.09 118.68 116.67 3lin s LEU 113 Ca 0.08 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 3lin s LEU 113 Cb 0.01 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 44.14 3lin s LEU 113 CO -0.02 0.40 -0.06 -0.47 0.23 0.00 0.00 176.35 176.43 3lin s TYR 114 N -1.05 1.06 -0.21 0.29 5.04 -1.26 -5.11 117.35 116.12 3lin s TYR 114 Ca 0.16 -0.40 0.02 0.00 -2.44 0.00 0.00 57.07 54.41 3lin s TYR 114 Cb -0.12 -0.91 0.04 0.00 0.35 0.00 0.00 41.96 41.31 3lin s TYR 114 CO 0.05 -0.32 -0.16 -0.51 -1.34 0.00 0.00 175.55 173.27 3lin s LEU 115 N 1.27 2.62 0.00 6.97 1.02 -1.26 -5.17 118.68 124.13 3lin s LEU 115 Ca -0.05 -0.94 0.02 0.00 0.02 0.00 0.00 54.13 53.18 3lin s LEU 115 Cb -0.14 -1.49 0.10 0.00 0.02 0.00 0.00 46.19 44.68 3lin s LEU 115 CO -0.02 -0.08 0.59 -0.81 0.02 0.00 0.00 176.35 176.04