#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 5.08 -0.32 0.52 1.01 -1.26 -5.06 120.40 120.37 3lin s VAL 2 Ca 0.00 1.21 -0.03 0.00 0.00 0.00 0.00 61.98 63.16 3lin s VAL 2 Cb 0.00 -3.94 0.05 0.00 0.00 0.00 0.00 36.38 32.49 3lin s VAL 2 CO 0.00 0.21 0.04 -0.63 0.00 0.00 0.00 175.10 174.73 3lin s ILE 3 N 1.20 3.19 0.75 2.22 1.01 -1.26 -5.11 121.20 123.21 3lin s ILE 3 Ca 0.31 -1.38 -0.13 0.00 0.00 0.00 0.00 60.65 59.44 3lin s ILE 3 Cb -0.16 -2.86 0.05 0.00 0.01 0.00 0.00 42.46 39.50 3lin s ILE 3 CO 0.13 -0.17 1.14 -2.16 0.00 0.00 0.00 174.94 173.87 3lin s PRO 4 N 1.28 2.19 -0.08 2.79 0.04 -1.26 -5.03 135.00 134.92 3lin s PRO 4 Ca -0.03 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.51 3lin s PRO 4 Cb -0.20 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 3lin s PRO 4 CO -0.00 -1.74 -0.17 -0.51 0.04 0.00 0.00 177.00 174.62 3lin s LEU 5 N -5.49 2.53 -0.19 -3.56 1.43 -1.26 -4.91 118.68 107.23 3lin s LEU 5 Ca 0.68 -0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 53.36 3lin s LEU 5 Cb -0.22 -1.52 0.08 0.00 0.03 0.00 0.00 46.19 44.56 3lin s LEU 5 CO 0.49 0.26 0.44 -0.62 0.23 0.00 0.00 176.35 177.14 3lin s ASP 6 N -0.21 -0.43 0.53 2.29 2.15 -1.26 -5.04 116.67 114.69 3lin s ASP 6 Ca -0.00 1.00 0.22 0.00 0.43 0.00 0.00 52.55 54.19 3lin s ASP 6 Cb -0.13 1.13 1.42 0.00 -0.30 0.00 0.00 42.92 45.04 3lin s ASP 6 CO 0.03 -0.22 2.14 1.55 -0.17 0.00 0.00 175.17 178.51 3lin h PRO 7 N 7.65 0.00 -0.00 4.34 0.13 -2.03 -2.11 132.00 139.98 3lin h PRO 7 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3lin h PRO 7 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3lin h PRO 7 CO 0.20 0.06 -0.09 0.00 -0.23 0.00 0.00 178.00 177.93 3lin n ALA 8 N -2.43 2.56 -3.77 -0.56 0.00 -1.26 -4.71 120.51 110.34 3lin n ALA 8 Ca -0.03 -0.15 -0.28 0.00 0.00 0.00 0.00 53.44 52.99 3lin n ALA 8 Cb 0.14 -1.41 -0.16 0.00 0.00 0.00 0.00 19.45 18.02 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 -2.97 0.83 0.14 0.00 0.52 -0.79 -5.12 118.95 111.55 3lin s ARG 9 Ca 0.14 -0.46 -0.31 0.00 -0.52 0.00 0.00 55.73 54.59 3lin s ARG 9 Cb 0.19 -2.07 -0.10 0.00 0.52 0.00 0.00 34.95 33.49 3lin s ARG 9 CO 0.56 -0.59 1.59 1.03 0.02 0.00 0.00 175.30 177.91 3lin s ARG 10 N 1.79 4.21 -0.48 3.54 0.52 -1.26 -4.41 118.95 122.86 3lin s ARG 10 Ca -0.01 2.35 -0.28 0.00 -0.52 0.00 0.00 55.73 57.28 3lin s ARG 10 Cb -0.17 -3.28 -0.00 0.00 0.52 0.00 0.00 34.95 32.02 3lin s ARG 10 CO -0.07 -0.64 1.58 -1.25 0.02 0.00 0.00 175.30 174.93 3lin s PRO 11 N 1.58 3.25 0.21 3.54 0.04 -1.26 -4.98 135.00 137.38 3lin s PRO 11 Ca 0.71 0.82 0.10 0.00 0.04 0.00 0.00 61.00 62.67 3lin s PRO 11 Cb -0.43 -4.16 -0.04 0.00 0.04 0.00 0.00 34.50 29.91 3lin s PRO 11 CO 0.32 -1.97 -0.14 0.14 0.04 0.00 0.00 177.00 175.39 3lin s VAL 12 N 6.64 2.90 -0.02 -0.36 -7.23 -1.26 -0.49 120.40 120.58 3lin s VAL 12 Ca 0.63 -1.92 -0.04 0.00 -1.81 0.00 0.00 61.98 58.85 3lin s VAL 12 Cb -0.14 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.34 3lin s VAL 12 CO 0.28 -0.20 0.08 -0.51 -0.31 0.00 0.00 175.10 174.44 3lin s ILE 13 N -1.93 0.03 0.02 -0.62 2.07 -0.45 -4.93 121.20 115.39 3lin s ILE 13 Ca 0.26 -0.26 -0.30 0.00 -1.41 0.00 0.00 60.65 58.94 3lin s ILE 13 Cb -0.08 -0.21 -0.05 0.00 0.13 0.00 0.00 42.46 42.25 3lin s ILE 13 CO 0.14 -0.14 1.23 -0.54 -1.91 0.00 0.00 174.94 173.73 3lin s LYS 14 N -0.43 4.39 0.01 3.50 3.01 -1.26 0.13 119.74 129.08 3lin s LYS 14 Ca -0.05 1.78 0.03 0.00 -1.01 0.00 0.00 55.97 56.72 3lin s LYS 14 Cb -0.03 -3.43 -0.01 0.00 -1.01 0.00 0.00 37.83 33.34 3lin s LYS 14 CO 0.00 -0.36 -0.09 0.00 0.51 0.00 0.00 175.35 175.41 3lin s ALA 15 N 1.56 0.75 -0.27 5.17 0.00 0.08 -4.22 121.76 124.82 3lin s ALA 15 Ca 0.59 -0.49 -0.14 0.00 0.00 0.00 0.00 51.96 51.91 3lin s ALA 15 Cb -0.29 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 3lin s ALA 15 CO 0.27 0.15 0.35 -1.14 0.00 0.00 0.00 175.76 175.38 3lin s GLN 16 N -0.56 3.98 -0.17 0.00 0.74 0.28 -1.22 119.66 122.71 3lin s GLN 16 Ca 0.01 -0.03 -0.03 0.00 0.05 0.00 0.00 55.36 55.36 3lin s GLN 16 Cb -0.05 -3.66 -0.02 0.00 1.10 0.00 0.00 33.01 30.38 3lin s GLN 16 CO 0.00 -0.28 -0.06 0.08 -0.55 0.00 0.00 175.29 174.48 3lin s VAL 17 N 2.03 3.49 -0.34 1.34 1.01 0.13 -0.45 120.40 127.61 3lin s VAL 17 Ca 0.14 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 3lin s VAL 17 Cb -0.16 -2.53 0.07 0.00 0.00 0.00 0.00 36.38 33.75 3lin s VAL 17 CO 0.10 0.48 0.07 -0.62 0.00 0.00 0.00 175.10 175.13 3lin s ASP 18 N 0.72 5.03 0.00 3.32 2.15 0.16 -1.20 116.67 126.85 3lin s ASP 18 Ca -0.03 -1.49 0.30 0.00 0.43 0.00 0.00 52.55 51.76 3lin s ASP 18 Cb -0.15 -1.76 1.44 0.00 -0.30 0.00 0.00 42.92 42.16 3lin s ASP 18 CO 0.02 -0.35 1.98 0.35 -0.17 0.00 0.00 175.17 177.01 3lin n THR 19 N 4.62 0.00 -1.35 1.71 -2.24 -1.26 -1.65 114.28 114.12 3lin n THR 19 Ca -0.10 -0.04 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 3lin n THR 19 Cb 0.43 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.97 -1.32 0.00 -0.78 6.02 -1.26 -4.82 117.38 114.25 3lin n GLN 20 Ca 0.17 0.89 0.02 0.00 -0.01 0.00 0.00 57.00 58.07 3lin n GLN 20 Cb 0.24 -5.12 -0.02 0.00 1.02 0.00 0.00 30.24 26.36 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 -2.41 0.00 -3.50 5.09 -2.24 -1.26 -5.07 114.28 104.89 3lin n THR 21 Ca -0.12 -0.41 -0.05 0.00 -2.27 0.00 0.00 64.05 61.20 3lin n THR 21 Cb 0.51 1.01 0.02 0.00 -2.10 0.00 0.00 70.33 69.78 3lin n THR 21 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3lin n SER 22 N -0.92 -1.32 -4.76 3.42 3.41 -1.26 -4.56 113.62 107.63 3lin n SER 22 Ca 0.01 -1.89 -0.32 0.00 -0.26 0.00 0.00 58.87 56.41 3lin n SER 22 Cb 0.07 2.20 0.08 0.00 -0.26 0.00 0.00 64.21 66.30 3lin n SER 22 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3lin s HIS 23 N -4.79 2.48 0.45 7.33 0.00 -1.26 -4.59 115.29 114.90 3lin s HIS 23 Ca 0.10 1.58 -0.25 0.00 -3.00 0.00 0.00 55.06 53.49 3lin s HIS 23 Cb -0.03 -3.14 -0.08 0.00 -4.00 0.00 0.00 32.58 25.33 3lin s HIS 23 CO 0.07 -1.89 1.33 -2.14 -1.00 0.00 0.00 174.74 171.10 3lin s PRO 24 N -4.52 3.73 0.08 -0.38 0.02 -1.26 -4.82 135.00 127.85 3lin s PRO 24 Ca 0.65 2.19 0.03 0.00 0.02 0.00 0.00 61.00 63.89 3lin s PRO 24 Cb -0.20 -2.61 -0.03 0.00 0.02 0.00 0.00 34.50 31.68 3lin s PRO 24 CO 0.50 -0.70 -0.09 0.15 -0.33 0.00 0.00 177.00 176.53 3lin s LYS 25 N -2.46 0.75 -0.10 5.54 1.02 -0.34 -4.90 119.74 119.25 3lin s LYS 25 Ca 0.61 -1.04 -0.22 0.00 0.02 0.00 0.00 55.97 55.34 3lin s LYS 25 Cb -0.39 -0.45 -0.04 0.00 -0.52 0.00 0.00 37.83 36.44 3lin s LYS 25 CO 0.49 0.07 0.63 0.99 -0.92 0.00 0.00 175.35 176.61 3lin s THR 26 N -2.16 5.08 0.18 2.17 2.01 -1.26 0.18 115.64 121.83 3lin s THR 26 Ca 0.01 1.27 0.05 0.00 0.31 0.00 0.00 61.69 63.33 3lin s THR 26 Cb -0.05 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 3lin s THR 26 CO -0.00 0.25 -0.09 0.27 -0.69 0.00 0.00 174.62 174.36 3lin s ILE 27 N 0.93 1.28 -0.25 1.82 -4.36 -0.36 -4.96 121.20 115.29 3lin s ILE 27 Ca 0.33 -2.09 -0.07 0.00 -0.26 0.00 0.00 60.65 58.56 3lin s ILE 27 Cb -0.17 -2.00 -0.03 0.00 1.25 0.00 0.00 42.46 41.52 3lin s ILE 27 CO 0.15 -0.62 0.07 -0.70 0.24 0.00 0.00 174.94 174.08 3lin s GLU 28 N -3.75 3.62 -0.04 0.37 2.12 -1.26 -0.74 118.70 119.02 3lin s GLU 28 Ca 0.20 -0.50 0.06 0.00 0.36 0.00 0.00 54.97 55.10 3lin s GLU 28 Cb 0.02 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 31.06 3lin s GLU 28 CO 0.04 -0.21 -0.24 0.00 -0.54 0.00 0.00 175.26 174.31 3lin s ALA 29 N 1.61 2.23 0.11 6.30 0.00 0.12 -4.63 121.76 127.50 3lin s ALA 29 Ca 0.06 -1.06 -0.31 0.00 0.00 0.00 0.00 51.96 50.65 3lin s ALA 29 Cb -0.15 -0.68 -0.08 0.00 0.00 0.00 0.00 23.12 22.21 3lin s ALA 29 CO 0.04 0.47 1.45 -1.17 0.00 0.00 0.00 175.76 176.55 3lin s LEU 30 N -0.39 4.36 -0.53 0.00 2.96 -0.66 -1.35 118.68 123.08 3lin s LEU 30 Ca 0.03 2.37 -0.25 0.00 -0.22 0.00 0.00 54.13 56.06 3lin s LEU 30 Cb -0.12 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 43.02 3lin s LEU 30 CO 0.02 -0.71 0.97 -0.76 -1.32 0.00 0.00 176.35 174.55 3lin s LEU 31 N 1.41 3.98 -0.39 -0.68 1.43 0.36 -0.54 118.68 124.25 3lin s LEU 31 Ca 0.66 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.66 3lin s LEU 31 Cb -0.38 -3.00 0.11 0.00 0.03 0.00 0.00 46.19 42.96 3lin s LEU 31 CO 0.30 -1.21 0.12 -0.62 0.23 0.00 0.00 176.35 175.17 3lin s ASP 32 N 2.68 4.50 0.34 2.29 -1.08 -0.76 -4.82 116.67 119.82 3lin s ASP 32 Ca 0.34 -2.33 0.27 0.00 -0.52 0.00 0.00 52.55 50.30 3lin s ASP 32 Cb -0.11 -1.51 1.10 0.00 -1.46 0.00 0.00 42.92 40.95 3lin s ASP 32 CO 0.22 -0.34 1.79 0.71 0.52 0.00 0.00 175.17 178.08 3lin h THR 33 N 6.24 0.00 -0.00 1.71 1.35 -1.95 -2.36 112.91 117.91 3lin h THR 33 Ca -0.06 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3lin h THR 33 Cb 0.98 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3lin h THR 33 CO 0.55 0.00 -0.02 0.61 -0.25 0.00 0.00 175.52 176.41 3lin n GLY 34 N -0.00 -1.07 3.62 5.82 0.00 -1.26 -4.78 105.19 107.52 3lin n GLY 34 Ca 0.02 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.33 3.56 0.40 4.61 0.00 -0.89 -4.95 121.76 122.17 3lin s ALA 35 Ca 0.36 -0.83 0.11 0.00 0.00 0.00 0.00 51.96 51.59 3lin s ALA 35 Cb 0.21 -2.59 0.82 0.00 0.00 0.00 0.00 23.12 21.56 3lin s ALA 35 CO 0.43 -0.50 1.93 -0.44 0.00 0.00 0.00 175.76 177.17 3lin h ASP 36 N 7.97 0.17 -4.84 0.00 3.32 -1.88 -0.60 116.42 120.57 3lin h ASP 36 Ca -0.34 -0.03 -0.21 0.00 0.02 0.00 0.00 57.03 56.46 3lin h ASP 36 Cb 1.17 -0.05 -0.18 0.00 0.22 0.00 0.00 39.33 40.49 3lin h ASP 36 CO 0.64 0.34 -0.71 -0.04 -1.72 0.00 0.00 179.24 177.76 3lin s MET 37 N -4.69 0.60 0.36 3.56 -1.94 -1.26 -3.77 119.30 112.16 3lin s MET 37 Ca -0.05 -1.01 -0.20 0.00 -1.71 0.00 0.00 55.69 52.72 3lin s MET 37 Cb 0.15 -0.10 -0.10 0.00 2.01 0.00 0.00 34.83 36.80 3lin s MET 37 CO 0.73 -0.02 0.87 0.99 -0.01 0.00 0.00 175.02 177.57 3lin s THR 38 N -2.61 4.45 -0.09 2.05 2.01 -1.26 -4.34 115.64 115.85 3lin s THR 38 Ca -0.01 1.38 0.03 0.00 0.31 0.00 0.00 61.69 63.41 3lin s THR 38 Cb -0.02 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.80 3lin s THR 38 CO -0.04 -0.14 -0.18 -0.69 -0.69 0.00 0.00 174.62 172.88 3lin s VAL 39 N -1.95 1.65 0.13 3.82 1.01 -0.04 -0.78 120.40 124.23 3lin s VAL 39 Ca 0.56 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.86 3lin s VAL 39 Cb -0.12 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3lin s VAL 39 CO 0.17 0.47 -0.20 0.27 0.00 0.00 0.00 175.10 175.81 3lin s ILE 40 N 0.63 1.78 0.36 2.22 -4.36 -0.40 -0.53 121.20 120.89 3lin s ILE 40 Ca -0.14 -1.69 -0.27 0.00 -0.26 0.00 0.00 60.65 58.29 3lin s ILE 40 Cb -0.16 -1.68 -0.09 0.00 1.25 0.00 0.00 42.46 41.77 3lin s ILE 40 CO 0.04 -0.15 1.18 -2.16 0.24 0.00 0.00 174.94 174.09 3lin s PRO 41 N -2.25 4.27 0.60 0.37 0.04 -1.16 -0.51 135.00 136.36 3lin s PRO 41 Ca 0.10 1.90 0.37 0.00 0.04 0.00 0.00 61.00 63.42 3lin s PRO 41 Cb -0.08 -2.88 1.93 0.00 0.04 0.00 0.00 34.50 33.50 3lin s PRO 41 CO 0.05 -0.15 2.21 0.97 0.04 0.00 0.00 177.00 180.12 3lin h ILE 42 N 2.66 0.15 0.00 0.56 2.10 -1.56 -2.50 117.51 118.92 3lin h ILE 42 Ca -0.48 -0.24 -0.00 0.00 1.08 0.00 0.00 64.86 65.22 3lin h ILE 42 Cb 1.23 1.20 -0.00 0.00 -1.09 0.00 0.00 36.82 38.16 3lin h ILE 42 CO 0.64 0.02 -0.00 0.00 -1.08 0.00 0.00 178.15 177.73 3lin h ALA 43 N 1.98 1.03 -0.01 0.18 0.00 -1.91 -0.33 119.26 120.19 3lin h ALA 43 Ca -0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3lin h ALA 43 Cb 0.20 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3lin h ALA 43 CO 0.00 0.00 -0.30 -0.07 0.00 0.00 0.00 179.25 178.89 3lin h LEU 44 N 0.00 0.02 -9.94 0.00 3.38 -1.84 -3.45 115.31 103.48 3lin h LEU 44 Ca -0.00 -0.01 -0.54 0.00 0.09 0.00 0.00 57.88 57.42 3lin h LEU 44 Cb 0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3lin h LEU 44 CO 0.00 0.32 -0.09 -0.36 0.09 0.00 0.00 178.44 178.40 3lin s PHE 45 N -4.37 3.47 0.27 1.13 0.40 -0.14 -4.78 117.98 113.97 3lin s PHE 45 Ca -0.03 0.95 -0.31 0.00 -0.60 0.00 0.00 56.93 56.94 3lin s PHE 45 Cb 0.15 -2.31 -0.12 0.00 0.51 0.00 0.00 43.02 41.24 3lin s PHE 45 CO 0.72 0.30 1.54 -1.13 0.70 0.00 0.00 175.22 177.34 3lin n SER 46 N 0.09 3.46 0.00 1.36 3.41 -1.26 -4.87 113.62 115.81 3lin n SER 46 Ca -0.01 1.14 0.03 0.00 -0.26 0.00 0.00 58.87 59.77 3lin n SER 46 Cb 0.52 -1.53 0.17 0.00 -0.26 0.00 0.00 64.21 63.11 3lin n SER 46 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3lin n SER 47 N 2.28 0.00 -2.44 4.04 3.41 -1.26 -1.92 113.62 117.73 3lin n SER 47 Ca 0.10 -0.22 -0.13 0.00 -0.26 0.00 0.00 58.87 58.36 3lin n SER 47 Cb 0.35 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.33 3lin n SER 47 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3lin n ASN 48 N -0.94 3.25 -4.79 4.04 6.94 -1.26 -5.10 115.26 117.40 3lin n ASN 48 Ca 0.04 -2.94 -0.37 0.00 -0.02 0.00 0.00 54.58 51.30 3lin n ASN 48 Cb 0.02 -0.42 -0.06 0.00 -2.36 0.00 0.00 39.78 36.96 3lin n ASN 48 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3lin s THR 49 N -4.23 4.30 -0.13 5.53 2.01 -0.81 -5.01 115.64 117.31 3lin s THR 49 Ca 0.39 1.69 -0.29 0.00 0.31 0.00 0.00 61.69 63.78 3lin s THR 49 Cb 0.37 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 3lin s THR 49 CO -0.01 0.16 1.24 -2.84 -0.69 0.00 0.00 174.62 172.48 3lin s PRO 50 N -2.03 4.27 -0.04 4.92 0.02 -1.26 -5.00 135.00 135.89 3lin s PRO 50 Ca 0.48 1.66 0.03 0.00 0.02 0.00 0.00 61.00 63.19 3lin s PRO 50 Cb -0.18 -3.69 0.01 0.00 0.02 0.00 0.00 34.50 30.65 3lin s PRO 50 CO 0.23 -0.62 -0.10 -0.51 -0.33 0.00 0.00 177.00 175.67 3lin s LEU 51 N 3.06 1.75 0.17 -5.54 1.43 -1.26 -4.13 118.68 114.16 3lin s LEU 51 Ca 0.55 -0.23 -0.25 0.00 -1.03 0.00 0.00 54.13 53.17 3lin s LEU 51 Cb -0.22 -0.65 -0.08 0.00 0.03 0.00 0.00 46.19 45.26 3lin s LEU 51 CO 0.17 0.06 0.78 -0.54 0.23 0.00 0.00 176.35 177.06 3lin s LYS 52 N 0.30 4.58 0.60 1.70 1.02 -0.20 -4.79 119.74 122.94 3lin s LYS 52 Ca -0.06 1.17 -0.18 0.00 0.02 0.00 0.00 55.97 56.92 3lin s LYS 52 Cb -0.11 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 33.92 3lin s LYS 52 CO 0.01 0.57 1.16 -0.80 -0.92 0.00 0.00 175.35 175.37 3lin s ASN 53 N -1.16 5.29 0.10 2.83 0.01 -1.26 0.08 114.94 120.84 3lin s ASN 53 Ca 0.36 2.25 -0.21 0.00 -0.71 0.00 0.00 52.86 54.55 3lin s ASN 53 Cb -0.23 -2.58 0.05 0.00 0.41 0.00 0.00 41.25 38.90 3lin s ASN 53 CO 0.26 -1.51 0.51 0.28 -1.51 0.00 0.00 177.10 175.13 3lin s THR 54 N -1.80 0.03 -0.10 1.60 -1.32 -1.25 -4.71 115.64 108.09 3lin s THR 54 Ca 0.74 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.94 3lin s THR 54 Cb -0.26 -1.04 -0.02 0.00 -1.51 0.00 0.00 72.50 69.66 3lin s THR 54 CO 0.33 -0.15 -0.10 -0.55 -2.21 0.00 0.00 174.62 171.94 3lin s SER 55 N -2.45 4.35 -0.01 8.08 0.15 -1.26 -4.52 113.70 118.04 3lin s SER 55 Ca -0.01 -0.17 0.05 0.00 0.70 0.00 0.00 55.95 56.52 3lin s SER 55 Cb 0.00 -1.33 -0.01 0.00 -1.71 0.00 0.00 66.02 62.97 3lin s SER 55 CO -0.08 0.27 -0.15 -0.69 1.20 0.00 0.00 173.24 173.78 3lin s VAL 56 N -0.25 1.21 -0.17 4.45 1.01 0.01 -4.99 120.40 121.67 3lin s VAL 56 Ca 0.03 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 3lin s VAL 56 Cb -0.13 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3lin s VAL 56 CO 0.03 0.34 0.41 -0.22 0.00 0.00 0.00 175.10 175.66 3lin s LEU 57 N -0.34 4.20 0.00 3.92 2.96 -1.26 -0.35 118.68 127.82 3lin s LEU 57 Ca 0.05 0.61 0.04 0.00 -0.22 0.00 0.00 54.13 54.61 3lin s LEU 57 Cb -0.06 -2.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.06 3lin s LEU 57 CO -0.00 -0.03 0.13 0.61 -1.32 0.00 0.00 176.35 175.73 3lin n GLY 58 N 3.63 3.33 0.28 7.98 0.00 0.10 -4.99 105.19 115.52 3lin n GLY 58 Ca -0.08 -2.10 -0.07 0.00 0.00 0.00 0.00 46.02 43.77 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 1.60 0.85 0.00 4.61 0.00 -2.03 -1.98 119.26 122.32 3lin h ALA 59 Ca -0.29 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3lin h ALA 59 Cb 1.10 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3lin h ALA 59 CO 0.46 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.56 3lin n GLY 60 N -0.92 1.44 3.19 0.00 0.00 -1.26 -4.98 105.19 102.67 3lin n GLY 60 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.28 -1.76 3.70 -0.02 0.00 -0.74 -4.93 105.19 101.72 3lin n GLY 61 Ca 0.00 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 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 0.00 4.47 -0.09 1.61 2.00 -1.26 -0.72 119.66 125.67 3lin s GLN 62 Ca 0.00 1.28 0.04 0.00 -2.00 0.00 0.00 55.36 54.68 3lin s GLN 62 Cb 0.00 -3.49 0.00 0.00 0.80 0.00 0.00 33.01 30.32 3lin s GLN 62 CO 0.00 -0.14 -0.22 -0.08 -0.50 0.00 0.00 175.29 174.35 3lin s THR 63 N 1.38 1.93 -1.43 -0.34 -1.32 0.53 -4.98 115.64 111.41 3lin s THR 63 Ca 0.47 -0.95 0.17 0.00 -1.21 0.00 0.00 61.69 60.18 3lin s THR 63 Cb -0.19 -1.68 -0.04 0.00 -1.51 0.00 0.00 72.50 69.08 3lin s THR 63 CO 0.22 0.53 0.87 0.00 -2.21 0.00 0.00 174.62 174.03 3lin n GLN 64 N 3.55 1.56 -0.07 7.08 6.02 -1.26 -0.81 117.38 133.46 3lin n GLN 64 Ca -0.20 -0.67 -0.07 0.00 -0.01 0.00 0.00 57.00 56.05 3lin n GLN 64 Cb 0.53 -1.31 -0.11 0.00 1.02 0.00 0.00 30.24 30.36 3lin n GLN 64 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3lin n ASP 65 N -0.37 1.55 0.14 1.08 8.00 -1.26 -4.55 116.55 121.14 3lin n ASP 65 Ca 0.06 -0.01 -0.00 0.00 0.71 0.00 0.00 54.79 55.55 3lin n ASP 65 Cb 0.35 0.78 0.18 0.00 -0.02 0.00 0.00 41.12 42.41 3lin n ASP 65 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 3lin h HIS 66 N 0.00 0.00 -4.15 1.24 3.86 -1.90 -3.45 115.15 110.74 3lin h HIS 66 Ca -0.39 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.29 3lin h HIS 66 Cb 1.86 0.00 -0.30 0.00 1.06 0.00 0.00 27.41 30.03 3lin h HIS 66 CO 0.00 0.59 -0.83 -0.06 0.86 0.00 0.00 177.93 178.49 3lin s PHE 67 N -3.56 1.54 0.41 2.45 0.40 -1.26 -1.33 117.98 116.63 3lin s PHE 67 Ca -0.01 -0.34 0.07 0.00 -0.60 0.00 0.00 56.93 56.05 3lin s PHE 67 Cb 0.12 -1.01 -0.05 0.00 0.51 0.00 0.00 43.02 42.59 3lin s PHE 67 CO 0.75 -0.07 0.20 0.15 0.70 0.00 0.00 175.22 176.95 3lin s LYS 68 N -0.23 2.25 -0.06 0.44 1.02 -0.62 -3.78 119.74 118.76 3lin s LYS 68 Ca 0.03 -1.82 -0.00 0.00 0.02 0.00 0.00 55.97 54.19 3lin s LYS 68 Cb -0.08 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.18 3lin s LYS 68 CO 0.00 -0.13 -0.01 -0.51 -0.92 0.00 0.00 175.35 173.78 3lin s LEU 69 N -3.93 3.48 0.76 3.17 1.43 0.11 0.29 118.68 124.00 3lin s LEU 69 Ca 0.42 0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 53.45 3lin s LEU 69 Cb 0.03 -1.84 0.06 0.00 0.03 0.00 0.00 46.19 44.47 3lin s LEU 69 CO 0.23 0.35 1.20 0.42 0.23 0.00 0.00 176.35 178.78 3lin s THR 70 N -0.92 2.28 -0.14 5.49 -4.23 -0.63 -1.03 115.64 116.46 3lin s THR 70 Ca 0.15 0.13 0.08 0.00 -1.18 0.00 0.00 61.69 60.86 3lin s THR 70 Cb -0.11 -2.62 -0.23 0.00 1.34 0.00 0.00 72.50 70.87 3lin s THR 70 CO 0.04 -0.08 0.29 -1.20 -0.54 0.00 0.00 174.62 173.14 3lin n SER 71 N -2.98 1.12 -4.66 3.99 7.64 -1.26 -4.72 113.62 112.74 3lin n SER 71 Ca 0.13 0.17 -0.27 0.00 1.01 0.00 0.00 58.87 59.91 3lin n SER 71 Cb 0.50 -0.03 -0.08 0.00 -1.01 0.00 0.00 64.21 63.60 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 -6.22 3.32 0.63 -3.43 1.43 -1.26 -5.03 118.68 108.10 3lin s LEU 72 Ca -0.15 -0.37 -0.18 0.00 -1.03 0.00 0.00 54.13 52.40 3lin s LEU 72 Cb 0.07 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 3lin s LEU 72 CO 0.78 0.10 0.74 -2.65 0.23 0.00 0.00 176.35 175.55 3lin n PRO 73 N -0.01 0.61 -4.76 1.29 -0.02 -1.21 -4.77 135.00 126.13 3lin n PRO 73 Ca -0.10 0.25 -0.33 0.00 -2.02 0.00 0.00 63.50 61.30 3lin n PRO 73 Cb 0.55 -1.96 -0.13 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.68 3.32 -0.16 -1.45 1.01 -0.07 -4.61 120.40 116.76 3lin s VAL 74 Ca 0.72 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 3lin s VAL 74 Cb -0.41 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3lin s VAL 74 CO 0.51 0.58 -0.04 -0.76 0.00 0.00 0.00 175.10 175.40 3lin s LEU 75 N -0.57 3.24 -0.10 3.92 1.02 -0.66 -0.37 118.68 125.17 3lin s LEU 75 Ca 0.08 -0.14 0.01 0.00 0.02 0.00 0.00 54.13 54.10 3lin s LEU 75 Cb -0.12 -1.78 0.02 0.00 0.02 0.00 0.00 46.19 44.33 3lin s LEU 75 CO 0.02 0.16 -0.11 -0.63 0.02 0.00 0.00 176.35 175.80 3lin s ILE 76 N 0.43 1.21 -0.17 -0.59 1.01 0.22 0.36 121.20 123.65 3lin s ILE 76 Ca -0.04 -0.46 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 3lin s ILE 76 Cb -0.14 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 3lin s ILE 76 CO 0.03 0.39 -0.02 -0.13 0.00 0.00 0.00 174.94 175.20 3lin s ARG 77 N 1.17 3.65 0.20 2.79 0.52 0.41 -0.59 118.95 127.09 3lin s ARG 77 Ca -0.04 -0.52 -0.05 0.00 -0.52 0.00 0.00 55.73 54.60 3lin s ARG 77 Cb -0.14 -2.98 -0.06 0.00 0.52 0.00 0.00 34.95 32.29 3lin s ARG 77 CO -0.03 0.14 0.45 -0.51 0.02 0.00 0.00 175.30 175.38 3lin s LEU 78 N 0.63 4.20 0.38 2.53 1.43 -1.26 -0.56 118.68 126.02 3lin s LEU 78 Ca -0.02 0.64 0.10 0.00 -1.03 0.00 0.00 54.13 53.82 3lin s LEU 78 Cb -0.14 -3.40 0.86 0.00 0.03 0.00 0.00 46.19 43.53 3lin s LEU 78 CO 0.02 -0.04 1.92 -0.65 0.23 0.00 0.00 176.35 177.83 3lin h PRO 79 N 2.38 0.61 -0.65 1.29 0.11 -2.00 -2.92 132.00 130.83 3lin h PRO 79 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3lin h PRO 79 Cb 1.18 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3lin h PRO 79 CO 0.70 0.41 0.00 1.97 -0.21 0.00 0.00 178.00 180.86 3lin n PHE 80 N -4.51 0.99 -3.80 0.65 -1.74 -1.26 -4.88 117.46 102.91 3lin n PHE 80 Ca 0.14 -0.46 -0.13 0.00 -0.56 0.00 0.00 57.45 56.45 3lin n PHE 80 Cb 0.39 -0.06 -0.11 0.00 1.52 0.00 0.00 39.48 41.23 3lin n PHE 80 CO 0.00 0.00 0.00 -0.98 -0.56 0.00 0.00 176.76 175.22 3lin s ARG 81 N -1.31 0.41 0.02 3.97 1.70 -1.10 -5.07 118.95 117.58 3lin s ARG 81 Ca 0.44 0.10 -0.17 0.00 -0.47 0.00 0.00 55.73 55.63 3lin s ARG 81 Cb 0.24 0.19 -0.30 0.00 -0.57 0.00 0.00 34.95 34.51 3lin s ARG 81 CO 0.28 -0.08 1.04 1.79 -1.08 0.00 0.00 175.30 177.25 3lin h THR 82 N 4.48 1.34 -3.38 4.99 1.35 -1.90 -3.39 112.91 116.40 3lin h THR 82 Ca -0.28 -2.47 -0.53 0.00 -0.55 0.00 0.00 66.41 62.59 3lin h THR 82 Cb 1.19 2.85 0.06 0.00 -1.73 0.00 0.00 68.15 70.52 3lin h THR 82 CO 0.37 0.74 0.78 -0.89 -0.25 0.00 0.00 175.52 176.27 3lin s THR 83 N -2.83 2.54 0.42 6.82 2.01 -1.26 -5.00 115.64 118.34 3lin s THR 83 Ca -0.11 0.46 -0.23 0.00 0.31 0.00 0.00 61.69 62.12 3lin s THR 83 Cb 0.04 -3.29 -0.09 0.00 0.01 0.00 0.00 72.50 69.17 3lin s THR 83 CO 0.90 0.07 1.05 -2.16 -0.69 0.00 0.00 174.62 173.80 3lin s PRO 84 N -0.43 4.07 0.20 4.92 0.04 -1.26 -4.74 135.00 137.81 3lin s PRO 84 Ca 0.60 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.82 3lin s PRO 84 Cb -0.43 -2.43 -0.08 0.00 0.04 0.00 0.00 34.50 31.60 3lin s PRO 84 CO 0.44 -0.21 1.19 0.42 0.04 0.00 0.00 177.00 178.87 3lin s ILE 85 N -1.74 3.53 -0.19 0.56 1.01 0.24 -4.89 121.20 119.72 3lin s ILE 85 Ca 0.60 1.33 0.01 0.00 0.00 0.00 0.00 60.65 62.59 3lin s ILE 85 Cb -0.21 -3.85 0.04 0.00 0.01 0.00 0.00 42.46 38.45 3lin s ILE 85 CO 0.26 0.23 -0.13 -0.69 0.00 0.00 0.00 174.94 174.60 3lin s VAL 86 N -0.26 1.78 -0.22 2.92 1.01 -1.26 -0.61 120.40 123.76 3lin s VAL 86 Ca 0.51 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 3lin s VAL 86 Cb -0.33 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 3lin s VAL 86 CO 0.38 0.29 0.13 -0.76 0.00 0.00 0.00 175.10 175.14 3lin s LEU 87 N 1.36 4.10 0.23 3.92 1.43 0.51 -4.95 118.68 125.27 3lin s LEU 87 Ca 0.01 0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 53.17 3lin s LEU 87 Cb -0.15 -2.08 0.25 0.00 0.03 0.00 0.00 46.19 44.24 3lin s LEU 87 CO -0.09 0.12 1.86 0.74 0.23 0.00 0.00 176.35 179.21 3lin h THR 88 N 4.88 1.10 -3.56 5.49 2.02 -1.94 -0.14 112.91 120.77 3lin h THR 88 Ca -0.39 -0.33 -0.11 0.00 0.77 0.00 0.00 66.41 66.35 3lin h THR 88 Cb 1.16 0.04 -0.17 0.00 -1.74 0.00 0.00 68.15 67.44 3lin h THR 88 CO 0.70 0.18 -0.39 -0.94 0.37 0.00 0.00 175.52 175.44 3lin s SER 89 N -5.81 0.03 0.36 4.18 1.04 -1.26 -3.30 113.70 108.94 3lin s SER 89 Ca -0.13 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 55.94 3lin s SER 89 Cb 0.17 0.29 -0.00 0.00 0.10 0.00 0.00 66.02 66.58 3lin s SER 89 CO 0.78 -0.56 0.44 0.00 0.98 0.00 0.00 173.24 174.88 3lin s LEU 91 N 0.00 4.07 -0.13 0.00 1.43 0.04 -1.60 118.68 122.49 3lin s LEU 91 Ca 0.33 1.28 0.01 0.00 -1.03 0.00 0.00 54.13 54.72 3lin s LEU 91 Cb -0.00 -4.06 0.02 0.00 0.03 0.00 0.00 46.19 42.18 3lin s LEU 91 CO 0.24 -0.20 -0.17 -0.69 0.23 0.00 0.00 176.35 175.76 3lin s VAL 92 N -1.97 1.72 -0.57 -1.59 1.01 0.14 -1.28 120.40 117.87 3lin s VAL 92 Ca 0.54 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 61.51 3lin s VAL 92 Cb -0.10 -1.57 0.04 0.00 0.00 0.00 0.00 36.38 34.75 3lin s VAL 92 CO 0.18 0.48 0.99 -0.62 0.00 0.00 0.00 175.10 176.13 3lin s ASP 93 N 1.10 6.33 0.02 3.32 -1.08 0.34 -1.59 116.67 125.11 3lin s ASP 93 Ca -0.02 -0.34 0.28 0.00 -0.52 0.00 0.00 52.55 51.94 3lin s ASP 93 Cb -0.14 -2.46 1.05 0.00 -1.46 0.00 0.00 42.92 39.91 3lin s ASP 93 CO -0.05 -1.31 1.81 0.35 0.52 0.00 0.00 175.17 176.49 3lin n THR 94 N 6.25 0.05 -0.03 1.71 -2.24 -0.44 -1.42 114.28 118.15 3lin n THR 94 Ca 0.02 -0.03 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 3lin n THR 94 Cb 0.48 -0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 3lin n THR 94 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3lin n LYS 95 N -1.56 0.25 -0.08 -0.78 3.00 -1.25 -4.82 118.16 112.91 3lin n LYS 95 Ca 0.07 0.10 0.04 0.00 -0.00 0.00 0.00 58.31 58.52 3lin n LYS 95 Cb 0.35 -0.93 0.08 0.00 0.00 0.00 0.00 35.03 34.53 3lin n LYS 95 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3lin n ASN 96 N -3.78 2.31 -4.33 3.14 3.02 -1.26 -5.00 115.26 109.35 3lin n ASN 96 Ca -0.14 -1.74 -0.37 0.00 -0.03 0.00 0.00 54.58 52.30 3lin n ASN 96 Cb 0.42 -0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 39.43 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 0.37 -2.13 -4.77 6.41 3.02 -1.25 -4.92 115.26 111.99 3lin n ASN 97 Ca 0.07 -1.12 -0.35 0.00 -0.03 0.00 0.00 54.58 53.15 3lin n ASN 97 Cb 0.32 -2.25 0.01 0.00 -0.61 0.00 0.00 39.78 37.25 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 -3.43 2.65 -0.11 3.10 0.51 -1.26 -4.65 118.94 115.76 3lin s TRP 98 Ca 0.65 1.54 0.01 0.00 -2.12 0.00 0.00 56.10 56.18 3lin s TRP 98 Cb -0.36 -3.26 0.02 0.00 -0.81 0.00 0.00 33.47 29.05 3lin s TRP 98 CO 0.97 -1.61 -0.11 0.00 -0.51 0.00 0.00 176.95 175.69 3lin s ALA 99 N -1.90 1.44 -0.04 0.98 0.00 -1.26 -3.01 121.76 117.97 3lin s ALA 99 Ca 0.71 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 3lin s ALA 99 Cb -0.23 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.09 3lin s ALA 99 CO 0.30 -0.23 0.07 0.42 0.00 0.00 0.00 175.76 176.32 3lin s ILE 100 N 1.31 -0.11 -0.30 0.00 1.01 0.31 -1.65 121.20 121.77 3lin s ILE 100 Ca -0.02 0.38 -0.17 0.00 0.00 0.00 0.00 60.65 60.84 3lin s ILE 100 Cb -0.14 -0.15 -0.02 0.00 0.01 0.00 0.00 42.46 42.16 3lin s ILE 100 CO -0.05 0.16 0.48 -0.63 0.00 0.00 0.00 174.94 174.91 3lin s ILE 101 N 1.97 5.07 0.13 2.92 -1.09 0.30 -0.86 121.20 129.64 3lin s ILE 101 Ca 0.02 0.61 0.02 0.00 -2.23 0.00 0.00 60.65 59.07 3lin s ILE 101 Cb -0.12 -3.85 0.02 0.00 -1.58 0.00 0.00 42.46 36.93 3lin s ILE 101 CO -0.03 -0.02 0.18 0.61 -1.23 0.00 0.00 174.94 174.45 3lin n GLY 102 N 4.61 1.96 0.23 6.18 0.00 -1.26 -1.83 105.19 115.08 3lin n GLY 102 Ca -0.05 -2.15 0.11 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.13 1.61 3.08 -1.28 -1.15 114.38 116.51 3lin h ARG 103 Ca -0.06 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.02 3lin h ARG 103 Cb 0.28 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 3lin h ARG 103 CO 0.09 0.20 -0.06 0.38 -1.07 0.00 0.00 179.97 179.51 3lin h ASP 104 N 0.00 -0.19 -0.30 7.04 2.03 -1.82 0.22 116.42 123.41 3lin h ASP 104 Ca -0.00 0.05 -0.14 0.00 -0.73 0.00 0.00 57.03 56.21 3lin h ASP 104 Cb 0.64 0.11 -0.00 0.00 -0.83 0.00 0.00 39.33 39.24 3lin h ASP 104 CO 0.03 -0.08 -0.36 0.00 -1.03 0.00 0.00 179.24 177.80 3lin h ALA 105 N 1.09 0.44 -0.70 4.15 0.00 -1.82 -3.22 119.26 119.20 3lin h ALA 105 Ca 0.07 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.56 3lin h ALA 105 Cb 0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3lin h ALA 105 CO -0.16 0.52 0.47 -0.07 0.00 0.00 0.00 179.25 180.00 3lin h LEU 106 N 0.52 0.80 -0.93 0.00 3.38 -1.03 -1.80 115.31 116.25 3lin h LEU 106 Ca 0.04 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3lin h LEU 106 Cb 0.94 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 3lin h LEU 106 CO 0.09 0.57 0.24 -0.61 0.09 0.00 0.00 178.44 178.82 3lin h GLN 107 N 0.94 1.02 0.00 1.13 4.15 -0.60 0.10 115.11 121.85 3lin h GLN 107 Ca 0.26 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 59.45 3lin h GLN 107 Cb -0.09 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.43 3lin h GLN 107 CO -0.06 0.85 -0.19 1.96 -1.93 0.00 0.00 178.83 179.46 3lin h GLN 108 N 0.99 0.00 -0.52 1.69 4.20 -1.35 -1.18 115.11 118.94 3lin h GLN 108 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3lin h GLN 108 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3lin h GLN 108 CO -0.01 0.19 0.00 0.00 -0.67 0.00 0.00 178.83 178.34 3lin n GLN 110 N 0.56 -3.92 -2.23 0.00 6.02 -0.44 -4.95 117.38 112.42 3lin n GLN 110 Ca 0.25 0.83 -0.36 0.00 -0.01 0.00 0.00 57.00 57.70 3lin n GLN 110 Cb 0.98 -5.61 0.00 0.00 1.02 0.00 0.00 30.24 26.62 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 -2.55 2.70 0.06 1.08 0.00 0.30 -5.01 107.32 103.91 3lin s GLY 111 Ca 0.25 0.89 0.02 0.00 0.00 0.00 0.00 44.72 45.88 3lin s GLY 111 CO 0.31 1.29 -0.07 -1.34 0.00 0.00 0.00 173.10 173.29 3lin s VAL 112 N -1.66 0.59 -0.09 1.40 -7.23 -1.26 -4.75 120.40 107.40 3lin s VAL 112 Ca 0.69 -1.43 -0.13 0.00 -1.81 0.00 0.00 61.98 59.30 3lin s VAL 112 Cb -0.26 -1.05 -0.05 0.00 0.56 0.00 0.00 36.38 35.58 3lin s VAL 112 CO 0.31 -0.59 0.33 -0.76 -0.31 0.00 0.00 175.10 174.07 3lin s LEU 113 N -2.18 4.37 -0.16 1.32 1.43 -1.26 -5.09 118.68 117.10 3lin s LEU 113 Ca -0.01 0.71 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 3lin s LEU 113 Cb -0.04 -2.43 0.02 0.00 0.03 0.00 0.00 46.19 43.77 3lin s LEU 113 CO -0.02 0.24 -0.17 -0.47 0.23 0.00 0.00 176.35 176.16 3lin s TYR 114 N -0.40 2.43 -0.22 0.29 5.04 -1.26 -5.10 117.35 118.12 3lin s TYR 114 Ca 0.20 -1.37 -0.02 0.00 -2.44 0.00 0.00 57.07 53.43 3lin s TYR 114 Cb -0.14 -1.73 0.01 0.00 0.35 0.00 0.00 41.96 40.45 3lin s TYR 114 CO 0.08 -0.71 -0.07 -0.51 -1.34 0.00 0.00 175.55 173.00 3lin s LEU 115 N 1.33 2.88 0.00 6.97 1.43 -1.26 -5.17 118.68 124.85 3lin s LEU 115 Ca 0.03 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 3lin s LEU 115 Cb -0.13 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.42 3lin s LEU 115 CO -0.10 -0.06 0.26 -2.65 0.23 0.00 0.00 176.35 174.03