#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 -0.28 0.52 1.01 -1.26 -5.06 120.40 120.42 3lin s VAL 2 Ca 0.00 1.13 0.03 0.00 0.00 0.00 0.00 61.98 63.13 3lin s VAL 2 Cb 0.00 -3.89 0.07 0.00 0.00 0.00 0.00 36.38 32.56 3lin s VAL 2 CO 0.00 0.34 -0.05 -0.63 0.00 0.00 0.00 175.10 174.76 3lin s ILE 3 N 0.39 2.02 0.59 2.22 1.01 -1.26 -5.10 121.20 121.07 3lin s ILE 3 Ca 0.30 -1.71 -0.20 0.00 0.00 0.00 0.00 60.65 59.04 3lin s ILE 3 Cb -0.16 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 3lin s ILE 3 CO 0.14 -0.21 1.29 -2.16 0.00 0.00 0.00 174.94 174.00 3lin s PRO 4 N 1.13 2.89 -0.21 2.79 0.04 -1.26 -4.99 135.00 135.38 3lin s PRO 4 Ca -0.03 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.02 3lin s PRO 4 Cb -0.19 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 3lin s PRO 4 CO -0.07 -1.33 -0.02 -0.51 0.04 0.00 0.00 177.00 175.11 3lin s LEU 5 N -3.97 3.07 -0.04 -3.56 1.43 -1.26 -4.84 118.68 109.51 3lin s LEU 5 Ca 0.77 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.56 3lin s LEU 5 Cb -0.36 -1.78 0.03 0.00 0.03 0.00 0.00 46.19 44.10 3lin s LEU 5 CO 0.40 0.01 0.03 -0.62 0.23 0.00 0.00 176.35 176.41 3lin s ASP 6 N 1.29 0.75 0.56 2.29 -1.08 -1.26 -5.03 116.67 114.19 3lin s ASP 6 Ca 0.04 0.03 0.24 0.00 -0.52 0.00 0.00 52.55 52.34 3lin s ASP 6 Cb -0.14 -0.17 1.56 0.00 -1.46 0.00 0.00 42.92 42.70 3lin s ASP 6 CO -0.00 -0.18 2.16 1.55 0.52 0.00 0.00 175.17 179.22 3lin h PRO 7 N 7.88 0.00 0.00 4.34 0.13 -2.03 -2.55 132.00 139.77 3lin h PRO 7 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3lin h PRO 7 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3lin h PRO 7 CO 0.32 0.00 -0.35 0.00 -0.23 0.00 0.00 178.00 177.73 3lin n ALA 8 N -2.43 2.84 -3.71 -0.56 0.00 -1.26 -4.74 120.51 110.65 3lin n ALA 8 Ca -0.01 -0.20 -0.28 0.00 0.00 0.00 0.00 53.44 52.95 3lin n ALA 8 Cb 0.19 -1.27 -0.16 0.00 0.00 0.00 0.00 19.45 18.21 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 -3.08 0.58 0.25 0.00 0.52 -0.96 -5.12 118.95 111.14 3lin s ARG 9 Ca 0.10 -0.53 -0.31 0.00 -0.52 0.00 0.00 55.73 54.47 3lin s ARG 9 Cb 0.15 -1.98 -0.13 0.00 0.52 0.00 0.00 34.95 33.51 3lin s ARG 9 CO 0.66 -0.74 1.50 0.54 0.02 0.00 0.00 175.30 177.27 3lin n ARG 10 N 5.05 2.29 -2.36 3.54 1.74 -1.26 -4.32 116.66 121.34 3lin n ARG 10 Ca -0.07 0.82 -0.43 0.00 -0.77 0.00 0.00 57.85 57.40 3lin n ARG 10 Cb 0.46 -2.54 -0.02 0.00 -1.02 0.00 0.00 32.46 29.34 3lin n ARG 10 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3lin s PRO 11 N -0.22 3.56 0.31 5.56 0.04 -1.26 -4.98 135.00 138.00 3lin s PRO 11 Ca 0.68 0.89 0.08 0.00 0.04 0.00 0.00 61.00 62.69 3lin s PRO 11 Cb -0.60 -4.03 -0.06 0.00 0.04 0.00 0.00 34.50 29.85 3lin s PRO 11 CO 0.47 -1.59 -0.07 0.14 0.04 0.00 0.00 177.00 175.99 3lin s VAL 12 N 5.45 1.89 -0.06 -0.36 -7.23 -1.26 -0.72 120.40 118.12 3lin s VAL 12 Ca 0.60 -2.16 -0.18 0.00 -1.81 0.00 0.00 61.98 58.43 3lin s VAL 12 Cb -0.13 -2.53 0.04 0.00 0.56 0.00 0.00 36.38 34.31 3lin s VAL 12 CO 0.32 -0.26 0.42 -0.51 -0.31 0.00 0.00 175.10 174.76 3lin s ILE 13 N -2.84 0.03 -0.11 -0.62 2.07 -0.62 -4.90 121.20 114.20 3lin s ILE 13 Ca 0.31 -0.27 -0.22 0.00 -1.41 0.00 0.00 60.65 59.06 3lin s ILE 13 Cb 0.03 -0.70 -0.03 0.00 0.13 0.00 0.00 42.46 41.89 3lin s ILE 13 CO 0.14 -0.15 0.66 -0.54 -1.91 0.00 0.00 174.94 173.15 3lin s LYS 14 N -0.94 4.36 0.01 3.50 -0.14 -1.26 0.20 119.74 125.48 3lin s LYS 14 Ca -0.10 0.77 0.03 0.00 -1.36 0.00 0.00 55.97 55.31 3lin s LYS 14 Cb -0.04 -3.49 -0.01 0.00 -1.68 0.00 0.00 37.83 32.62 3lin s LYS 14 CO 0.05 -0.02 -0.09 0.00 -0.76 0.00 0.00 175.35 174.52 3lin s ALA 15 N 1.14 0.74 -0.20 5.17 0.00 -0.26 -4.13 121.76 124.21 3lin s ALA 15 Ca 0.34 -0.52 -0.22 0.00 0.00 0.00 0.00 51.96 51.55 3lin s ALA 15 Cb -0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 3lin s ALA 15 CO 0.15 0.14 0.70 -1.14 0.00 0.00 0.00 175.76 175.60 3lin s GLN 16 N -0.66 4.21 -0.19 0.00 0.74 0.16 -1.51 119.66 122.41 3lin s GLN 16 Ca 0.00 0.74 -0.05 0.00 0.05 0.00 0.00 55.36 56.10 3lin s GLN 16 Cb -0.05 -3.59 -0.03 0.00 1.10 0.00 0.00 33.01 30.43 3lin s GLN 16 CO 0.00 -0.32 0.01 0.08 -0.55 0.00 0.00 175.29 174.51 3lin s VAL 17 N 2.16 4.06 -0.35 1.34 1.01 0.17 -1.19 120.40 127.59 3lin s VAL 17 Ca 0.31 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.01 3lin s VAL 17 Cb -0.16 -2.83 0.09 0.00 0.00 0.00 0.00 36.38 33.48 3lin s VAL 17 CO 0.10 0.43 0.08 -0.62 0.00 0.00 0.00 175.10 175.10 3lin s ASP 18 N 0.88 4.95 0.00 3.32 2.15 -0.09 -1.71 116.67 126.17 3lin s ASP 18 Ca 0.01 -1.85 0.30 0.00 0.43 0.00 0.00 52.55 51.44 3lin s ASP 18 Cb -0.14 -1.72 1.52 0.00 -0.30 0.00 0.00 42.92 42.29 3lin s ASP 18 CO 0.02 -0.40 2.04 0.35 -0.17 0.00 0.00 175.17 177.01 3lin n THR 19 N 4.48 0.00 -1.27 1.71 -2.24 -1.26 -1.43 114.28 114.26 3lin n THR 19 Ca -0.04 -0.02 -0.09 0.00 -2.27 0.00 0.00 64.05 61.63 3lin n THR 19 Cb 0.42 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.22 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 -1.12 -1.37 0.00 -0.78 6.02 -1.26 -4.80 117.38 114.06 3lin n GLN 20 Ca 0.16 0.79 0.00 0.00 -0.01 0.00 0.00 57.00 57.94 3lin n GLN 20 Cb 0.22 -5.00 -0.00 0.00 1.02 0.00 0.00 30.24 26.48 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 -2.37 0.00 -3.84 5.09 -2.24 -1.26 -5.09 114.28 104.58 3lin n THR 21 Ca -0.09 -0.49 -0.05 0.00 -2.27 0.00 0.00 64.05 61.15 3lin n THR 21 Cb 0.49 1.00 0.01 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.63 -0.05 0.33 3.42 1.04 -1.26 -3.99 113.70 112.56 3lin s SER 22 Ca 0.00 -0.71 -0.29 0.00 0.48 0.00 0.00 55.95 55.43 3lin s SER 22 Cb 0.00 0.58 -0.10 0.00 0.10 0.00 0.00 66.02 66.60 3lin s SER 22 CO 0.01 -1.14 1.38 -1.00 0.98 0.00 0.00 173.24 173.48 3lin s HIS 23 N -2.54 2.93 0.59 5.02 0.09 -1.26 -4.61 115.29 115.51 3lin s HIS 23 Ca 0.18 1.27 -0.20 0.00 -0.00 0.00 0.00 55.06 56.31 3lin s HIS 23 Cb -0.03 -3.80 -0.04 0.00 -0.00 0.00 0.00 32.58 28.72 3lin s HIS 23 CO 0.06 -2.32 1.23 -2.30 -0.00 0.00 0.00 174.74 171.41 3lin n PRO 24 N 1.05 1.30 -4.10 8.40 -0.02 -1.26 -4.90 135.00 135.47 3lin n PRO 24 Ca 0.02 0.49 -0.15 0.00 -2.02 0.00 0.00 63.50 61.84 3lin n PRO 24 Cb 0.41 -2.44 -0.12 0.00 -0.02 0.00 0.00 33.50 31.33 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 -2.97 0.61 -0.20 -0.52 -0.14 -0.70 -4.95 119.74 110.87 3lin s LYS 25 Ca 0.76 -0.79 -0.11 0.00 -1.36 0.00 0.00 55.97 54.47 3lin s LYS 25 Cb -0.41 -0.44 -0.05 0.00 -1.68 0.00 0.00 37.83 35.25 3lin s LYS 25 CO 0.46 0.09 0.17 0.99 -0.76 0.00 0.00 175.35 176.30 3lin s THR 26 N -1.31 5.38 0.21 2.17 2.01 -1.26 0.44 115.64 123.28 3lin s THR 26 Ca -0.07 0.27 0.03 0.00 0.31 0.00 0.00 61.69 62.23 3lin s THR 26 Cb -0.10 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 3lin s THR 26 CO 0.01 0.42 -0.01 0.27 -0.69 0.00 0.00 174.62 174.62 3lin s ILE 27 N 0.47 0.95 -0.10 1.82 -4.36 -0.57 -4.93 121.20 114.47 3lin s ILE 27 Ca 0.10 -2.02 -0.18 0.00 -0.26 0.00 0.00 60.65 58.29 3lin s ILE 27 Cb -0.12 -2.27 -0.04 0.00 1.25 0.00 0.00 42.46 41.27 3lin s ILE 27 CO 0.00 -0.37 0.47 -0.70 0.24 0.00 0.00 174.94 174.58 3lin s GLU 28 N -3.87 4.30 0.05 0.37 2.12 -1.26 -1.10 118.70 119.30 3lin s GLU 28 Ca 0.27 0.45 0.07 0.00 0.36 0.00 0.00 54.97 56.12 3lin s GLU 28 Cb 0.06 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 3lin s GLU 28 CO 0.07 0.22 -0.18 0.00 -0.54 0.00 0.00 175.26 174.83 3lin s ALA 29 N 0.42 1.54 0.05 6.30 0.00 0.13 -4.69 121.76 125.51 3lin s ALA 29 Ca 0.26 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 3lin s ALA 29 Cb -0.15 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 3lin s ALA 29 CO 0.11 0.32 1.15 -1.17 0.00 0.00 0.00 175.76 176.17 3lin s LEU 30 N -1.29 4.37 -0.47 0.00 2.96 -0.30 -1.59 118.68 122.36 3lin s LEU 30 Ca 0.05 1.94 -0.26 0.00 -0.22 0.00 0.00 54.13 55.64 3lin s LEU 30 Cb -0.09 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 43.05 3lin s LEU 30 CO 0.02 -0.42 0.96 -0.76 -1.32 0.00 0.00 176.35 174.83 3lin s LEU 31 N 1.04 3.95 -0.36 -0.68 1.43 0.10 -0.23 118.68 123.93 3lin s LEU 31 Ca 0.57 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.82 3lin s LEU 31 Cb -0.28 -3.22 0.11 0.00 0.03 0.00 0.00 46.19 42.83 3lin s LEU 31 CO 0.29 -1.10 0.12 -0.62 0.23 0.00 0.00 176.35 175.27 3lin s ASP 32 N 2.35 4.27 0.28 2.29 -1.08 -0.38 -4.80 116.67 119.60 3lin s ASP 32 Ca 0.38 -2.13 0.24 0.00 -0.52 0.00 0.00 52.55 50.52 3lin s ASP 32 Cb -0.10 -1.25 1.02 0.00 -1.46 0.00 0.00 42.92 41.13 3lin s ASP 32 CO 0.27 -0.36 1.72 0.35 0.52 0.00 0.00 175.17 177.67 3lin n THR 33 N 4.24 0.84 0.91 1.71 -2.24 -1.26 -1.83 114.28 116.64 3lin n THR 33 Ca 0.03 0.28 0.09 0.00 -2.27 0.00 0.00 64.05 62.17 3lin n THR 33 Cb 0.40 -1.22 0.28 0.00 -2.10 0.00 0.00 70.33 67.68 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 -0.12 0.70 3.54 3.38 0.00 -1.26 -4.80 105.19 106.62 3lin n GLY 34 Ca 0.02 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.61 3.31 0.31 4.61 0.00 -0.76 -4.96 121.76 122.65 3lin s ALA 35 Ca 0.31 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.35 3lin s ALA 35 Cb 0.17 -2.10 0.51 0.00 0.00 0.00 0.00 23.12 21.69 3lin s ALA 35 CO 0.23 -0.27 1.73 -0.44 0.00 0.00 0.00 175.76 177.01 3lin h ASP 36 N 7.74 0.22 -4.86 0.00 3.32 -1.87 0.66 116.42 121.63 3lin h ASP 36 Ca -0.37 -0.09 -0.20 0.00 0.02 0.00 0.00 57.03 56.39 3lin h ASP 36 Cb 1.18 -0.06 -0.21 0.00 0.22 0.00 0.00 39.33 40.45 3lin h ASP 36 CO 0.61 0.59 -0.71 -0.04 -1.72 0.00 0.00 179.24 177.98 3lin s MET 37 N -4.19 0.35 0.42 3.56 -1.94 -1.26 -3.67 119.30 112.57 3lin s MET 37 Ca -0.04 -0.62 -0.23 0.00 -1.71 0.00 0.00 55.69 53.08 3lin s MET 37 Cb 0.14 -0.00 -0.09 0.00 2.01 0.00 0.00 34.83 36.89 3lin s MET 37 CO 0.76 -0.02 1.07 0.99 -0.01 0.00 0.00 175.02 177.82 3lin s THR 38 N -1.37 3.60 -0.07 2.05 2.01 -1.26 -4.33 115.64 116.28 3lin s THR 38 Ca -0.14 1.20 0.05 0.00 0.31 0.00 0.00 61.69 63.12 3lin s THR 38 Cb -0.10 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 3lin s THR 38 CO -0.01 -0.02 -0.23 -0.69 -0.69 0.00 0.00 174.62 172.98 3lin s VAL 39 N -1.66 1.96 -0.04 3.82 1.01 0.13 -0.94 120.40 124.69 3lin s VAL 39 Ca 0.60 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.64 3lin s VAL 39 Cb -0.23 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 3lin s VAL 39 CO 0.28 0.54 -0.23 -0.63 0.00 0.00 0.00 175.10 175.07 3lin s ILE 40 N 0.06 1.84 0.44 2.22 -1.09 -0.23 -1.51 121.20 122.92 3lin s ILE 40 Ca -0.09 -0.97 -0.25 0.00 -2.23 0.00 0.00 60.65 57.11 3lin s ILE 40 Cb -0.15 -1.54 -0.08 0.00 -1.58 0.00 0.00 42.46 39.11 3lin s ILE 40 CO 0.05 0.52 1.26 -2.84 -1.23 0.00 0.00 174.94 172.70 3lin s PRO 41 N -0.32 3.81 0.53 2.79 0.02 -1.07 -0.50 135.00 140.26 3lin s PRO 41 Ca 0.03 2.04 0.20 0.00 0.02 0.00 0.00 61.00 63.28 3lin s PRO 41 Cb -0.11 -2.59 1.41 0.00 0.02 0.00 0.00 34.50 33.23 3lin s PRO 41 CO 0.01 -0.59 2.16 0.97 -0.33 0.00 0.00 177.00 179.22 3lin h ILE 42 N 2.16 0.86 0.00 2.83 2.10 -1.76 -2.37 117.51 121.33 3lin h ILE 42 Ca -0.50 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.35 3lin h ILE 42 Cb 1.25 1.05 0.00 0.00 -1.09 0.00 0.00 36.82 38.04 3lin h ILE 42 CO 0.61 0.03 0.00 0.00 -1.08 0.00 0.00 178.15 177.71 3lin h ALA 43 N 1.97 1.00 0.00 0.18 0.00 -1.90 -0.77 119.26 119.75 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 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3lin h ALA 43 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3lin n LEU 44 N -2.92 0.02 -4.89 0.00 4.77 -0.89 -4.82 117.00 108.26 3lin n LEU 44 Ca -0.02 0.50 -0.32 0.00 -0.03 0.00 0.00 56.01 56.14 3lin n LEU 44 Cb 0.09 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.63 3lin n LEU 44 CO 0.19 -0.03 0.06 -0.36 -1.33 0.00 0.00 177.39 175.91 3lin s PHE 45 N -3.00 3.48 0.44 -1.77 0.40 -0.30 -4.64 117.98 112.59 3lin s PHE 45 Ca 0.13 0.63 -0.24 0.00 -0.60 0.00 0.00 56.93 56.85 3lin s PHE 45 Cb 0.18 -2.06 -0.10 0.00 0.51 0.00 0.00 43.02 41.55 3lin s PHE 45 CO 0.50 0.43 1.09 -1.13 0.70 0.00 0.00 175.22 176.80 3lin n SER 46 N 0.20 1.60 -0.31 1.36 3.41 -1.26 -4.90 113.62 113.73 3lin n SER 46 Ca -0.03 1.03 0.14 0.00 -0.26 0.00 0.00 58.87 59.76 3lin n SER 46 Cb 0.52 -1.40 0.32 0.00 -0.26 0.00 0.00 64.21 63.39 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 1.60 0.22 -0.07 4.04 0.02 -1.94 -2.02 113.55 115.41 3lin h SER 47 Ca -0.46 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3lin h SER 47 Cb 1.33 0.19 0.00 0.00 0.14 0.00 0.00 62.40 64.06 3lin h SER 47 CO 0.57 -0.08 0.00 0.59 -1.14 0.00 0.00 176.83 176.77 3lin n ASN 48 N -5.12 2.30 -4.69 3.07 3.02 -1.26 -5.02 115.26 107.57 3lin n ASN 48 Ca 0.23 -1.77 -0.43 0.00 -0.03 0.00 0.00 54.58 52.58 3lin n ASN 48 Cb 0.71 -0.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.84 3lin n ASN 48 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3lin n THR 49 N 0.79 1.83 -2.34 3.41 -2.24 -0.76 -4.90 114.28 110.06 3lin n THR 49 Ca 0.17 -0.46 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 3lin n THR 49 Cb 0.48 -1.51 -0.03 0.00 -2.10 0.00 0.00 70.33 67.16 3lin n THR 49 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3lin s PRO 50 N -1.61 4.39 0.16 -0.78 0.04 -1.26 -5.03 135.00 130.90 3lin s PRO 50 Ca 0.58 1.87 0.06 0.00 0.04 0.00 0.00 61.00 63.55 3lin s PRO 50 Cb -0.59 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 30.58 3lin s PRO 50 CO 0.60 -0.33 -0.14 -0.51 0.04 0.00 0.00 177.00 176.66 3lin s LEU 51 N 1.14 2.48 -0.10 -3.56 1.43 -1.26 -4.10 118.68 114.72 3lin s LEU 51 Ca 0.61 -0.92 -0.04 0.00 -1.03 0.00 0.00 54.13 52.74 3lin s LEU 51 Cb -0.32 -0.57 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 3lin s LEU 51 CO 0.29 -0.18 0.07 -0.54 0.23 0.00 0.00 176.35 176.22 3lin s LYS 52 N -3.20 3.19 0.54 1.70 1.02 -0.09 -4.91 119.74 117.98 3lin s LYS 52 Ca 0.15 -0.29 -0.22 0.00 0.02 0.00 0.00 55.97 55.64 3lin s LYS 52 Cb -0.02 -2.97 -0.05 0.00 -0.52 0.00 0.00 37.83 34.26 3lin s LYS 52 CO 0.04 0.74 1.33 0.09 -0.92 0.00 0.00 175.35 176.62 3lin n ASN 53 N 2.02 2.55 -3.64 2.83 4.13 -1.26 -0.87 115.26 121.03 3lin n ASN 53 Ca -0.19 0.98 -0.10 0.00 1.68 0.00 0.00 54.58 56.94 3lin n ASN 53 Cb 0.54 -1.56 -0.04 0.00 -1.54 0.00 0.00 39.78 37.18 3lin n ASN 53 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3lin s THR 54 N -1.29 0.05 -0.11 3.41 -1.32 -1.25 -4.68 115.64 110.43 3lin s THR 54 Ca 0.71 -0.57 -0.00 0.00 -1.21 0.00 0.00 61.69 60.62 3lin s THR 54 Cb -0.42 -1.28 -0.02 0.00 -1.51 0.00 0.00 72.50 69.27 3lin s THR 54 CO 0.50 -0.21 -0.09 -0.55 -2.21 0.00 0.00 174.62 172.06 3lin s SER 55 N -2.82 4.41 -0.01 8.08 0.15 -1.26 -4.34 113.70 117.90 3lin s SER 55 Ca 0.05 -0.17 0.03 0.00 0.70 0.00 0.00 55.95 56.55 3lin s SER 55 Cb 0.01 -1.44 -0.00 0.00 -1.71 0.00 0.00 66.02 62.87 3lin s SER 55 CO -0.09 0.24 -0.09 -0.69 1.20 0.00 0.00 173.24 173.81 3lin s VAL 56 N -0.10 0.75 -0.24 4.45 1.01 0.36 -4.97 120.40 121.67 3lin s VAL 56 Ca 0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 3lin s VAL 56 Cb -0.13 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 3lin s VAL 56 CO 0.03 0.22 0.09 -0.22 0.00 0.00 0.00 175.10 175.22 3lin s LEU 57 N -0.07 3.66 0.00 3.92 0.20 -1.26 0.33 118.68 125.45 3lin s LEU 57 Ca 0.01 -0.08 0.04 0.00 0.69 0.00 0.00 54.13 54.79 3lin s LEU 57 Cb -0.05 -1.97 -0.02 0.00 -0.43 0.00 0.00 46.19 43.72 3lin s LEU 57 CO -0.00 0.02 0.16 0.61 -0.29 0.00 0.00 176.35 176.85 3lin n GLY 58 N 4.54 3.34 0.37 7.98 0.00 -1.04 -4.99 105.19 115.39 3lin n GLY 58 Ca -0.16 -1.94 -0.01 0.00 0.00 0.00 0.00 46.02 43.91 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 1.64 1.36 0.00 4.61 0.00 -2.02 0.68 119.26 125.53 3lin h ALA 59 Ca -0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3lin h ALA 59 Cb 0.88 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3lin h ALA 59 CO 0.31 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.55 3lin n GLY 60 N -1.39 -0.68 0.00 0.00 0.00 -1.26 -4.99 105.19 96.86 3lin n GLY 60 Ca 0.11 -0.06 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 -0.24 -1.49 3.75 -0.02 0.00 0.23 -5.03 105.19 102.40 3lin n GLY 61 Ca 0.06 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.37 4.50 -0.02 1.61 2.00 -1.26 -2.48 119.66 123.64 3lin s GLN 62 Ca 0.00 1.97 0.01 0.00 -2.00 0.00 0.00 55.36 55.34 3lin s GLN 62 Cb 0.00 -3.17 0.01 0.00 0.80 0.00 0.00 33.01 30.66 3lin s GLN 62 CO 0.00 -0.02 -0.02 -0.08 -0.50 0.00 0.00 175.29 174.67 3lin s THR 63 N -0.77 0.23 -0.50 -0.34 -1.32 0.15 -4.98 115.64 108.12 3lin s THR 63 Ca 0.49 -0.03 0.12 0.00 -1.21 0.00 0.00 61.69 61.06 3lin s THR 63 Cb -0.35 -0.26 -0.14 0.00 -1.51 0.00 0.00 72.50 70.24 3lin s THR 63 CO 0.43 0.11 0.48 0.00 -2.21 0.00 0.00 174.62 173.44 3lin n GLN 64 N 3.59 2.63 -0.10 7.08 6.02 -1.26 -0.49 117.38 134.86 3lin n GLN 64 Ca -0.20 -0.02 -0.15 0.00 -0.01 0.00 0.00 57.00 56.63 3lin n GLN 64 Cb 0.54 -1.10 -0.14 0.00 1.02 0.00 0.00 30.24 30.56 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 -1.37 1.17 -0.21 1.08 8.00 -1.26 -4.46 116.55 119.50 3lin n ASP 65 Ca 0.02 -0.02 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 3lin n ASP 65 Cb 0.21 0.11 0.02 0.00 -0.02 0.00 0.00 41.12 41.44 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 0.01 1.10 -3.87 1.24 3.86 -1.91 -3.45 115.15 112.13 3lin h HIS 66 Ca -0.53 -0.17 -0.68 0.00 -1.16 0.00 0.00 60.37 57.82 3lin h HIS 66 Cb 2.05 -0.29 -0.21 0.00 1.06 0.00 0.00 27.41 30.02 3lin h HIS 66 CO 0.02 0.96 -0.78 -0.06 0.86 0.00 0.00 177.93 178.93 3lin s PHE 67 N -5.11 2.62 0.34 2.45 0.08 -1.26 -0.97 117.98 116.13 3lin s PHE 67 Ca -0.12 -0.22 0.10 0.00 0.12 0.00 0.00 56.93 56.81 3lin s PHE 67 Cb 0.13 -1.47 -0.06 0.00 -0.57 0.00 0.00 43.02 41.05 3lin s PHE 67 CO 0.84 0.29 -0.08 0.15 -0.10 0.00 0.00 175.22 176.32 3lin s LYS 68 N -1.55 1.85 -0.03 0.44 -0.14 -0.48 -3.97 119.74 115.87 3lin s LYS 68 Ca 0.16 -1.90 -0.07 0.00 -1.36 0.00 0.00 55.97 52.79 3lin s LYS 68 Cb -0.11 -1.74 -0.05 0.00 -1.68 0.00 0.00 37.83 34.26 3lin s LYS 68 CO 0.07 0.15 0.24 -1.17 -0.76 0.00 0.00 175.35 173.87 3lin s LEU 69 N -3.62 4.39 0.74 3.17 2.96 -0.05 0.01 118.68 126.27 3lin s LEU 69 Ca 0.33 0.55 -0.14 0.00 -0.22 0.00 0.00 54.13 54.65 3lin s LEU 69 Cb 0.02 -2.50 0.04 0.00 0.50 0.00 0.00 46.19 44.25 3lin s LEU 69 CO 0.17 0.30 1.16 0.42 -1.32 0.00 0.00 176.35 177.08 3lin s THR 70 N -1.21 2.66 -0.11 3.68 -4.23 -0.50 -0.91 115.64 115.01 3lin s THR 70 Ca 0.24 0.29 0.16 0.00 -1.18 0.00 0.00 61.69 61.20 3lin s THR 70 Cb -0.13 -2.77 -0.23 0.00 1.34 0.00 0.00 72.50 70.72 3lin s THR 70 CO 0.13 -0.20 0.46 -1.20 -0.54 0.00 0.00 174.62 173.26 3lin n SER 71 N -2.91 0.49 -4.47 3.99 7.64 -1.26 -4.70 113.62 112.41 3lin n SER 71 Ca 0.12 0.23 -0.28 0.00 1.01 0.00 0.00 58.87 59.95 3lin n SER 71 Cb 0.51 0.48 -0.11 0.00 -1.01 0.00 0.00 64.21 64.08 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 -5.73 2.60 0.93 -3.43 1.43 -1.26 -5.06 118.68 108.17 3lin s LEU 72 Ca -0.07 -0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 52.24 3lin s LEU 72 Cb 0.08 -1.41 0.08 0.00 0.03 0.00 0.00 46.19 44.96 3lin s LEU 72 CO 0.83 0.15 0.69 -2.65 0.23 0.00 0.00 176.35 175.61 3lin n PRO 73 N 0.57 -0.34 -5.00 1.29 -0.02 -1.21 -4.77 135.00 125.52 3lin n PRO 73 Ca -0.15 -0.05 -0.32 0.00 -2.02 0.00 0.00 63.50 60.96 3lin n PRO 73 Cb 0.54 -2.06 -0.15 0.00 -0.02 0.00 0.00 33.50 31.81 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 -2.47 2.66 -0.13 -1.45 1.01 0.03 -4.60 120.40 115.46 3lin s VAL 74 Ca 0.61 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 3lin s VAL 74 Cb -0.22 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 3lin s VAL 74 CO 0.64 0.56 -0.03 -0.76 0.00 0.00 0.00 175.10 175.51 3lin s LEU 75 N -0.14 3.34 -0.10 3.92 1.02 -0.51 -1.18 118.68 125.02 3lin s LEU 75 Ca -0.02 -0.04 0.01 0.00 0.02 0.00 0.00 54.13 54.10 3lin s LEU 75 Cb -0.14 -1.78 0.02 0.00 0.02 0.00 0.00 46.19 44.31 3lin s LEU 75 CO 0.04 0.25 -0.11 -0.63 0.02 0.00 0.00 176.35 175.91 3lin s ILE 76 N -0.11 1.18 -0.16 -0.59 1.01 -0.02 -0.91 121.20 121.61 3lin s ILE 76 Ca 0.03 -0.45 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 3lin s ILE 76 Cb -0.13 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 3lin s ILE 76 CO 0.02 0.38 -0.05 -0.13 0.00 0.00 0.00 174.94 175.17 3lin s ARG 77 N 1.15 3.58 0.22 2.79 0.52 -0.34 -0.06 118.95 126.81 3lin s ARG 77 Ca -0.05 -0.56 0.00 0.00 -0.52 0.00 0.00 55.73 54.60 3lin s ARG 77 Cb -0.14 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 32.39 3lin s ARG 77 CO -0.02 0.15 0.40 -0.51 0.02 0.00 0.00 175.30 175.34 3lin s LEU 78 N 0.58 4.22 0.34 2.53 1.43 -1.26 -0.66 118.68 125.86 3lin s LEU 78 Ca -0.03 0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.46 3lin s LEU 78 Cb -0.15 -3.13 0.67 0.00 0.03 0.00 0.00 46.19 43.62 3lin s LEU 78 CO 0.03 -0.07 1.95 -0.65 0.23 0.00 0.00 176.35 177.84 3lin h PRO 79 N 1.76 0.82 -0.02 1.29 0.11 -2.00 -2.66 132.00 131.30 3lin h PRO 79 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3lin h PRO 79 Cb 1.20 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3lin h PRO 79 CO 0.66 0.54 -0.09 1.97 -0.21 0.00 0.00 178.00 180.88 3lin n PHE 80 N -4.48 0.00 -4.82 0.65 -1.74 -1.26 -4.89 117.46 100.93 3lin n PHE 80 Ca 0.11 0.00 -0.26 0.00 -0.56 0.00 0.00 57.45 56.75 3lin n PHE 80 Cb 0.21 -0.02 -0.16 0.00 1.52 0.00 0.00 39.48 41.03 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 -2.12 1.67 0.01 3.97 0.52 -1.00 -5.05 118.95 116.95 3lin s ARG 81 Ca 0.31 -0.60 -0.16 0.00 -0.52 0.00 0.00 55.73 54.76 3lin s ARG 81 Cb 0.20 -1.49 -0.34 0.00 0.52 0.00 0.00 34.95 33.84 3lin s ARG 81 CO 0.37 0.27 0.92 1.79 0.02 0.00 0.00 175.30 178.67 3lin h THR 82 N 5.15 1.24 -3.50 0.02 1.35 -1.90 -3.38 112.91 111.89 3lin h THR 82 Ca -0.33 -2.64 -0.52 0.00 -0.55 0.00 0.00 66.41 62.36 3lin h THR 82 Cb 1.17 3.01 0.02 0.00 -1.73 0.00 0.00 68.15 70.62 3lin h THR 82 CO 0.48 0.81 0.56 -0.89 -0.25 0.00 0.00 175.52 176.22 3lin s THR 83 N -2.58 3.55 0.28 6.82 2.01 -1.26 -5.02 115.64 119.45 3lin s THR 83 Ca -0.11 1.32 -0.28 0.00 0.31 0.00 0.00 61.69 62.93 3lin s THR 83 Cb 0.04 -3.84 -0.09 0.00 0.01 0.00 0.00 72.50 68.61 3lin s THR 83 CO 0.92 0.22 0.95 -2.16 -0.69 0.00 0.00 174.62 173.85 3lin s PRO 84 N -0.30 4.71 0.28 4.92 0.04 -1.26 -4.75 135.00 138.64 3lin s PRO 84 Ca 0.52 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 62.70 3lin s PRO 84 Cb -0.33 -3.04 -0.10 0.00 0.04 0.00 0.00 34.50 31.07 3lin s PRO 84 CO 0.37 0.39 1.36 0.42 0.04 0.00 0.00 177.00 179.57 3lin s ILE 85 N -1.39 2.77 -0.26 0.56 1.01 0.91 -4.83 121.20 119.97 3lin s ILE 85 Ca 0.46 0.70 0.02 0.00 0.00 0.00 0.00 60.65 61.83 3lin s ILE 85 Cb -0.23 -3.45 0.06 0.00 0.01 0.00 0.00 42.46 38.85 3lin s ILE 85 CO 0.28 0.14 -0.10 -0.69 0.00 0.00 0.00 174.94 174.57 3lin s VAL 86 N -0.49 2.27 -0.33 2.92 1.01 -1.26 -0.84 120.40 123.68 3lin s VAL 86 Ca 0.54 -1.56 -0.15 0.00 0.00 0.00 0.00 61.98 60.81 3lin s VAL 86 Cb -0.40 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 3lin s VAL 86 CO 0.47 -0.00 0.36 -0.76 0.00 0.00 0.00 175.10 175.16 3lin s LEU 87 N 1.13 4.35 0.23 3.92 1.43 -0.33 -4.97 118.68 124.44 3lin s LEU 87 Ca -0.08 -0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 52.81 3lin s LEU 87 Cb -0.20 -2.34 0.26 0.00 0.03 0.00 0.00 46.19 43.94 3lin s LEU 87 CO -0.05 -0.30 1.86 0.74 0.23 0.00 0.00 176.35 178.83 3lin h THR 88 N 5.51 1.10 -3.40 5.49 2.02 -1.94 0.13 112.91 121.82 3lin h THR 88 Ca -0.30 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.44 3lin h THR 88 Cb 1.15 0.03 -0.17 0.00 -1.74 0.00 0.00 68.15 67.42 3lin h THR 88 CO 0.68 0.18 -0.31 -0.55 0.37 0.00 0.00 175.52 175.89 3lin s SER 89 N -5.81 -0.06 0.29 4.18 0.15 -1.26 -3.36 113.70 107.83 3lin s SER 89 Ca -0.13 -0.26 -0.03 0.00 0.70 0.00 0.00 55.95 56.24 3lin s SER 89 Cb 0.17 0.33 0.01 0.00 -1.71 0.00 0.00 66.02 64.82 3lin s SER 89 CO 0.79 -0.59 0.42 0.00 1.20 0.00 0.00 173.24 175.06 3lin s LEU 91 N 0.00 3.96 -0.09 0.00 1.43 -0.11 -1.41 118.68 122.46 3lin s LEU 91 Ca 0.22 1.31 0.02 0.00 -1.03 0.00 0.00 54.13 54.66 3lin s LEU 91 Cb -0.01 -4.15 0.01 0.00 0.03 0.00 0.00 46.19 42.07 3lin s LEU 91 CO 0.16 -0.30 -0.15 -0.69 0.23 0.00 0.00 176.35 175.60 3lin s VAL 92 N -2.14 1.43 -0.52 -1.59 1.01 0.10 -1.07 120.40 117.61 3lin s VAL 92 Ca 0.55 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.68 3lin s VAL 92 Cb -0.10 -1.29 0.05 0.00 0.00 0.00 0.00 36.38 35.04 3lin s VAL 92 CO 0.21 0.42 0.78 -0.62 0.00 0.00 0.00 175.10 175.89 3lin s ASP 93 N 0.75 6.28 0.28 3.32 2.15 0.34 -1.38 116.67 128.42 3lin s ASP 93 Ca -0.12 -0.61 0.25 0.00 0.43 0.00 0.00 52.55 52.50 3lin s ASP 93 Cb -0.16 -2.36 0.96 0.00 -0.30 0.00 0.00 42.92 41.06 3lin s ASP 93 CO 0.02 -1.05 1.75 0.71 -0.17 0.00 0.00 175.17 176.44 3lin h THR 94 N 5.94 0.00 0.00 1.71 1.35 -1.37 -2.36 112.91 118.18 3lin h THR 94 Ca -0.27 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 3lin h THR 94 Cb 1.08 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3lin h THR 94 CO 1.02 0.00 -0.01 0.29 -0.25 0.00 0.00 175.52 176.57 3lin n LYS 95 N -2.36 0.00 -0.26 4.72 5.02 -1.26 -4.88 118.16 119.13 3lin n LYS 95 Ca 0.03 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.39 3lin n LYS 95 Cb 0.30 -0.14 0.21 0.00 -0.02 0.00 0.00 35.03 35.38 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 -2.53 2.65 -3.68 4.39 4.13 -1.26 -4.93 115.26 114.03 3lin n ASN 96 Ca -0.00 -2.04 -0.21 0.00 1.68 0.00 0.00 54.58 54.01 3lin n ASN 96 Cb 0.00 -0.34 -0.05 0.00 -1.54 0.00 0.00 39.78 37.85 3lin n ASN 96 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3lin n ASN 97 N 0.87 0.11 -4.77 6.41 5.03 -1.26 -4.95 115.26 116.70 3lin n ASN 97 Ca 0.16 -0.80 -0.40 0.00 0.87 0.00 0.00 54.58 54.42 3lin n ASN 97 Cb 0.43 -0.99 -0.00 0.00 -1.02 0.00 0.00 39.78 38.20 3lin n ASN 97 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3lin s TRP 98 N -3.90 2.78 -0.16 3.10 0.52 -1.26 -4.75 118.94 115.26 3lin s TRP 98 Ca 0.05 1.38 0.00 0.00 0.02 0.00 0.00 56.10 57.55 3lin s TRP 98 Cb -0.03 -3.72 0.04 0.00 -1.15 0.00 0.00 33.47 28.61 3lin s TRP 98 CO 0.62 -2.23 -0.09 0.00 0.02 0.00 0.00 176.95 175.27 3lin s ALA 99 N -1.24 1.71 -0.05 0.98 0.00 -1.26 -2.58 121.76 119.31 3lin s ALA 99 Ca 0.57 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 3lin s ALA 99 Cb -0.39 -1.13 0.03 0.00 0.00 0.00 0.00 23.12 21.63 3lin s ALA 99 CO 0.51 -0.65 0.03 0.42 0.00 0.00 0.00 175.76 176.06 3lin s ILE 100 N 1.54 0.13 -0.40 0.00 1.01 -0.57 -1.15 121.20 121.76 3lin s ILE 100 Ca 0.02 0.25 -0.24 0.00 0.00 0.00 0.00 60.65 60.68 3lin s ILE 100 Cb -0.15 -0.32 0.02 0.00 0.01 0.00 0.00 42.46 42.02 3lin s ILE 100 CO -0.09 0.20 0.81 -0.63 0.00 0.00 0.00 174.94 175.24 3lin s ILE 101 N 1.88 4.67 0.00 2.92 -1.09 0.68 -0.69 121.20 129.57 3lin s ILE 101 Ca 0.02 0.78 0.00 0.00 -2.23 0.00 0.00 60.65 59.22 3lin s ILE 101 Cb -0.12 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 3lin s ILE 101 CO -0.04 -0.56 0.00 0.61 -1.23 0.00 0.00 174.94 173.72 3lin n GLY 102 N 4.68 1.68 0.25 6.18 0.00 -1.26 -1.25 105.19 115.47 3lin n GLY 102 Ca 0.04 -2.08 0.13 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.51 1.61 3.08 -1.01 -1.98 114.38 115.56 3lin h ARG 103 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 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 0.14 0.28 0.38 -1.07 0.00 0.00 179.97 179.70 3lin h ASP 104 N 0.00 0.64 0.46 7.04 2.03 -1.81 0.08 116.42 124.85 3lin h ASP 104 Ca -0.00 -0.09 -0.31 0.00 -0.73 0.00 0.00 57.03 55.91 3lin h ASP 104 Cb 0.56 -0.16 0.02 0.00 -0.83 0.00 0.00 39.33 38.91 3lin h ASP 104 CO 0.02 0.54 -1.37 0.00 -1.03 0.00 0.00 179.24 177.40 3lin h ALA 105 N 1.12 -0.02 -0.56 4.15 0.00 -1.83 -3.18 119.26 118.94 3lin h ALA 105 Ca 0.18 -0.88 -0.08 0.00 0.00 0.00 0.00 54.91 54.12 3lin h ALA 105 Cb 0.04 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3lin h ALA 105 CO -0.03 0.85 0.02 -0.07 0.00 0.00 0.00 179.25 180.02 3lin h LEU 106 N 0.11 0.93 -0.49 0.00 3.38 -1.26 -2.22 115.31 115.75 3lin h LEU 106 Ca -0.19 -0.24 0.09 0.00 0.09 0.00 0.00 57.88 57.63 3lin h LEU 106 Cb 2.07 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 42.49 3lin h LEU 106 CO 0.24 0.97 0.02 -0.61 0.09 0.00 0.00 178.44 179.15 3lin h GLN 107 N 0.89 0.13 0.00 1.13 4.15 -1.06 0.30 115.11 120.65 3lin h GLN 107 Ca 0.17 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.52 3lin h GLN 107 Cb 0.49 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 3lin h GLN 107 CO 0.02 0.09 -0.26 1.96 -1.93 0.00 0.00 178.83 178.71 3lin h GLN 108 N 0.14 0.00 -0.65 1.69 4.20 -1.39 -1.74 115.11 117.36 3lin h GLN 108 Ca 0.25 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.86 3lin h GLN 108 Cb 0.37 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.09 3lin h GLN 108 CO -0.40 0.26 0.13 0.00 -0.67 0.00 0.00 178.83 178.15 3lin n GLN 110 N 0.23 -2.88 -1.89 0.00 6.02 -0.65 -4.95 117.38 113.26 3lin n GLN 110 Ca 0.34 0.78 -0.39 0.00 -0.01 0.00 0.00 57.00 57.71 3lin n GLN 110 Cb 1.29 -5.48 0.01 0.00 1.02 0.00 0.00 30.24 27.09 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 -2.30 2.91 0.09 1.08 0.00 0.96 -5.00 107.32 105.06 3lin s GLY 111 Ca 0.13 1.35 0.03 0.00 0.00 0.00 0.00 44.72 46.23 3lin s GLY 111 CO 0.16 1.93 -0.08 -1.34 0.00 0.00 0.00 173.10 173.78 3lin s VAL 112 N -1.25 0.77 -0.03 1.40 -7.23 -1.26 -4.74 120.40 108.05 3lin s VAL 112 Ca 0.62 -1.71 -0.18 0.00 -1.81 0.00 0.00 61.98 58.91 3lin s VAL 112 Cb -0.41 -1.41 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 3lin s VAL 112 CO 0.52 -0.69 0.49 -0.76 -0.31 0.00 0.00 175.10 174.35 3lin s LEU 113 N -2.62 4.40 -0.15 1.32 1.43 -1.26 -5.08 118.68 116.71 3lin s LEU 113 Ca 0.06 0.99 0.01 0.00 -1.03 0.00 0.00 54.13 54.16 3lin s LEU 113 Cb 0.00 -2.73 0.02 0.00 0.03 0.00 0.00 46.19 43.51 3lin s LEU 113 CO -0.02 0.16 -0.16 -0.47 0.23 0.00 0.00 176.35 176.09 3lin s TYR 114 N -0.32 2.32 -0.29 0.29 5.04 -1.26 -5.09 117.35 118.05 3lin s TYR 114 Ca 0.26 -1.31 -0.03 0.00 -2.44 0.00 0.00 57.07 53.56 3lin s TYR 114 Cb -0.17 -1.67 0.04 0.00 0.35 0.00 0.00 41.96 40.51 3lin s TYR 114 CO 0.14 -0.69 -0.00 -0.51 -1.34 0.00 0.00 175.55 173.14 3lin s LEU 115 N 1.39 3.72 0.00 6.97 1.43 -1.26 -5.15 118.68 125.78 3lin s LEU 115 Ca 0.04 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.05 3lin s LEU 115 Cb -0.13 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.36 3lin s LEU 115 CO -0.10 -0.22 0.48 -0.81 0.23 0.00 0.00 176.35 175.93