#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 4.76 -0.24 0.52 1.01 -1.26 -5.06 120.40 120.13 3lin s VAL 2 Ca 0.00 1.65 0.02 0.00 0.00 0.00 0.00 61.98 63.65 3lin s VAL 2 Cb 0.00 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.31 3lin s VAL 2 CO 0.00 0.34 -0.10 -0.63 0.00 0.00 0.00 175.10 174.71 3lin s ILE 3 N 0.10 1.94 0.65 2.22 1.01 -1.26 -5.11 121.20 120.75 3lin s ILE 3 Ca 0.39 -1.41 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 3lin s ILE 3 Cb -0.20 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 3lin s ILE 3 CO 0.23 0.02 1.05 -2.16 0.00 0.00 0.00 174.94 174.08 3lin s PRO 4 N 1.22 3.32 -0.08 2.79 0.04 -1.26 -5.04 135.00 135.99 3lin s PRO 4 Ca -0.06 0.76 0.04 0.00 0.04 0.00 0.00 61.00 61.78 3lin s PRO 4 Cb -0.19 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 3lin s PRO 4 CO -0.06 -0.77 -0.21 -0.51 0.04 0.00 0.00 177.00 175.48 3lin s LEU 5 N -5.30 2.28 -0.20 -3.56 1.43 -1.26 -4.91 118.68 107.16 3lin s LEU 5 Ca 0.56 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 53.13 3lin s LEU 5 Cb -0.12 -1.45 0.08 0.00 0.03 0.00 0.00 46.19 44.73 3lin s LEU 5 CO 0.54 0.22 0.44 -0.62 0.23 0.00 0.00 176.35 177.16 3lin s ASP 6 N -0.00 -0.42 0.55 2.29 -1.08 -1.26 -5.04 116.67 111.71 3lin s ASP 6 Ca -0.07 1.01 0.23 0.00 -0.52 0.00 0.00 52.55 53.20 3lin s ASP 6 Cb -0.15 1.21 1.52 0.00 -1.46 0.00 0.00 42.92 44.04 3lin s ASP 6 CO 0.05 -0.22 2.18 1.55 0.52 0.00 0.00 175.17 179.25 3lin h PRO 7 N 7.77 0.00 0.00 4.34 0.13 -2.02 -2.47 132.00 139.75 3lin h PRO 7 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3lin h PRO 7 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3lin h PRO 7 CO 0.18 0.00 -0.21 0.00 -0.23 0.00 0.00 178.00 177.74 3lin n ALA 8 N -2.45 2.65 -3.84 -0.56 0.00 -1.26 -4.69 120.51 110.37 3lin n ALA 8 Ca -0.02 -0.15 -0.27 0.00 0.00 0.00 0.00 53.44 53.00 3lin n ALA 8 Cb 0.13 -1.35 -0.17 0.00 0.00 0.00 0.00 19.45 18.06 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 -3.06 1.11 0.25 0.00 0.52 -0.93 -5.12 118.95 111.72 3lin s ARG 9 Ca 0.11 -0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 54.72 3lin s ARG 9 Cb 0.16 -1.70 -0.10 0.00 0.52 0.00 0.00 34.95 33.83 3lin s ARG 9 CO 0.62 -0.41 1.37 1.03 0.02 0.00 0.00 175.30 177.93 3lin s ARG 10 N 1.77 4.33 -0.65 3.54 0.52 -1.26 -4.34 118.95 122.85 3lin s ARG 10 Ca 0.02 2.21 -0.27 0.00 -0.52 0.00 0.00 55.73 57.17 3lin s ARG 10 Cb -0.14 -3.13 0.03 0.00 0.52 0.00 0.00 34.95 32.23 3lin s ARG 10 CO -0.07 -0.31 1.21 -1.25 0.02 0.00 0.00 175.30 174.89 3lin s PRO 11 N -0.62 3.34 0.22 3.54 0.04 -1.26 -4.99 135.00 135.27 3lin s PRO 11 Ca 0.56 -0.04 0.10 0.00 0.04 0.00 0.00 61.00 61.66 3lin s PRO 11 Cb -0.40 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.00 3lin s PRO 11 CO 0.44 -1.88 -0.09 0.14 0.04 0.00 0.00 177.00 175.65 3lin s VAL 12 N 5.20 3.11 0.01 -0.36 -7.23 -1.26 -0.28 120.40 119.59 3lin s VAL 12 Ca 0.38 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 3lin s VAL 12 Cb -0.08 -2.59 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 3lin s VAL 12 CO 0.20 -0.24 -0.02 -0.51 -0.31 0.00 0.00 175.10 174.22 3lin s ILE 13 N -2.02 0.10 0.18 -0.62 2.07 0.58 -4.92 121.20 116.56 3lin s ILE 13 Ca 0.27 -0.58 -0.29 0.00 -1.41 0.00 0.00 60.65 58.65 3lin s ILE 13 Cb -0.07 -0.19 -0.08 0.00 0.13 0.00 0.00 42.46 42.25 3lin s ILE 13 CO 0.16 -0.30 0.91 -0.54 -1.91 0.00 0.00 174.94 173.26 3lin s LYS 14 N -0.91 4.75 -0.11 3.50 -0.14 -1.26 -0.94 119.74 124.64 3lin s LYS 14 Ca -0.10 1.40 -0.08 0.00 -1.36 0.00 0.00 55.97 55.84 3lin s LYS 14 Cb -0.06 -3.31 0.04 0.00 -1.68 0.00 0.00 37.83 32.82 3lin s LYS 14 CO -0.01 0.44 0.26 0.00 -0.76 0.00 0.00 175.35 175.29 3lin s ALA 15 N -0.81 -0.64 -0.20 5.17 0.00 -0.47 -4.18 121.76 120.63 3lin s ALA 15 Ca 0.41 0.89 -0.18 0.00 0.00 0.00 0.00 51.96 53.09 3lin s ALA 15 Cb -0.25 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 3lin s ALA 15 CO 0.30 -0.16 0.49 -1.14 0.00 0.00 0.00 175.76 175.25 3lin s GLN 16 N 0.66 4.19 -0.19 0.00 0.74 -0.16 -0.77 119.66 124.14 3lin s GLN 16 Ca -0.04 0.36 -0.02 0.00 0.05 0.00 0.00 55.36 55.71 3lin s GLN 16 Cb -0.06 -3.55 -0.00 0.00 1.10 0.00 0.00 33.01 30.50 3lin s GLN 16 CO -0.04 -0.12 -0.11 0.08 -0.55 0.00 0.00 175.29 174.55 3lin s VAL 17 N 1.54 2.92 -0.36 1.34 1.01 0.64 0.29 120.40 127.78 3lin s VAL 17 Ca 0.23 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 3lin s VAL 17 Cb -0.15 -2.28 0.05 0.00 0.00 0.00 0.00 36.38 34.00 3lin s VAL 17 CO 0.09 0.48 0.15 -0.62 0.00 0.00 0.00 175.10 175.20 3lin s ASP 18 N 1.15 5.40 0.00 3.32 2.15 0.14 -1.27 116.67 127.56 3lin s ASP 18 Ca 0.01 -1.25 0.29 0.00 0.43 0.00 0.00 52.55 52.03 3lin s ASP 18 Cb -0.14 -1.90 1.39 0.00 -0.30 0.00 0.00 42.92 41.97 3lin s ASP 18 CO -0.04 -0.38 1.98 0.35 -0.17 0.00 0.00 175.17 176.91 3lin n THR 19 N 4.83 0.05 -1.43 1.71 -2.24 -1.26 -1.01 114.28 114.92 3lin n THR 19 Ca -0.11 0.01 -0.15 0.00 -2.27 0.00 0.00 64.05 61.53 3lin n THR 19 Cb 0.44 -0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 68.08 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 -1.35 -1.32 0.00 -0.78 6.02 -1.26 -4.79 117.38 113.90 3lin n GLN 20 Ca 0.12 1.01 0.00 0.00 -0.01 0.00 0.00 57.00 58.12 3lin n GLN 20 Cb 0.26 -5.28 0.00 0.00 1.02 0.00 0.00 30.24 26.24 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 -2.43 0.00 -3.93 5.09 -2.24 -1.26 -5.06 114.28 104.45 3lin n THR 21 Ca -0.15 -0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 61.24 3lin n THR 21 Cb 0.56 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.92 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 -0.37 -0.07 0.81 3.42 1.04 -1.26 -4.38 113.70 112.89 3lin s SER 22 Ca 0.00 -0.87 -0.13 0.00 0.48 0.00 0.00 55.95 55.43 3lin s SER 22 Cb 0.00 0.68 0.09 0.00 0.10 0.00 0.00 66.02 66.89 3lin s SER 22 CO 0.00 -1.31 1.19 -1.38 0.98 0.00 0.00 173.24 172.72 3lin s HIS 23 N -3.68 1.84 0.43 5.02 0.00 -1.26 -4.46 115.29 113.17 3lin s HIS 23 Ca 0.18 1.68 -0.26 0.00 -3.00 0.00 0.00 55.06 53.66 3lin s HIS 23 Cb -0.03 -3.44 -0.09 0.00 -4.00 0.00 0.00 32.58 25.01 3lin s HIS 23 CO 0.09 -2.76 1.42 -2.30 -1.00 0.00 0.00 174.74 170.19 3lin n PRO 24 N -3.38 2.29 -4.16 -0.38 -0.02 -1.26 -4.80 135.00 123.30 3lin n PRO 24 Ca 0.13 0.81 -0.18 0.00 -2.02 0.00 0.00 63.50 62.25 3lin n PRO 24 Cb 0.51 -2.59 -0.12 0.00 -0.02 0.00 0.00 33.50 31.28 3lin n PRO 24 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3lin s LYS 25 N -2.32 0.79 -0.12 -0.52 1.02 -0.40 -4.90 119.74 113.28 3lin s LYS 25 Ca 0.59 -0.93 -0.24 0.00 0.02 0.00 0.00 55.97 55.41 3lin s LYS 25 Cb -0.47 -0.77 -0.02 0.00 -0.52 0.00 0.00 37.83 36.05 3lin s LYS 25 CO 0.59 0.17 0.77 0.99 -0.92 0.00 0.00 175.35 176.95 3lin s THR 26 N -1.28 4.95 0.26 2.17 2.01 -1.26 -0.26 115.64 122.23 3lin s THR 26 Ca -0.03 1.55 0.05 0.00 0.31 0.00 0.00 61.69 63.57 3lin s THR 26 Cb -0.10 -4.10 -0.06 0.00 0.01 0.00 0.00 72.50 68.26 3lin s THR 26 CO 0.02 0.13 -0.02 0.27 -0.69 0.00 0.00 174.62 174.33 3lin s ILE 27 N 1.56 1.30 -0.25 1.82 -4.36 0.05 -4.97 121.20 116.34 3lin s ILE 27 Ca 0.38 -2.07 -0.08 0.00 -0.26 0.00 0.00 60.65 58.63 3lin s ILE 27 Cb -0.17 -2.43 -0.03 0.00 1.25 0.00 0.00 42.46 41.07 3lin s ILE 27 CO 0.15 -0.28 0.09 -0.70 0.24 0.00 0.00 174.94 174.44 3lin s GLU 28 N -3.81 3.72 0.04 0.37 2.12 -1.26 -1.37 118.70 118.50 3lin s GLU 28 Ca 0.30 -0.45 0.09 0.00 0.36 0.00 0.00 54.97 55.27 3lin s GLU 28 Cb 0.05 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 31.05 3lin s GLU 28 CO 0.11 -0.16 -0.25 0.00 -0.54 0.00 0.00 175.26 174.42 3lin s ALA 29 N 1.56 2.09 0.05 6.30 0.00 -0.11 -4.59 121.76 127.06 3lin s ALA 29 Ca 0.06 -1.19 -0.30 0.00 0.00 0.00 0.00 51.96 50.53 3lin s ALA 29 Cb -0.15 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 3lin s ALA 29 CO 0.05 0.49 1.09 -1.17 0.00 0.00 0.00 175.76 176.22 3lin s LEU 30 N -1.15 4.39 -0.35 0.00 2.96 -0.49 -0.31 118.68 123.73 3lin s LEU 30 Ca 0.10 1.87 -0.24 0.00 -0.22 0.00 0.00 54.13 55.65 3lin s LEU 30 Cb -0.10 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.03 3lin s LEU 30 CO 0.02 -0.35 0.83 -0.76 -1.32 0.00 0.00 176.35 174.77 3lin s LEU 31 N 0.86 4.08 -0.30 -0.68 1.02 0.61 -0.04 118.68 124.23 3lin s LEU 31 Ca 0.55 0.50 -0.02 0.00 0.02 0.00 0.00 54.13 55.19 3lin s LEU 31 Cb -0.26 -3.11 0.10 0.00 0.02 0.00 0.00 46.19 42.94 3lin s LEU 31 CO 0.29 -0.74 0.10 -0.62 0.02 0.00 0.00 176.35 175.41 3lin s ASP 32 N 1.79 3.89 0.34 2.29 -1.08 -0.75 -4.78 116.67 118.37 3lin s ASP 32 Ca 0.34 -1.54 0.27 0.00 -0.52 0.00 0.00 52.55 51.09 3lin s ASP 32 Cb -0.13 -0.74 1.05 0.00 -1.46 0.00 0.00 42.92 41.64 3lin s ASP 32 CO 0.16 -0.42 1.79 0.71 0.52 0.00 0.00 175.17 177.93 3lin h THR 33 N 6.47 0.00 -0.01 1.71 1.35 -1.95 -2.63 112.91 117.86 3lin h THR 33 Ca -0.15 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3lin h THR 33 Cb 1.02 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3lin h THR 33 CO 0.46 0.00 -0.07 0.61 -0.25 0.00 0.00 175.52 176.27 3lin n GLY 34 N 0.17 -0.70 3.65 5.82 0.00 -1.26 -4.80 105.19 108.06 3lin n GLY 34 Ca 0.02 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.27 3.59 0.28 4.61 0.00 -0.99 -4.96 121.76 122.02 3lin s ALA 35 Ca 0.34 -0.83 0.09 0.00 0.00 0.00 0.00 51.96 51.56 3lin s ALA 35 Cb 0.21 -2.43 0.40 0.00 0.00 0.00 0.00 23.12 21.30 3lin s ALA 35 CO 0.42 -0.28 1.65 -0.44 0.00 0.00 0.00 175.76 177.11 3lin h ASP 36 N 7.61 0.10 -4.70 0.00 3.32 -1.88 0.01 116.42 120.88 3lin h ASP 36 Ca -0.37 -0.05 -0.26 0.00 0.02 0.00 0.00 57.03 56.36 3lin h ASP 36 Cb 1.17 -0.03 -0.19 0.00 0.22 0.00 0.00 39.33 40.50 3lin h ASP 36 CO 0.66 0.63 -0.72 -0.04 -1.72 0.00 0.00 179.24 178.04 3lin s MET 37 N -3.82 0.63 0.35 3.56 -1.94 -1.26 -3.87 119.30 112.95 3lin s MET 37 Ca -0.03 -0.94 -0.25 0.00 -1.71 0.00 0.00 55.69 52.77 3lin s MET 37 Cb 0.13 -0.29 -0.10 0.00 2.01 0.00 0.00 34.83 36.58 3lin s MET 37 CO 0.77 0.04 0.96 0.99 -0.01 0.00 0.00 175.02 177.77 3lin s THR 38 N -2.04 4.15 -0.10 2.05 2.01 -1.26 -4.31 115.64 116.14 3lin s THR 38 Ca -0.03 1.69 0.04 0.00 0.31 0.00 0.00 61.69 63.70 3lin s THR 38 Cb -0.05 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.56 3lin s THR 38 CO -0.01 0.06 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.06 3lin s VAL 39 N -1.70 1.96 0.15 3.82 1.01 0.58 -1.30 120.40 124.93 3lin s VAL 39 Ca 0.53 -0.96 0.10 0.00 0.00 0.00 0.00 61.98 61.64 3lin s VAL 39 Cb -0.18 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3lin s VAL 39 CO 0.23 0.54 -0.22 0.27 0.00 0.00 0.00 175.10 175.92 3lin s ILE 40 N 0.39 1.99 0.35 2.22 -4.36 -0.57 -0.07 121.20 121.15 3lin s ILE 40 Ca -0.18 -1.81 -0.27 0.00 -0.26 0.00 0.00 60.65 58.13 3lin s ILE 40 Cb -0.18 -1.85 -0.09 0.00 1.25 0.00 0.00 42.46 41.59 3lin s ILE 40 CO 0.08 -0.12 1.21 -2.84 0.24 0.00 0.00 174.94 173.51 3lin s PRO 41 N -2.37 4.29 0.59 0.37 0.02 -1.03 -0.81 135.00 136.06 3lin s PRO 41 Ca 0.14 1.98 0.33 0.00 0.02 0.00 0.00 61.00 63.46 3lin s PRO 41 Cb -0.08 -2.93 1.86 0.00 0.02 0.00 0.00 34.50 33.37 3lin s PRO 41 CO 0.07 -0.16 2.23 0.97 -0.33 0.00 0.00 177.00 179.78 3lin h ILE 42 N 2.75 0.40 0.00 2.83 2.10 -1.62 -2.22 117.51 121.75 3lin h ILE 42 Ca -0.48 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.32 3lin h ILE 42 Cb 1.23 1.10 0.00 0.00 -1.09 0.00 0.00 36.82 38.05 3lin h ILE 42 CO 0.64 0.03 0.09 0.00 -1.08 0.00 0.00 178.15 177.83 3lin h ALA 43 N 1.97 1.08 0.00 0.18 0.00 -1.91 0.14 119.26 120.73 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 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3lin h ALA 43 CO 0.00 -0.08 0.00 -0.07 0.00 0.00 0.00 179.25 179.10 3lin h LEU 44 N 0.00 0.00 -9.88 0.00 3.38 -1.78 -3.46 115.31 103.56 3lin h LEU 44 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 3lin h LEU 44 Cb 0.17 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3lin h LEU 44 CO 0.00 0.00 -0.40 -0.36 0.09 0.00 0.00 178.44 177.77 3lin s PHE 45 N -3.45 3.52 0.54 1.13 0.40 0.47 -4.63 117.98 115.96 3lin s PHE 45 Ca 0.04 0.45 -0.22 0.00 -0.60 0.00 0.00 56.93 56.61 3lin s PHE 45 Cb 0.09 -1.92 -0.05 0.00 0.51 0.00 0.00 43.02 41.65 3lin s PHE 45 CO 0.53 0.54 1.31 -1.54 0.70 0.00 0.00 175.22 176.76 3lin s SER 46 N -2.25 5.37 0.26 1.36 1.04 -1.26 -4.88 113.70 113.34 3lin s SER 46 Ca 0.35 2.66 0.17 0.00 0.48 0.00 0.00 55.95 59.60 3lin s SER 46 Cb -0.13 -2.63 0.90 0.00 0.10 0.00 0.00 66.02 64.27 3lin s SER 46 CO 0.23 -1.49 1.50 -1.20 0.98 0.00 0.00 173.24 173.26 3lin n SER 47 N -1.03 0.43 -0.50 7.02 7.64 -1.26 -2.53 113.62 123.39 3lin n SER 47 Ca 0.10 0.69 0.09 0.00 1.01 0.00 0.00 58.87 60.77 3lin n SER 47 Cb 0.46 -0.74 0.20 0.00 -1.01 0.00 0.00 64.21 63.12 3lin n SER 47 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3lin n ASN 48 N -2.08 3.15 -4.78 6.43 3.02 -1.26 -5.07 115.26 114.66 3lin n ASN 48 Ca -0.01 -3.06 -0.36 0.00 -0.03 0.00 0.00 54.58 51.11 3lin n ASN 48 Cb 0.05 -0.49 -0.05 0.00 -0.61 0.00 0.00 39.78 38.68 3lin n ASN 48 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3lin s THR 49 N -2.86 3.84 -0.19 3.41 2.01 -1.05 -4.99 115.64 115.81 3lin s THR 49 Ca 0.37 1.42 -0.29 0.00 0.31 0.00 0.00 61.69 63.50 3lin s THR 49 Cb 0.31 -3.73 -0.00 0.00 0.01 0.00 0.00 72.50 69.09 3lin s THR 49 CO 0.06 0.02 1.07 -2.84 -0.69 0.00 0.00 174.62 172.24 3lin s PRO 50 N -2.45 4.29 -0.03 4.92 0.02 -1.26 -5.02 135.00 135.47 3lin s PRO 50 Ca 0.57 1.43 0.02 0.00 0.02 0.00 0.00 61.00 63.03 3lin s PRO 50 Cb -0.21 -3.63 0.01 0.00 0.02 0.00 0.00 34.50 30.69 3lin s PRO 50 CO 0.26 -0.57 -0.07 -0.51 -0.33 0.00 0.00 177.00 175.79 3lin s LEU 51 N 2.94 1.61 0.21 -5.54 1.43 -1.26 -4.17 118.68 113.90 3lin s LEU 51 Ca 0.47 -0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 53.11 3lin s LEU 51 Cb -0.17 -0.50 -0.08 0.00 0.03 0.00 0.00 46.19 45.47 3lin s LEU 51 CO 0.11 0.01 0.99 -0.54 0.23 0.00 0.00 176.35 177.15 3lin s LYS 52 N 0.49 4.76 0.55 1.70 1.02 -1.06 -4.79 119.74 122.42 3lin s LYS 52 Ca -0.07 1.55 -0.20 0.00 0.02 0.00 0.00 55.97 57.27 3lin s LYS 52 Cb -0.11 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.86 3lin s LYS 52 CO 0.01 0.36 1.21 -0.80 -0.92 0.00 0.00 175.35 175.20 3lin s ASN 53 N -0.76 5.47 0.19 2.83 0.01 -1.26 -0.38 114.94 121.03 3lin s ASN 53 Ca 0.44 2.39 -0.12 0.00 -0.71 0.00 0.00 52.86 54.85 3lin s ASN 53 Cb -0.27 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 38.80 3lin s ASN 53 CO 0.33 -1.40 0.39 0.28 -1.51 0.00 0.00 177.10 175.19 3lin s THR 54 N -1.57 0.04 -0.12 1.60 -1.32 -1.24 -4.75 115.64 108.28 3lin s THR 54 Ca 0.73 -1.19 -0.01 0.00 -1.21 0.00 0.00 61.69 60.01 3lin s THR 54 Cb -0.30 -1.81 -0.02 0.00 -1.51 0.00 0.00 72.50 68.86 3lin s THR 54 CO 0.34 -0.20 -0.10 -0.55 -2.21 0.00 0.00 174.62 171.91 3lin s SER 55 N -2.94 4.30 -0.03 8.08 0.15 -1.26 -4.38 113.70 117.62 3lin s SER 55 Ca 0.15 -0.23 0.05 0.00 0.70 0.00 0.00 55.95 56.62 3lin s SER 55 Cb 0.01 -1.55 -0.01 0.00 -1.71 0.00 0.00 66.02 62.76 3lin s SER 55 CO 0.00 0.20 -0.19 -0.69 1.20 0.00 0.00 173.24 173.77 3lin s VAL 56 N 0.15 1.51 -0.30 4.45 1.01 0.16 -4.97 120.40 122.41 3lin s VAL 56 Ca -0.05 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 3lin s VAL 56 Cb -0.14 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3lin s VAL 56 CO 0.04 0.43 0.41 -0.22 0.00 0.00 0.00 175.10 175.77 3lin s LEU 57 N -0.16 4.20 0.00 3.92 2.96 -1.26 0.20 118.68 128.54 3lin s LEU 57 Ca 0.00 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 3lin s LEU 57 Cb -0.10 -2.46 -0.00 0.00 0.50 0.00 0.00 46.19 44.12 3lin s LEU 57 CO 0.01 -0.29 0.04 0.61 -1.32 0.00 0.00 176.35 175.39 3lin n GLY 58 N 4.75 3.75 0.36 7.98 0.00 -0.80 -4.98 105.19 116.26 3lin n GLY 58 Ca -0.07 -2.17 0.03 0.00 0.00 0.00 0.00 46.02 43.80 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 1.24 1.49 0.00 4.61 0.00 -2.03 -2.16 119.26 122.41 3lin h ALA 59 Ca -0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3lin h ALA 59 Cb 0.68 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3lin h ALA 59 CO 0.33 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.39 3lin n GLY 60 N -1.40 0.60 7.00 0.00 0.00 -1.26 -4.99 105.19 105.14 3lin n GLY 60 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.16 -1.89 3.72 -0.02 0.00 -0.81 -4.93 105.19 101.41 3lin n GLY 61 Ca 0.00 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 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 4.46 0.01 1.61 2.00 -1.26 -1.90 119.66 124.59 3lin s GLN 62 Ca 0.00 1.74 0.08 0.00 -2.00 0.00 0.00 55.36 55.18 3lin s GLN 62 Cb 0.00 -3.34 -0.02 0.00 0.80 0.00 0.00 33.01 30.44 3lin s GLN 62 CO 0.00 -0.19 -0.24 -0.08 -0.50 0.00 0.00 175.29 174.28 3lin s THR 63 N 0.86 1.93 -0.39 -0.34 -1.32 0.13 -4.96 115.64 111.55 3lin s THR 63 Ca 0.57 -1.18 0.10 0.00 -1.21 0.00 0.00 61.69 59.97 3lin s THR 63 Cb -0.29 -1.63 -0.12 0.00 -1.51 0.00 0.00 72.50 68.95 3lin s THR 63 CO 0.30 0.42 0.39 0.00 -2.21 0.00 0.00 174.62 173.52 3lin n GLN 64 N 2.13 3.01 -0.00 7.08 1.13 -1.26 0.39 117.38 129.86 3lin n GLN 64 Ca -0.16 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 3lin n GLN 64 Cb 0.52 -1.03 -0.01 0.00 0.11 0.00 0.00 30.24 29.83 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 -1.36 4.84 0.05 1.08 5.75 -1.26 -4.32 116.55 121.33 3lin n ASP 65 Ca 0.01 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 54.81 3lin n ASP 65 Cb 0.18 0.81 0.36 0.00 -1.03 0.00 0.00 41.12 41.43 3lin n ASP 65 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3lin h HIS 66 N 0.00 0.42 -4.31 2.11 3.86 -1.89 -3.45 115.15 111.89 3lin h HIS 66 Ca -0.01 -0.03 -0.69 0.00 -1.16 0.00 0.00 60.37 58.47 3lin h HIS 66 Cb 0.47 -0.13 -0.26 0.00 1.06 0.00 0.00 27.41 28.55 3lin h HIS 66 CO 0.00 0.43 -0.86 -0.06 0.86 0.00 0.00 177.93 178.30 3lin s PHE 67 N -4.96 2.38 0.41 2.45 0.40 -1.26 -0.79 117.98 116.62 3lin s PHE 67 Ca -0.07 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 55.93 3lin s PHE 67 Cb 0.16 -1.44 -0.05 0.00 0.51 0.00 0.00 43.02 42.19 3lin s PHE 67 CO 0.75 0.11 0.03 0.15 0.70 0.00 0.00 175.22 176.96 3lin s LYS 68 N -1.09 1.94 -0.09 0.44 -0.14 -0.28 -3.61 119.74 116.91 3lin s LYS 68 Ca 0.12 -2.14 -0.01 0.00 -1.36 0.00 0.00 55.97 52.58 3lin s LYS 68 Cb -0.10 -1.30 -0.03 0.00 -1.68 0.00 0.00 37.83 34.72 3lin s LYS 68 CO 0.02 -0.21 -0.05 -1.17 -0.76 0.00 0.00 175.35 173.18 3lin s LEU 69 N -3.68 3.25 0.80 3.17 2.96 0.49 -0.19 118.68 125.47 3lin s LEU 69 Ca 0.27 -0.03 -0.14 0.00 -0.22 0.00 0.00 54.13 54.02 3lin s LEU 69 Cb 0.07 -1.73 0.08 0.00 0.50 0.00 0.00 46.19 45.10 3lin s LEU 69 CO 0.13 0.32 1.22 0.42 -1.32 0.00 0.00 176.35 177.12 3lin s THR 70 N -0.52 2.00 -0.11 3.68 -4.23 -0.57 -2.55 115.64 113.34 3lin s THR 70 Ca 0.08 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.52 3lin s THR 70 Cb -0.12 -2.46 -0.27 0.00 1.34 0.00 0.00 72.50 71.00 3lin s THR 70 CO 0.02 -0.00 0.41 0.28 -0.54 0.00 0.00 174.62 174.79 3lin h SER 71 N -0.79 0.43 -3.04 3.99 0.02 -1.93 -3.45 113.55 108.78 3lin h SER 71 Ca -0.47 -0.93 -0.62 0.00 -0.84 0.00 0.00 61.79 58.93 3lin h SER 71 Cb 1.30 -0.14 -0.11 0.00 0.14 0.00 0.00 62.40 63.60 3lin h SER 71 CO 0.47 1.83 -0.64 -0.76 -1.14 0.00 0.00 176.83 176.59 3lin s LEU 72 N -7.05 3.48 0.81 5.07 1.43 -1.26 -5.03 118.68 116.12 3lin s LEU 72 Ca -0.21 -0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 52.49 3lin s LEU 72 Cb 0.06 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 44.13 3lin s LEU 72 CO 0.78 0.12 0.59 -2.65 0.23 0.00 0.00 176.35 175.42 3lin n PRO 73 N 0.13 0.10 -4.66 1.29 -0.02 -1.19 -4.78 135.00 125.87 3lin n PRO 73 Ca -0.10 0.09 -0.33 0.00 -2.02 0.00 0.00 63.50 61.13 3lin n PRO 73 Cb 0.54 -1.93 -0.12 0.00 -0.02 0.00 0.00 33.50 31.97 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 -2.09 3.53 -0.12 -1.45 1.01 -0.01 -4.67 120.40 116.59 3lin s VAL 74 Ca 0.64 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 3lin s VAL 74 Cb -0.30 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 3lin s VAL 74 CO 0.60 0.57 -0.02 -0.76 0.00 0.00 0.00 175.10 175.49 3lin s LEU 75 N -0.47 3.40 -0.12 3.92 1.43 -0.18 -1.18 118.68 125.48 3lin s LEU 75 Ca 0.07 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 3lin s LEU 75 Cb -0.12 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.32 3lin s LEU 75 CO 0.02 0.26 -0.13 -0.63 0.23 0.00 0.00 176.35 176.10 3lin s ILE 76 N -0.18 1.39 -0.24 -0.59 1.01 0.40 0.23 121.20 123.23 3lin s ILE 76 Ca 0.04 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 3lin s ILE 76 Cb -0.13 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 3lin s ILE 76 CO 0.02 0.42 0.08 -0.13 0.00 0.00 0.00 174.94 175.33 3lin s ARG 77 N 1.30 3.74 0.23 2.79 0.52 0.15 -0.76 118.95 126.92 3lin s ARG 77 Ca -0.01 -0.44 -0.04 0.00 -0.52 0.00 0.00 55.73 54.73 3lin s ARG 77 Cb -0.14 -3.32 -0.05 0.00 0.52 0.00 0.00 34.95 31.96 3lin s ARG 77 CO -0.06 -0.08 0.47 -0.51 0.02 0.00 0.00 175.30 175.14 3lin s LEU 78 N 1.34 4.15 0.44 2.53 1.43 -1.26 -0.99 118.68 126.33 3lin s LEU 78 Ca 0.05 0.61 0.12 0.00 -1.03 0.00 0.00 54.13 53.88 3lin s LEU 78 Cb -0.15 -3.39 0.98 0.00 0.03 0.00 0.00 46.19 43.66 3lin s LEU 78 CO 0.04 -0.10 2.01 -0.65 0.23 0.00 0.00 176.35 177.88 3lin h PRO 79 N 2.03 0.13 -0.66 1.29 0.11 -2.00 -2.93 132.00 129.96 3lin h PRO 79 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3lin h PRO 79 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3lin h PRO 79 CO 0.68 0.22 0.00 1.97 -0.21 0.00 0.00 178.00 180.66 3lin n PHE 80 N -4.37 1.24 -3.99 0.65 -1.74 -1.26 -4.89 117.46 103.10 3lin n PHE 80 Ca -0.01 -0.52 -0.14 0.00 -0.56 0.00 0.00 57.45 56.21 3lin n PHE 80 Cb 0.20 -0.16 -0.14 0.00 1.52 0.00 0.00 39.48 40.90 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 -1.59 0.20 -0.05 3.97 0.52 -1.11 -5.05 118.95 115.84 3lin s ARG 81 Ca 0.47 -0.06 -0.20 0.00 -0.52 0.00 0.00 55.73 55.42 3lin s ARG 81 Cb 0.28 -0.22 -0.31 0.00 0.52 0.00 0.00 34.95 35.23 3lin s ARG 81 CO 0.26 0.03 0.84 1.79 0.02 0.00 0.00 175.30 178.23 3lin h THR 82 N 5.24 1.39 -2.86 0.02 1.35 -1.90 -3.40 112.91 112.76 3lin h THR 82 Ca -0.28 -2.53 -0.52 0.00 -0.55 0.00 0.00 66.41 62.53 3lin h THR 82 Cb 1.19 3.09 0.05 0.00 -1.73 0.00 0.00 68.15 70.76 3lin h THR 82 CO 0.50 0.72 0.91 -0.89 -0.25 0.00 0.00 175.52 176.52 3lin s THR 83 N -2.46 2.38 0.35 6.82 2.01 -1.26 -4.99 115.64 118.49 3lin s THR 83 Ca -0.14 0.28 -0.26 0.00 0.31 0.00 0.00 61.69 61.88 3lin s THR 83 Cb 0.02 -3.18 -0.09 0.00 0.01 0.00 0.00 72.50 69.26 3lin s THR 83 CO 0.83 0.03 1.05 -2.16 -0.69 0.00 0.00 174.62 173.68 3lin s PRO 84 N 0.88 4.37 0.28 4.92 0.04 -1.26 -4.76 135.00 139.48 3lin s PRO 84 Ca 0.70 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 63.04 3lin s PRO 84 Cb -0.46 -2.79 -0.10 0.00 0.04 0.00 0.00 34.50 31.19 3lin s PRO 84 CO 0.34 0.03 1.33 0.42 0.04 0.00 0.00 177.00 179.15 3lin s ILE 85 N -1.48 2.84 -0.21 0.56 1.01 0.06 -4.87 121.20 119.12 3lin s ILE 85 Ca 0.52 0.78 0.01 0.00 0.00 0.00 0.00 60.65 61.96 3lin s ILE 85 Cb -0.25 -3.50 0.05 0.00 0.01 0.00 0.00 42.46 38.77 3lin s ILE 85 CO 0.32 0.16 -0.08 -0.69 0.00 0.00 0.00 174.94 174.64 3lin s VAL 86 N -0.62 1.57 -0.25 2.92 1.01 -1.26 -0.45 120.40 123.32 3lin s VAL 86 Ca 0.53 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 3lin s VAL 86 Cb -0.39 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 3lin s VAL 86 CO 0.47 0.08 0.21 -0.76 0.00 0.00 0.00 175.10 175.10 3lin s LEU 87 N 1.41 4.09 0.27 3.92 1.43 -0.32 -4.94 118.68 124.53 3lin s LEU 87 Ca -0.03 0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 53.17 3lin s LEU 87 Cb -0.17 -2.18 0.36 0.00 0.03 0.00 0.00 46.19 44.23 3lin s LEU 87 CO -0.07 -0.00 1.92 0.74 0.23 0.00 0.00 176.35 179.17 3lin h THR 88 N 5.15 1.23 -3.90 5.49 2.02 -1.93 0.00 112.91 120.97 3lin h THR 88 Ca -0.36 -0.50 -0.10 0.00 0.77 0.00 0.00 66.41 66.22 3lin h THR 88 Cb 1.17 0.04 -0.14 0.00 -1.74 0.00 0.00 68.15 67.48 3lin h THR 88 CO 0.63 0.24 -0.42 -0.94 0.37 0.00 0.00 175.52 175.40 3lin s SER 89 N -6.28 0.17 0.37 4.18 1.04 -1.26 -3.15 113.70 108.76 3lin s SER 89 Ca -0.12 -0.74 -0.09 0.00 0.48 0.00 0.00 55.95 55.48 3lin s SER 89 Cb 0.17 0.33 0.03 0.00 0.10 0.00 0.00 66.02 66.65 3lin s SER 89 CO 0.81 -0.73 0.63 0.00 0.98 0.00 0.00 173.24 174.93 3lin s LEU 91 N -3.16 3.82 -0.16 0.00 1.43 -0.42 -1.51 118.68 118.68 3lin s LEU 91 Ca 0.23 1.38 -0.00 0.00 -1.03 0.00 0.00 54.13 54.71 3lin s LEU 91 Cb -0.03 -4.26 0.03 0.00 0.03 0.00 0.00 46.19 41.97 3lin s LEU 91 CO 0.16 -0.42 -0.09 -0.69 0.23 0.00 0.00 176.35 175.55 3lin s VAL 92 N -2.36 1.31 -0.56 -1.59 1.01 0.73 -1.50 120.40 117.44 3lin s VAL 92 Ca 0.56 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.61 3lin s VAL 92 Cb -0.10 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 34.93 3lin s VAL 92 CO 0.26 0.26 1.27 -0.62 0.00 0.00 0.00 175.10 176.27 3lin s ASP 93 N 1.57 6.35 0.15 3.32 2.15 0.01 -1.13 116.67 129.09 3lin s ASP 93 Ca 0.02 0.23 0.24 0.00 0.43 0.00 0.00 52.55 53.47 3lin s ASP 93 Cb -0.14 -2.55 0.27 0.00 -0.30 0.00 0.00 42.92 40.20 3lin s ASP 93 CO -0.09 -1.54 1.28 0.71 -0.17 0.00 0.00 175.17 175.36 3lin h THR 94 N 6.25 0.00 0.00 1.71 1.35 -1.28 -1.65 112.91 119.29 3lin h THR 94 Ca -0.26 -0.62 -0.32 0.00 -0.55 0.00 0.00 66.41 64.67 3lin h THR 94 Cb 1.07 1.20 -0.05 0.00 -1.73 0.00 0.00 68.15 68.64 3lin h THR 94 CO 1.17 0.00 -1.85 0.29 -0.25 0.00 0.00 175.52 174.89 3lin n LYS 95 N -2.27 0.57 -0.02 4.72 5.02 -1.24 -4.75 118.16 120.18 3lin n LYS 95 Ca 0.03 0.38 0.05 0.00 -2.02 0.00 0.00 58.31 56.75 3lin n LYS 95 Cb 0.47 -1.59 0.06 0.00 -0.02 0.00 0.00 35.03 33.95 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 -4.35 2.00 -4.15 4.39 3.02 -1.26 -5.00 115.26 109.90 3lin n ASN 96 Ca -0.41 -1.51 -0.33 0.00 -0.03 0.00 0.00 54.58 52.31 3lin n ASN 96 Cb 0.75 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.86 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 0.55 -2.05 -4.73 6.41 4.13 -1.24 -4.94 115.26 113.40 3lin n ASN 97 Ca 0.07 -1.03 -0.31 0.00 1.68 0.00 0.00 54.58 54.99 3lin n ASN 97 Cb 0.28 -2.76 0.12 0.00 -1.54 0.00 0.00 39.78 35.88 3lin n ASN 97 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3lin s TRP 98 N -3.58 2.25 -0.12 3.10 0.23 -1.26 -4.60 118.94 114.96 3lin s TRP 98 Ca 0.46 1.59 -0.02 0.00 -2.03 0.00 0.00 56.10 56.11 3lin s TRP 98 Cb -0.25 -3.14 0.04 0.00 0.03 0.00 0.00 33.47 30.14 3lin s TRP 98 CO 0.92 -2.19 -0.00 0.00 0.96 0.00 0.00 176.95 176.64 3lin s ALA 99 N -2.82 0.94 -0.09 0.98 0.00 -1.26 -2.45 121.76 117.06 3lin s ALA 99 Ca 0.63 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 3lin s ALA 99 Cb -0.19 -0.94 0.03 0.00 0.00 0.00 0.00 23.12 22.01 3lin s ALA 99 CO 0.57 -0.72 -0.04 0.42 0.00 0.00 0.00 175.76 175.99 3lin s ILE 100 N 1.87 0.68 -0.33 0.00 1.01 0.90 -1.39 121.20 123.94 3lin s ILE 100 Ca 0.03 -0.08 -0.22 0.00 0.00 0.00 0.00 60.65 60.38 3lin s ILE 100 Cb -0.14 -0.76 -0.00 0.00 0.01 0.00 0.00 42.46 41.56 3lin s ILE 100 CO -0.07 0.31 0.70 -0.63 0.00 0.00 0.00 174.94 175.25 3lin s ILE 101 N 1.76 4.85 0.18 2.92 -1.09 0.94 -0.31 121.20 130.45 3lin s ILE 101 Ca 0.03 0.89 0.03 0.00 -2.23 0.00 0.00 60.65 59.37 3lin s ILE 101 Cb -0.13 -4.10 0.03 0.00 -1.58 0.00 0.00 42.46 36.68 3lin s ILE 101 CO -0.06 -0.27 0.22 0.61 -1.23 0.00 0.00 174.94 174.21 3lin n GLY 102 N 4.44 2.23 0.26 6.18 0.00 -1.26 -1.80 105.19 115.24 3lin n GLY 102 Ca 0.01 -2.18 0.13 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.08 1.61 3.08 -1.14 -1.70 114.38 116.15 3lin h ARG 103 Ca -0.09 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.97 3lin h ARG 103 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3lin h ARG 103 CO 0.14 0.13 0.00 0.38 -1.07 0.00 0.00 179.97 179.55 3lin h ASP 104 N 0.00 -0.02 -0.33 7.04 2.03 -1.81 0.12 116.42 123.44 3lin h ASP 104 Ca -0.00 0.02 -0.13 0.00 -0.73 0.00 0.00 57.03 56.19 3lin h ASP 104 Cb 0.42 0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 38.94 3lin h ASP 104 CO 0.02 0.00 -0.29 0.00 -1.03 0.00 0.00 179.24 177.94 3lin h ALA 105 N 1.07 0.48 -0.80 4.15 0.00 -1.82 -3.19 119.26 119.15 3lin h ALA 105 Ca 0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3lin h ALA 105 Cb 0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3lin h ALA 105 CO -0.06 0.50 0.46 -0.07 0.00 0.00 0.00 179.25 180.08 3lin h LEU 106 N 0.55 0.98 -0.64 0.00 3.38 -1.19 -1.89 115.31 116.50 3lin h LEU 106 Ca 0.06 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3lin h LEU 106 Cb 0.86 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3lin h LEU 106 CO 0.07 0.77 0.41 -0.61 0.09 0.00 0.00 178.44 179.17 3lin h GLN 107 N 1.11 0.81 0.00 1.13 4.15 -0.81 1.00 115.11 122.51 3lin h GLN 107 Ca 0.29 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.62 3lin h GLN 107 Cb -0.01 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 3lin h GLN 107 CO -0.05 0.54 -0.20 1.96 -1.93 0.00 0.00 178.83 179.14 3lin h GLN 108 N 0.83 0.00 -0.00 1.69 4.20 -1.34 -1.01 115.11 119.48 3lin h GLN 108 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3lin h GLN 108 Cb -0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3lin h GLN 108 CO -0.07 0.20 -0.00 0.00 -0.67 0.00 0.00 178.83 178.29 3lin n GLN 110 N -1.22 -3.53 -1.77 0.00 6.02 -0.38 -4.95 117.38 111.54 3lin n GLN 110 Ca 0.16 0.73 -0.37 0.00 -0.01 0.00 0.00 57.00 57.51 3lin n GLN 110 Cb 0.22 -5.47 0.06 0.00 1.02 0.00 0.00 30.24 26.07 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 -2.50 2.85 0.04 1.08 0.00 0.28 -5.01 107.32 104.05 3lin s GLY 111 Ca 0.24 1.19 -0.07 0.00 0.00 0.00 0.00 44.72 46.08 3lin s GLY 111 CO 0.29 1.62 0.12 -1.34 0.00 0.00 0.00 173.10 173.79 3lin s VAL 112 N -1.42 0.13 -0.13 1.40 -7.23 -1.26 -4.78 120.40 107.11 3lin s VAL 112 Ca 0.82 -1.03 -0.07 0.00 -1.81 0.00 0.00 61.98 59.88 3lin s VAL 112 Cb -0.37 -0.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.64 3lin s VAL 112 CO 0.39 -0.57 0.14 -0.76 -0.31 0.00 0.00 175.10 173.99 3lin s LEU 113 N -2.10 4.35 -0.09 1.32 1.43 -1.26 -5.08 118.68 117.25 3lin s LEU 113 Ca -0.05 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 3lin s LEU 113 Cb -0.01 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.16 3lin s LEU 113 CO -0.04 0.38 -0.08 -0.47 0.23 0.00 0.00 176.35 176.36 3lin s TYR 114 N -0.85 1.37 -0.27 0.29 5.04 -1.26 -5.09 117.35 116.58 3lin s TYR 114 Ca 0.14 -0.61 0.01 0.00 -2.44 0.00 0.00 57.07 54.17 3lin s TYR 114 Cb -0.12 -1.12 0.05 0.00 0.35 0.00 0.00 41.96 41.12 3lin s TYR 114 CO 0.03 -0.41 -0.07 -0.51 -1.34 0.00 0.00 175.55 173.25 3lin s LEU 115 N 1.34 3.45 0.00 6.97 1.02 -1.26 -5.17 118.68 125.04 3lin s LEU 115 Ca -0.02 -1.22 0.00 0.00 0.02 0.00 0.00 54.13 52.91 3lin s LEU 115 Cb -0.14 -1.61 0.00 0.00 0.02 0.00 0.00 46.19 44.46 3lin s LEU 115 CO -0.04 -0.19 0.43 -0.81 0.02 0.00 0.00 176.35 175.77