#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 5.07 -0.30 0.52 1.01 -1.26 -5.06 120.40 120.38 3lin s VAL 2 Ca 0.00 1.08 -0.05 0.00 0.00 0.00 0.00 61.98 63.01 3lin s VAL 2 Cb 0.00 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.52 3lin s VAL 2 CO 0.00 0.16 0.04 -0.63 0.00 0.00 0.00 175.10 174.68 3lin s ILE 3 N 1.63 3.48 0.63 2.22 1.09 -1.26 -5.09 121.20 123.89 3lin s ILE 3 Ca 0.27 -1.03 -0.17 0.00 -1.10 0.00 0.00 60.65 58.62 3lin s ILE 3 Cb -0.16 -2.88 -0.01 0.00 -1.06 0.00 0.00 42.46 38.35 3lin s ILE 3 CO 0.10 -0.01 1.14 -2.84 -0.10 0.00 0.00 174.94 173.23 3lin s PRO 4 N 1.38 2.88 -0.20 2.79 0.02 -1.26 -5.01 135.00 135.61 3lin s PRO 4 Ca -0.01 1.55 -0.03 0.00 0.02 0.00 0.00 61.00 62.53 3lin s PRO 4 Cb -0.18 -1.95 -0.01 0.00 0.02 0.00 0.00 34.50 32.38 3lin s PRO 4 CO 0.00 -1.22 -0.06 -0.51 -0.33 0.00 0.00 177.00 174.89 3lin s LEU 5 N -4.53 2.88 -0.07 -5.54 1.43 -1.26 -4.87 118.68 106.73 3lin s LEU 5 Ca 0.71 -0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 53.42 3lin s LEU 5 Cb -0.24 -1.72 0.04 0.00 0.03 0.00 0.00 46.19 44.31 3lin s LEU 5 CO 0.37 0.03 0.12 -0.62 0.23 0.00 0.00 176.35 176.48 3lin s ASP 6 N 1.15 0.95 0.40 2.29 -1.08 -1.26 -5.05 116.67 114.07 3lin s ASP 6 Ca 0.02 0.21 0.11 0.00 -0.52 0.00 0.00 52.55 52.37 3lin s ASP 6 Cb -0.14 0.09 0.92 0.00 -1.46 0.00 0.00 42.92 42.33 3lin s ASP 6 CO -0.01 -0.25 1.94 1.55 0.52 0.00 0.00 175.17 178.92 3lin h PRO 7 N 8.40 0.54 0.00 4.34 0.13 -2.03 -2.05 132.00 141.33 3lin h PRO 7 Ca -0.13 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3lin h PRO 7 Cb 1.12 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3lin h PRO 7 CO 0.15 0.36 -0.06 0.00 -0.23 0.00 0.00 178.00 178.21 3lin n ALA 8 N -2.49 2.48 -3.75 -0.56 0.00 -1.26 -4.69 120.51 110.25 3lin n ALA 8 Ca 0.12 -0.13 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 3lin n ALA 8 Cb 0.39 -1.43 -0.17 0.00 0.00 0.00 0.00 19.45 18.25 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 -3.00 0.68 0.15 0.00 3.00 -0.77 -5.11 118.95 113.90 3lin s ARG 9 Ca 0.14 -0.32 -0.31 0.00 0.00 0.00 0.00 55.73 55.23 3lin s ARG 9 Cb 0.19 -1.89 -0.08 0.00 0.00 0.00 0.00 34.95 33.16 3lin s ARG 9 CO 0.55 -0.57 1.36 1.03 0.00 0.00 0.00 175.30 177.68 3lin s ARG 10 N 1.87 4.34 -0.27 3.54 0.52 -1.26 -4.25 118.95 123.44 3lin s ARG 10 Ca 0.00 2.08 -0.29 0.00 -0.52 0.00 0.00 55.73 57.00 3lin s ARG 10 Cb -0.16 -3.22 0.01 0.00 0.52 0.00 0.00 34.95 32.10 3lin s ARG 10 CO -0.07 -0.37 1.15 -1.25 0.02 0.00 0.00 175.30 174.78 3lin s PRO 11 N 0.60 4.09 0.21 3.54 0.04 -1.26 -4.99 135.00 137.24 3lin s PRO 11 Ca 0.62 1.27 0.04 0.00 0.04 0.00 0.00 61.00 62.96 3lin s PRO 11 Cb -0.37 -3.76 -0.05 0.00 0.04 0.00 0.00 34.50 30.36 3lin s PRO 11 CO 0.34 -0.87 -0.04 0.14 0.04 0.00 0.00 177.00 176.60 3lin s VAL 12 N 3.72 1.17 -0.01 -0.36 -7.23 -1.26 -1.29 120.40 115.13 3lin s VAL 12 Ca 0.49 -2.06 -0.07 0.00 -1.81 0.00 0.00 61.98 58.53 3lin s VAL 12 Cb -0.15 -2.20 0.01 0.00 0.56 0.00 0.00 36.38 34.59 3lin s VAL 12 CO 0.15 -0.45 0.15 -0.51 -0.31 0.00 0.00 175.10 174.13 3lin s ILE 13 N -3.33 0.06 0.00 -0.62 2.07 0.17 -4.91 121.20 114.65 3lin s ILE 13 Ca 0.25 -0.51 -0.28 0.00 -1.41 0.00 0.00 60.65 58.70 3lin s ILE 13 Cb 0.04 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.21 3lin s ILE 13 CO 0.07 -0.28 0.90 -0.54 -1.91 0.00 0.00 174.94 173.18 3lin s LYS 14 N -1.01 4.55 -0.04 3.50 -0.14 -1.26 0.35 119.74 125.70 3lin s LYS 14 Ca -0.11 1.28 0.01 0.00 -1.36 0.00 0.00 55.97 55.79 3lin s LYS 14 Cb -0.06 -3.44 0.02 0.00 -1.68 0.00 0.00 37.83 32.67 3lin s LYS 14 CO 0.01 0.03 -0.04 0.00 -0.76 0.00 0.00 175.35 174.59 3lin s ALA 15 N 0.76 0.60 -0.26 5.17 0.00 0.64 -4.15 121.76 124.52 3lin s ALA 15 Ca 0.47 -0.04 -0.23 0.00 0.00 0.00 0.00 51.96 52.17 3lin s ALA 15 Cb -0.21 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 3lin s ALA 15 CO 0.26 0.00 0.74 -1.14 0.00 0.00 0.00 175.76 175.62 3lin s GLN 16 N 0.80 4.12 -0.16 0.00 0.74 -0.34 -0.92 119.66 123.90 3lin s GLN 16 Ca -0.10 0.73 -0.02 0.00 0.05 0.00 0.00 55.36 56.02 3lin s GLN 16 Cb -0.13 -3.66 -0.01 0.00 1.10 0.00 0.00 33.01 30.30 3lin s GLN 16 CO 0.00 -0.50 -0.10 0.08 -0.55 0.00 0.00 175.29 174.22 3lin s VAL 17 N 2.73 3.18 -0.31 1.34 1.01 0.96 -0.22 120.40 129.09 3lin s VAL 17 Ca 0.31 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 3lin s VAL 17 Cb -0.15 -2.38 0.06 0.00 0.00 0.00 0.00 36.38 33.91 3lin s VAL 17 CO 0.09 0.49 0.01 -0.62 0.00 0.00 0.00 175.10 175.06 3lin s ASP 18 N 0.76 4.87 0.00 3.32 2.15 0.51 -1.73 116.67 126.55 3lin s ASP 18 Ca -0.04 -1.39 0.28 0.00 0.43 0.00 0.00 52.55 51.83 3lin s ASP 18 Cb -0.15 -1.70 1.60 0.00 -0.30 0.00 0.00 42.92 42.36 3lin s ASP 18 CO 0.02 -0.28 2.03 0.35 -0.17 0.00 0.00 175.17 177.12 3lin n THR 19 N 4.58 0.01 -1.81 1.71 -2.24 -1.26 -1.43 114.28 113.84 3lin n THR 19 Ca -0.12 -0.03 -0.19 0.00 -2.27 0.00 0.00 64.05 61.45 3lin n THR 19 Cb 0.43 -0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 68.25 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 -0.83 -1.53 0.00 -0.78 6.02 -1.26 -4.78 117.38 114.22 3lin n GLN 20 Ca 0.21 1.07 0.00 0.00 -0.01 0.00 0.00 57.00 58.26 3lin n GLN 20 Cb 0.12 -5.51 0.00 0.00 1.02 0.00 0.00 30.24 25.87 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 -2.74 0.20 -3.51 5.09 -2.24 -1.26 -5.08 114.28 104.74 3lin n THR 21 Ca -0.20 -0.37 -0.10 0.00 -2.27 0.00 0.00 64.05 61.11 3lin n THR 21 Cb 0.64 1.19 -0.02 0.00 -2.10 0.00 0.00 70.33 70.04 3lin n THR 21 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3lin s SER 22 N -0.20 -0.44 0.35 3.42 0.01 -1.26 -3.94 113.70 111.64 3lin s SER 22 Ca 0.00 -0.08 -0.27 0.00 1.31 0.00 0.00 55.95 56.90 3lin s SER 22 Cb 0.00 0.52 -0.12 0.00 0.21 0.00 0.00 66.02 66.63 3lin s SER 22 CO 0.00 -0.87 1.20 1.41 0.41 0.00 0.00 173.24 175.39 3lin n HIS 23 N -0.34 1.95 -1.92 2.43 -0.00 -1.26 -4.61 115.22 111.47 3lin n HIS 23 Ca -0.12 0.57 -0.40 0.00 -0.00 0.00 0.00 57.72 57.77 3lin n HIS 23 Cb 0.63 -2.36 -0.00 0.00 -0.00 0.00 0.00 29.99 28.26 3lin n HIS 23 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 3lin s PRO 24 N -1.88 3.99 0.06 -0.41 0.02 -1.26 -4.87 135.00 130.64 3lin s PRO 24 Ca 0.58 2.37 0.07 0.00 0.02 0.00 0.00 61.00 64.03 3lin s PRO 24 Cb -0.58 -2.84 -0.03 0.00 0.02 0.00 0.00 34.50 31.07 3lin s PRO 24 CO 0.61 -0.55 -0.18 0.15 -0.33 0.00 0.00 177.00 176.69 3lin s LYS 25 N -2.19 1.16 -0.16 5.54 1.02 -0.70 -4.92 119.74 119.49 3lin s LYS 25 Ca 0.55 -0.93 -0.18 0.00 0.02 0.00 0.00 55.97 55.43 3lin s LYS 25 Cb -0.42 -1.27 -0.04 0.00 -0.52 0.00 0.00 37.83 35.58 3lin s LYS 25 CO 0.56 0.31 0.49 0.99 -0.92 0.00 0.00 175.35 176.78 3lin s THR 26 N -0.92 5.15 0.26 2.17 2.01 -1.26 -0.03 115.64 123.02 3lin s THR 26 Ca 0.05 0.93 0.06 0.00 0.31 0.00 0.00 61.69 63.04 3lin s THR 26 Cb -0.09 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 3lin s THR 26 CO 0.02 0.25 -0.05 0.27 -0.69 0.00 0.00 174.62 174.43 3lin s ILE 27 N 1.14 1.45 -0.18 1.82 -4.36 -0.09 -4.90 121.20 116.07 3lin s ILE 27 Ca 0.24 -2.10 -0.19 0.00 -0.26 0.00 0.00 60.65 58.34 3lin s ILE 27 Cb -0.15 -2.37 -0.03 0.00 1.25 0.00 0.00 42.46 41.15 3lin s ILE 27 CO 0.10 -0.34 0.54 -0.70 0.24 0.00 0.00 174.94 174.78 3lin s GLU 28 N -3.76 4.23 0.08 0.37 2.12 -1.26 -0.26 118.70 120.21 3lin s GLU 28 Ca 0.28 0.48 0.10 0.00 0.36 0.00 0.00 54.97 56.18 3lin s GLU 28 Cb 0.04 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 3lin s GLU 28 CO 0.10 -0.11 -0.25 0.00 -0.54 0.00 0.00 175.26 174.46 3lin s ALA 29 N 1.50 2.19 0.13 6.30 0.00 0.16 -4.69 121.76 127.35 3lin s ALA 29 Ca 0.26 -1.31 -0.28 0.00 0.00 0.00 0.00 51.96 50.63 3lin s ALA 29 Cb -0.16 -0.40 -0.07 0.00 0.00 0.00 0.00 23.12 22.50 3lin s ALA 29 CO 0.10 0.50 0.87 -1.17 0.00 0.00 0.00 175.76 176.07 3lin s LEU 30 N -1.60 4.53 -0.25 0.00 2.96 -0.25 -0.65 118.68 123.42 3lin s LEU 30 Ca 0.11 1.71 -0.18 0.00 -0.22 0.00 0.00 54.13 55.55 3lin s LEU 30 Cb -0.10 -3.45 -0.03 0.00 0.50 0.00 0.00 46.19 43.12 3lin s LEU 30 CO 0.04 0.05 0.54 -0.76 -1.32 0.00 0.00 176.35 174.89 3lin s LEU 31 N -0.44 4.06 -0.32 -0.68 1.43 -0.41 -0.11 118.68 122.21 3lin s LEU 31 Ca 0.42 0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 54.07 3lin s LEU 31 Cb -0.23 -2.70 0.12 0.00 0.03 0.00 0.00 46.19 43.40 3lin s LEU 31 CO 0.28 -0.29 0.17 -0.62 0.23 0.00 0.00 176.35 176.11 3lin s ASP 32 N 1.49 3.29 0.25 2.29 -1.08 -0.57 -4.80 116.67 117.55 3lin s ASP 32 Ca 0.22 -1.74 0.23 0.00 -0.52 0.00 0.00 52.55 50.75 3lin s ASP 32 Cb -0.16 -0.40 0.97 0.00 -1.46 0.00 0.00 42.92 41.88 3lin s ASP 32 CO 0.09 -0.38 1.69 0.35 0.52 0.00 0.00 175.17 177.44 3lin n THR 33 N 4.65 0.86 1.33 1.71 -2.24 -1.26 -1.67 114.28 117.67 3lin n THR 33 Ca 0.03 0.28 0.14 0.00 -2.27 0.00 0.00 64.05 62.22 3lin n THR 33 Cb 0.40 -1.21 0.50 0.00 -2.10 0.00 0.00 70.33 67.92 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 -0.13 -0.76 3.64 3.38 0.00 -1.26 -4.80 105.19 105.26 3lin n GLY 34 Ca 0.02 -0.33 -0.38 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 -2.47 3.57 0.30 4.61 0.00 -0.67 -4.96 121.76 122.14 3lin s ALA 35 Ca 0.27 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3lin s ALA 35 Cb 0.20 -2.50 0.47 0.00 0.00 0.00 0.00 23.12 21.29 3lin s ALA 35 CO 0.49 -0.38 1.85 -0.44 0.00 0.00 0.00 175.76 177.29 3lin h ASP 36 N 7.77 0.69 -5.13 0.00 3.32 -1.88 -0.10 116.42 121.09 3lin h ASP 36 Ca -0.36 -0.12 -0.14 0.00 0.02 0.00 0.00 57.03 56.44 3lin h ASP 36 Cb 1.17 -0.18 -0.17 0.00 0.22 0.00 0.00 39.33 40.37 3lin h ASP 36 CO 0.65 0.69 -0.66 0.00 -1.72 0.00 0.00 179.24 178.20 3lin s MET 37 N -5.17 0.51 0.48 3.56 0.23 -1.26 -3.47 119.30 114.19 3lin s MET 37 Ca -0.09 -0.95 -0.22 0.00 -1.03 0.00 0.00 55.69 53.40 3lin s MET 37 Cb 0.16 0.18 -0.07 0.00 -1.53 0.00 0.00 34.83 33.57 3lin s MET 37 CO 0.79 -0.10 1.15 0.99 -2.03 0.00 0.00 175.02 175.82 3lin s THR 38 N -2.94 3.16 -0.12 3.16 2.01 -1.26 -4.41 115.64 115.24 3lin s THR 38 Ca -0.02 0.83 0.03 0.00 0.31 0.00 0.00 61.69 62.84 3lin s THR 38 Cb 0.01 -3.40 0.01 0.00 0.01 0.00 0.00 72.50 69.13 3lin s THR 38 CO -0.06 -0.05 -0.21 -0.69 -0.69 0.00 0.00 174.62 172.91 3lin s VAL 39 N -1.61 1.95 -0.09 3.82 1.01 0.25 -1.19 120.40 124.53 3lin s VAL 39 Ca 0.66 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.72 3lin s VAL 39 Cb -0.27 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 3lin s VAL 39 CO 0.32 0.53 -0.12 -0.63 0.00 0.00 0.00 175.10 175.20 3lin s ILE 40 N 0.71 3.18 0.40 2.22 -1.09 -0.32 -0.59 121.20 125.72 3lin s ILE 40 Ca -0.10 -0.64 -0.27 0.00 -2.23 0.00 0.00 60.65 57.40 3lin s ILE 40 Cb -0.16 -2.30 -0.10 0.00 -1.58 0.00 0.00 42.46 38.32 3lin s ILE 40 CO 0.01 0.56 1.40 -2.84 -1.23 0.00 0.00 174.94 172.84 3lin s PRO 41 N -0.18 4.00 0.64 2.79 0.02 -1.07 -0.89 135.00 140.33 3lin s PRO 41 Ca 0.00 2.38 0.39 0.00 0.02 0.00 0.00 61.00 63.80 3lin s PRO 41 Cb -0.13 -2.85 2.20 0.00 0.02 0.00 0.00 34.50 33.73 3lin s PRO 41 CO 0.03 -0.55 2.32 0.97 -0.33 0.00 0.00 177.00 179.44 3lin h ILE 42 N 2.69 0.18 -0.16 2.83 2.10 -1.56 -2.27 117.51 121.32 3lin h ILE 42 Ca -0.50 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.43 3lin h ILE 42 Cb 1.25 0.98 -0.01 0.00 -1.09 0.00 0.00 36.82 37.95 3lin h ILE 42 CO 0.63 0.00 0.09 0.00 -1.08 0.00 0.00 178.15 177.79 3lin h ALA 43 N 1.97 1.85 0.00 0.18 0.00 -1.90 -2.37 119.26 118.99 3lin h ALA 43 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3lin h ALA 43 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3lin h ALA 43 CO -0.00 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.66 3lin n LEU 44 N -4.49 0.00 -4.63 0.00 4.77 -0.85 -4.75 117.00 107.05 3lin n LEU 44 Ca -0.01 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.65 3lin n LEU 44 Cb 0.09 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 3lin n LEU 44 CO 0.35 0.00 -0.36 -0.36 -1.33 0.00 0.00 177.39 175.69 3lin s PHE 45 N -2.00 2.96 0.65 -1.77 0.08 -0.89 -4.63 117.98 112.37 3lin s PHE 45 Ca 0.34 0.01 -0.16 0.00 0.12 0.00 0.00 56.93 57.24 3lin s PHE 45 Cb 0.16 -1.63 -0.01 0.00 -0.57 0.00 0.00 43.02 40.97 3lin s PHE 45 CO 0.26 0.41 1.14 -1.54 -0.10 0.00 0.00 175.22 175.40 3lin s SER 46 N -1.46 5.03 0.36 1.36 1.04 -1.25 -4.91 113.70 113.86 3lin s SER 46 Ca 0.18 2.15 0.13 0.00 0.48 0.00 0.00 55.95 58.89 3lin s SER 46 Cb -0.11 -2.57 0.97 0.00 0.10 0.00 0.00 66.02 64.41 3lin s SER 46 CO 0.08 -1.69 1.77 0.28 0.98 0.00 0.00 173.24 174.66 3lin h SER 47 N 0.26 0.57 0.30 7.02 0.02 -1.94 -2.95 113.55 116.83 3lin h SER 47 Ca -0.48 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3lin h SER 47 Cb 1.27 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3lin h SER 47 CO 0.54 0.14 -0.64 0.59 -1.14 0.00 0.00 176.83 176.32 3lin n ASN 48 N -4.71 0.76 -4.76 3.07 3.02 -1.26 -5.01 115.26 106.37 3lin n ASN 48 Ca 0.25 -0.59 -0.41 0.00 -0.03 0.00 0.00 54.58 53.79 3lin n ASN 48 Cb 0.76 0.50 -0.01 0.00 -0.61 0.00 0.00 39.78 40.41 3lin n ASN 48 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3lin s THR 49 N -2.94 2.15 0.08 3.41 -4.23 -1.12 -4.93 115.64 108.06 3lin s THR 49 Ca 0.11 0.14 -0.31 0.00 -1.18 0.00 0.00 61.69 60.45 3lin s THR 49 Cb 0.17 -3.09 -0.07 0.00 1.34 0.00 0.00 72.50 70.85 3lin s THR 49 CO 0.74 0.03 1.32 -2.84 -0.54 0.00 0.00 174.62 173.33 3lin s PRO 50 N -1.29 4.36 0.03 3.99 0.02 -1.26 -5.02 135.00 135.82 3lin s PRO 50 Ca 0.57 1.95 0.02 0.00 0.02 0.00 0.00 61.00 63.57 3lin s PRO 50 Cb -0.46 -3.31 -0.02 0.00 0.02 0.00 0.00 34.50 30.73 3lin s PRO 50 CO 0.55 -0.39 -0.08 -0.51 -0.33 0.00 0.00 177.00 176.24 3lin s LEU 51 N 1.21 2.17 -0.04 -5.54 1.43 -1.26 -4.04 118.68 112.60 3lin s LEU 51 Ca 0.62 -0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 53.26 3lin s LEU 51 Cb -0.34 -0.24 -0.04 0.00 0.03 0.00 0.00 46.19 45.60 3lin s LEU 51 CO 0.29 -0.09 0.22 -0.54 0.23 0.00 0.00 176.35 176.46 3lin s LYS 52 N -1.06 3.54 0.61 1.70 1.02 -0.34 -4.84 119.74 120.37 3lin s LYS 52 Ca -0.05 -0.08 -0.18 0.00 0.02 0.00 0.00 55.97 55.67 3lin s LYS 52 Cb -0.07 -3.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.07 3lin s LYS 52 CO 0.00 0.71 1.24 -0.80 -0.92 0.00 0.00 175.35 175.58 3lin s ASN 53 N -1.42 4.98 0.02 2.83 0.01 -1.26 -0.76 114.94 119.34 3lin s ASN 53 Ca 0.22 2.48 -0.28 0.00 -0.71 0.00 0.00 52.86 54.57 3lin s ASN 53 Cb -0.13 -2.61 0.07 0.00 0.41 0.00 0.00 41.25 38.99 3lin s ASN 53 CO 0.12 -1.74 0.65 0.28 -1.51 0.00 0.00 177.10 174.89 3lin s THR 54 N -1.52 0.00 -0.14 1.60 -1.32 -1.26 -4.75 115.64 108.25 3lin s THR 54 Ca 0.79 -0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 61.23 3lin s THR 54 Cb -0.33 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.63 3lin s THR 54 CO 0.35 -0.00 0.02 -0.55 -2.21 0.00 0.00 174.62 172.23 3lin s SER 55 N -1.73 5.31 -0.05 8.08 0.15 -1.26 -4.40 113.70 119.81 3lin s SER 55 Ca -0.07 0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.66 3lin s SER 55 Cb -0.00 -1.78 0.01 0.00 -1.71 0.00 0.00 66.02 62.54 3lin s SER 55 CO 0.02 0.24 -0.09 -0.69 1.20 0.00 0.00 173.24 173.92 3lin s VAL 56 N -0.06 0.87 -0.29 4.45 1.01 0.61 -4.97 120.40 122.02 3lin s VAL 56 Ca 0.04 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 3lin s VAL 56 Cb -0.13 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 3lin s VAL 56 CO 0.02 0.29 0.20 -0.22 0.00 0.00 0.00 175.10 175.39 3lin s LEU 57 N 0.64 4.13 0.00 3.92 2.96 -1.26 0.03 118.68 129.09 3lin s LEU 57 Ca -0.11 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 3lin s LEU 57 Cb -0.14 -2.12 -0.00 0.00 0.50 0.00 0.00 46.19 44.43 3lin s LEU 57 CO 0.02 -0.09 0.01 0.61 -1.32 0.00 0.00 176.35 175.57 3lin n GLY 58 N 5.07 3.83 0.20 7.98 0.00 0.63 -4.99 105.19 117.92 3lin n GLY 58 Ca -0.14 -2.26 -0.00 0.00 0.00 0.00 0.00 46.02 43.62 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 1.17 1.26 0.00 4.61 0.00 -2.04 -2.08 119.26 122.19 3lin h ALA 59 Ca -0.22 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3lin h ALA 59 Cb 0.68 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3lin h ALA 59 CO 0.36 0.51 0.00 0.78 0.00 0.00 0.00 179.25 180.90 3lin h GLY 60 N 1.09 0.00 0.00 0.00 0.00 -2.00 -3.49 103.07 98.67 3lin h GLY 60 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3lin h GLY 60 CO 0.05 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.20 3lin n GLY 61 N 0.52 0.92 3.74 4.60 0.00 -0.78 -5.07 105.19 109.12 3lin n GLY 61 Ca 0.03 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.63 4.18 -0.00 1.61 2.00 -1.26 -0.27 119.66 124.29 3lin s GLN 62 Ca 0.00 0.03 0.04 0.00 -2.00 0.00 0.00 55.36 53.43 3lin s GLN 62 Cb 0.00 -3.40 -0.01 0.00 0.80 0.00 0.00 33.01 30.40 3lin s GLN 62 CO 0.00 0.30 -0.12 -0.08 -0.50 0.00 0.00 175.29 174.89 3lin s THR 63 N 0.29 0.94 -1.91 -0.34 -1.32 0.10 -4.97 115.64 108.44 3lin s THR 63 Ca 0.15 -0.59 0.18 0.00 -1.21 0.00 0.00 61.69 60.22 3lin s THR 63 Cb -0.13 -0.80 0.06 0.00 -1.51 0.00 0.00 72.50 70.12 3lin s THR 63 CO 0.03 0.21 0.98 0.00 -2.21 0.00 0.00 174.62 173.63 3lin n GLN 64 N 2.63 1.57 0.00 7.08 1.13 -1.26 -0.28 117.38 128.25 3lin n GLN 64 Ca -0.15 -1.19 0.00 0.00 -1.94 0.00 0.00 57.00 53.72 3lin n GLN 64 Cb 0.56 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 29.58 3lin n GLN 64 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3lin n ASP 65 N 0.42 3.49 -0.21 1.08 10.43 -1.26 -4.46 116.55 126.04 3lin n ASP 65 Ca 0.09 0.00 -0.01 0.00 2.57 0.00 0.00 54.79 57.44 3lin n ASP 65 Cb 0.41 0.00 0.21 0.00 1.84 0.00 0.00 41.12 43.57 3lin n ASP 65 CO 0.00 0.00 0.00 0.45 -1.07 0.00 0.00 177.20 176.58 3lin h HIS 66 N 0.00 0.97 -3.56 1.24 3.86 -1.90 -3.45 115.15 112.31 3lin h HIS 66 Ca 0.00 -0.02 -0.67 0.00 -1.16 0.00 0.00 60.37 58.53 3lin h HIS 66 Cb 0.96 -0.31 -0.16 0.00 1.06 0.00 0.00 27.41 28.95 3lin h HIS 66 CO 0.00 0.67 -0.73 -0.06 0.86 0.00 0.00 177.93 178.67 3lin s PHE 67 N -5.67 2.76 0.49 2.45 0.08 -1.26 -1.37 117.98 115.46 3lin s PHE 67 Ca -0.11 -0.14 0.02 0.00 0.12 0.00 0.00 56.93 56.82 3lin s PHE 67 Cb 0.17 -1.45 -0.03 0.00 -0.57 0.00 0.00 43.02 41.14 3lin s PHE 67 CO 0.79 0.42 0.01 0.15 -0.10 0.00 0.00 175.22 176.50 3lin s LYS 68 N -2.13 2.15 -0.02 0.44 -0.14 -0.22 -4.05 119.74 115.77 3lin s LYS 68 Ca 0.21 -2.33 0.08 0.00 -1.36 0.00 0.00 55.97 52.57 3lin s LYS 68 Cb -0.11 -1.57 -0.02 0.00 -1.68 0.00 0.00 37.83 34.45 3lin s LYS 68 CO 0.13 -0.30 -0.26 -1.17 -0.76 0.00 0.00 175.35 173.00 3lin s LEU 69 N -3.85 2.07 0.88 3.17 2.96 0.06 -1.19 118.68 122.78 3lin s LEU 69 Ca 0.13 -0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 53.46 3lin s LEU 69 Cb 0.03 -1.34 0.12 0.00 0.50 0.00 0.00 46.19 45.50 3lin s LEU 69 CO 0.07 0.32 1.11 0.42 -1.32 0.00 0.00 176.35 176.95 3lin s THR 70 N -0.62 2.54 -0.19 3.68 -4.23 -0.70 -1.20 115.64 114.92 3lin s THR 70 Ca 0.10 0.18 0.13 0.00 -1.18 0.00 0.00 61.69 60.92 3lin s THR 70 Cb -0.10 -2.40 -0.21 0.00 1.34 0.00 0.00 72.50 71.13 3lin s THR 70 CO -0.01 -0.23 0.00 -1.20 -0.54 0.00 0.00 174.62 172.64 3lin n SER 71 N -4.01 0.84 -4.72 3.99 7.64 -1.26 -4.68 113.62 111.42 3lin n SER 71 Ca 0.10 -0.03 -0.27 0.00 1.01 0.00 0.00 58.87 59.68 3lin n SER 71 Cb 0.53 0.66 -0.07 0.00 -1.01 0.00 0.00 64.21 64.32 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 -5.59 3.52 0.80 -3.43 1.43 -1.26 -5.06 118.68 109.09 3lin s LEU 72 Ca -0.14 -0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 52.54 3lin s LEU 72 Cb 0.06 -2.16 0.06 0.00 0.03 0.00 0.00 46.19 44.18 3lin s LEU 72 CO 0.71 0.09 1.08 -2.65 0.23 0.00 0.00 176.35 175.80 3lin n PRO 73 N -0.17 0.23 -4.51 1.29 -0.02 -1.24 -4.77 135.00 125.81 3lin n PRO 73 Ca -0.09 0.15 -0.33 0.00 -2.02 0.00 0.00 63.50 61.20 3lin n PRO 73 Cb 0.55 -2.33 -0.13 0.00 -0.02 0.00 0.00 33.50 31.56 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 -2.06 3.54 -0.14 -1.45 1.01 -0.49 -4.56 120.40 116.25 3lin s VAL 74 Ca 0.72 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 62.12 3lin s VAL 74 Cb -0.30 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 3lin s VAL 74 CO 0.52 0.50 0.18 -0.76 0.00 0.00 0.00 175.10 175.54 3lin s LEU 75 N 0.43 4.31 -0.09 3.92 1.43 -0.52 -0.99 118.68 127.17 3lin s LEU 75 Ca -0.06 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 3lin s LEU 75 Cb -0.15 -2.16 0.02 0.00 0.03 0.00 0.00 46.19 43.93 3lin s LEU 75 CO 0.04 0.28 -0.12 -0.63 0.23 0.00 0.00 176.35 176.15 3lin s ILE 76 N -0.34 1.22 -0.17 -0.59 1.01 -0.14 -0.36 121.20 121.83 3lin s ILE 76 Ca 0.13 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 3lin s ILE 76 Cb -0.12 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.19 3lin s ILE 76 CO 0.03 0.38 -0.08 -0.13 0.00 0.00 0.00 174.94 175.14 3lin s ARG 77 N 0.97 3.43 0.44 2.79 0.52 0.70 -0.31 118.95 127.48 3lin s ARG 77 Ca -0.08 -0.63 -0.04 0.00 -0.52 0.00 0.00 55.73 54.45 3lin s ARG 77 Cb -0.15 -2.83 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 3lin s ARG 77 CO -0.00 0.05 0.72 -0.51 0.02 0.00 0.00 175.30 175.58 3lin s LEU 78 N 0.80 3.75 0.28 2.53 1.02 -1.26 -1.20 118.68 124.61 3lin s LEU 78 Ca -0.03 0.83 -0.02 0.00 0.02 0.00 0.00 54.13 54.93 3lin s LEU 78 Cb -0.15 -3.75 0.40 0.00 0.02 0.00 0.00 46.19 42.72 3lin s LEU 78 CO 0.01 -0.48 1.86 1.55 0.02 0.00 0.00 176.35 179.31 3lin h PRO 79 N 0.50 0.91 0.06 1.29 0.13 -2.00 -3.30 132.00 129.58 3lin h PRO 79 Ca -0.48 -0.15 -0.28 0.00 -0.87 0.00 0.00 66.00 64.23 3lin h PRO 79 Cb 1.21 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 3lin h PRO 79 CO 0.62 0.75 -1.46 0.27 -0.23 0.00 0.00 178.00 177.94 3lin h PHE 80 N 0.89 0.22 -3.95 1.56 -0.00 -1.95 -3.47 116.94 110.25 3lin h PHE 80 Ca 0.21 -0.16 -0.69 0.00 -0.00 0.00 0.00 57.97 57.33 3lin h PHE 80 Cb 0.19 -0.01 -0.24 0.00 -0.00 0.00 0.00 35.95 35.89 3lin h PHE 80 CO 0.01 1.20 -0.77 -0.98 -0.00 0.00 0.00 178.31 177.77 3lin s ARG 81 N -2.63 2.61 0.29 6.09 1.70 -1.24 -5.04 118.95 120.73 3lin s ARG 81 Ca -0.06 -0.70 0.18 0.00 -0.47 0.00 0.00 55.73 54.69 3lin s ARG 81 Cb 0.08 -2.41 0.12 0.00 -0.57 0.00 0.00 34.95 32.17 3lin s ARG 81 CO 0.83 0.57 1.38 1.79 -1.08 0.00 0.00 175.30 178.79 3lin h THR 82 N 4.49 0.46 -3.57 4.99 1.35 -1.90 -3.36 112.91 115.36 3lin h THR 82 Ca -0.44 -1.68 -0.51 0.00 -0.55 0.00 0.00 66.41 63.23 3lin h THR 82 Cb 1.16 2.14 -0.00 0.00 -1.73 0.00 0.00 68.15 69.72 3lin h THR 82 CO 0.51 0.26 0.43 -0.89 -0.25 0.00 0.00 175.52 175.58 3lin s THR 83 N -3.08 4.09 0.32 6.82 2.01 -1.26 -5.02 115.64 119.52 3lin s THR 83 Ca 0.04 1.78 -0.26 0.00 0.31 0.00 0.00 61.69 63.56 3lin s THR 83 Cb 0.07 -4.14 -0.10 0.00 0.01 0.00 0.00 72.50 68.35 3lin s THR 83 CO 0.74 0.30 0.98 -2.16 -0.69 0.00 0.00 174.62 173.78 3lin s PRO 84 N -0.26 4.54 0.13 4.92 0.04 -1.26 -4.73 135.00 138.38 3lin s PRO 84 Ca 0.48 1.43 -0.31 0.00 0.04 0.00 0.00 61.00 62.64 3lin s PRO 84 Cb -0.27 -2.85 -0.08 0.00 0.04 0.00 0.00 34.50 31.35 3lin s PRO 84 CO 0.33 0.22 1.31 0.42 0.04 0.00 0.00 177.00 179.32 3lin s ILE 85 N -1.53 3.47 -0.24 0.56 1.01 0.58 -4.87 121.20 120.18 3lin s ILE 85 Ca 0.50 1.10 -0.01 0.00 0.00 0.00 0.00 60.65 62.24 3lin s ILE 85 Cb -0.21 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.57 3lin s ILE 85 CO 0.27 0.11 -0.08 -0.69 0.00 0.00 0.00 174.94 174.56 3lin s VAL 86 N 0.75 2.80 -0.32 2.92 1.01 -1.26 -0.96 120.40 125.34 3lin s VAL 86 Ca 0.60 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 3lin s VAL 86 Cb -0.35 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 3lin s VAL 86 CO 0.32 0.24 0.21 -0.76 0.00 0.00 0.00 175.10 175.12 3lin s LEU 87 N 1.32 4.34 0.44 3.92 1.43 -0.16 -4.96 118.68 125.00 3lin s LEU 87 Ca 0.01 -0.37 0.16 0.00 -1.03 0.00 0.00 54.13 52.89 3lin s LEU 87 Cb -0.16 -2.10 1.07 0.00 0.03 0.00 0.00 46.19 45.03 3lin s LEU 87 CO -0.05 -0.19 1.93 0.74 0.23 0.00 0.00 176.35 179.01 3lin h THR 88 N 5.51 0.81 -2.62 5.49 2.02 -1.94 -1.29 112.91 120.88 3lin h THR 88 Ca -0.32 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3lin h THR 88 Cb 1.16 0.39 -0.14 0.00 -1.74 0.00 0.00 68.15 67.81 3lin h THR 88 CO 0.62 0.07 0.27 -0.94 0.37 0.00 0.00 175.52 175.91 3lin s SER 89 N -6.01 -0.54 0.32 4.18 1.04 -1.26 -3.71 113.70 107.72 3lin s SER 89 Ca -0.08 0.15 -0.12 0.00 0.48 0.00 0.00 55.95 56.38 3lin s SER 89 Cb 0.21 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.91 3lin s SER 89 CO 0.76 -0.81 0.64 0.00 0.98 0.00 0.00 173.24 174.81 3lin s LEU 91 N 0.00 3.89 -0.13 0.00 1.43 -0.33 -1.72 118.68 121.82 3lin s LEU 91 Ca 0.13 1.04 0.01 0.00 -1.03 0.00 0.00 54.13 54.28 3lin s LEU 91 Cb -0.04 -3.90 0.02 0.00 0.03 0.00 0.00 46.19 42.29 3lin s LEU 91 CO 0.10 -0.34 -0.14 -0.69 0.23 0.00 0.00 176.35 175.50 3lin s VAL 92 N -2.29 1.49 -0.58 -1.59 1.01 -0.33 -1.17 120.40 116.94 3lin s VAL 92 Ca 0.50 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 61.62 3lin s VAL 92 Cb -0.10 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.93 3lin s VAL 92 CO 0.30 0.44 1.00 -0.62 0.00 0.00 0.00 175.10 176.23 3lin s ASP 93 N 1.25 6.33 0.00 3.32 2.15 -0.06 -1.06 116.67 128.59 3lin s ASP 93 Ca -0.01 -0.36 0.29 0.00 0.43 0.00 0.00 52.55 52.90 3lin s ASP 93 Cb -0.14 -2.46 1.24 0.00 -0.30 0.00 0.00 42.92 41.26 3lin s ASP 93 CO -0.06 -1.32 1.92 0.35 -0.17 0.00 0.00 175.17 175.89 3lin n THR 94 N 6.24 0.00 0.01 1.71 -2.24 -0.47 -1.38 114.28 118.15 3lin n THR 94 Ca 0.02 -0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.79 3lin n THR 94 Cb 0.48 -0.46 -0.00 0.00 -2.10 0.00 0.00 70.33 68.25 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 -1.46 0.03 -0.82 -0.78 3.00 -1.25 -4.91 118.16 111.97 3lin n LYS 95 Ca 0.08 0.01 0.07 0.00 -0.00 0.00 0.00 58.31 58.47 3lin n LYS 95 Cb 0.33 -0.29 0.37 0.00 0.00 0.00 0.00 35.03 35.43 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 -2.92 5.34 -1.98 3.14 3.02 -1.26 -4.97 115.26 115.62 3lin n ASN 96 Ca -0.01 -2.98 -0.16 0.00 -0.03 0.00 0.00 54.58 51.41 3lin n ASN 96 Cb 0.03 -0.66 -0.04 0.00 -0.61 0.00 0.00 39.78 38.50 3lin n ASN 96 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3lin n ASN 97 N 0.35 -4.48 -4.76 6.41 5.15 -1.26 -4.95 115.26 111.72 3lin n ASN 97 Ca 0.27 0.24 -0.40 0.00 -0.60 0.00 0.00 54.58 54.09 3lin n ASN 97 Cb 1.15 -3.90 -0.04 0.00 -0.53 0.00 0.00 39.78 36.46 3lin n ASN 97 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 3lin s TRP 98 N -2.59 3.49 -0.20 1.20 0.51 -1.26 -4.78 118.94 115.31 3lin s TRP 98 Ca 0.00 1.64 0.00 0.00 -2.12 0.00 0.00 56.10 55.62 3lin s TRP 98 Cb 0.00 -3.35 0.05 0.00 -0.81 0.00 0.00 33.47 29.36 3lin s TRP 98 CO 0.00 -0.79 -0.06 0.00 -0.51 0.00 0.00 176.95 175.59 3lin s ALA 99 N -1.11 1.77 -0.09 0.98 0.00 -1.26 -2.59 121.76 119.47 3lin s ALA 99 Ca 0.46 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 3lin s ALA 99 Cb -0.33 -1.29 0.03 0.00 0.00 0.00 0.00 23.12 21.53 3lin s ALA 99 CO 0.43 -0.98 -0.04 0.42 0.00 0.00 0.00 175.76 175.59 3lin s ILE 100 N 1.49 0.67 -0.42 0.00 1.01 0.25 -1.09 121.20 123.11 3lin s ILE 100 Ca -0.02 -0.08 -0.23 0.00 0.00 0.00 0.00 60.65 60.32 3lin s ILE 100 Cb -0.17 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 41.56 3lin s ILE 100 CO -0.07 0.30 0.77 -0.63 0.00 0.00 0.00 174.94 175.31 3lin s ILE 101 N 1.75 4.69 0.02 2.92 -1.09 0.84 -0.58 121.20 129.75 3lin s ILE 101 Ca 0.03 0.54 0.00 0.00 -2.23 0.00 0.00 60.65 58.99 3lin s ILE 101 Cb -0.13 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 3lin s ILE 101 CO -0.06 -0.62 0.03 0.61 -1.23 0.00 0.00 174.94 173.67 3lin n GLY 102 N 4.86 1.54 0.24 6.18 0.00 -1.26 -1.51 105.19 115.24 3lin n GLY 102 Ca 0.02 -2.07 0.12 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.33 1.61 3.08 -1.15 -1.43 114.38 116.16 3lin h ARG 103 Ca -0.01 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.09 3lin h ARG 103 Cb 0.04 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 3lin h ARG 103 CO 0.01 0.17 0.04 0.38 -1.07 0.00 0.00 179.97 179.51 3lin h ASP 104 N 0.00 -0.05 0.00 7.04 2.03 -1.80 0.28 116.42 123.93 3lin h ASP 104 Ca -0.00 0.06 -0.24 0.00 -0.73 0.00 0.00 57.03 56.12 3lin h ASP 104 Cb 0.58 0.10 0.01 0.00 -0.83 0.00 0.00 39.33 39.20 3lin h ASP 104 CO 0.02 0.01 -0.92 0.00 -1.03 0.00 0.00 179.24 177.32 3lin h ALA 105 N 1.26 0.24 -0.68 4.15 0.00 -1.81 -3.21 119.26 119.21 3lin h ALA 105 Ca 0.16 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 3lin h ALA 105 Cb 0.19 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3lin h ALA 105 CO -0.23 0.70 0.15 -0.07 0.00 0.00 0.00 179.25 179.80 3lin h LEU 106 N 0.42 1.05 -0.60 0.00 4.07 -1.10 -1.06 115.31 118.09 3lin h LEU 106 Ca -0.09 -0.23 0.12 0.00 0.08 0.00 0.00 57.88 57.76 3lin h LEU 106 Cb 1.56 -0.28 -0.09 0.00 1.08 0.00 0.00 40.66 42.94 3lin h LEU 106 CO 0.18 1.02 0.08 -0.61 -1.08 0.00 0.00 178.44 178.03 3lin h GLN 107 N 1.04 0.20 0.00 1.13 4.15 -1.03 0.77 115.11 121.38 3lin h GLN 107 Ca 0.21 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.55 3lin h GLN 107 Cb 0.39 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 3lin h GLN 107 CO 0.01 0.13 -0.33 1.96 -1.93 0.00 0.00 178.83 178.67 3lin h GLN 108 N 0.21 0.00 -0.64 1.69 4.20 -1.22 -1.77 115.11 117.58 3lin h GLN 108 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 3lin h GLN 108 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3lin h GLN 108 CO -0.44 0.33 0.00 0.00 -0.67 0.00 0.00 178.83 178.05 3lin n GLN 110 N 0.81 -2.59 -1.67 0.00 6.02 -0.67 -4.96 117.38 114.31 3lin n GLN 110 Ca 0.22 0.77 -0.41 0.00 -0.01 0.00 0.00 57.00 57.56 3lin n GLN 110 Cb 0.82 -5.44 0.01 0.00 1.02 0.00 0.00 30.24 26.65 3lin n GLN 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3lin n GLY 111 N -1.02 0.33 3.15 1.08 0.00 0.21 -5.01 105.19 103.92 3lin n GLY 111 Ca -0.16 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3lin n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lin s VAL 112 N -1.22 0.69 0.00 1.61 -7.23 -1.26 -4.73 120.40 108.26 3lin s VAL 112 Ca 0.62 -1.73 -0.15 0.00 -1.81 0.00 0.00 61.98 58.91 3lin s VAL 112 Cb -0.52 -1.43 -0.06 0.00 0.56 0.00 0.00 36.38 34.93 3lin s VAL 112 CO 0.57 -0.74 0.43 -0.76 -0.31 0.00 0.00 175.10 174.30 3lin s LEU 113 N -2.68 4.47 -0.20 1.32 1.43 -1.26 -5.09 118.68 116.68 3lin s LEU 113 Ca 0.07 0.99 0.01 0.00 -1.03 0.00 0.00 54.13 54.17 3lin s LEU 113 Cb 0.01 -2.63 0.04 0.00 0.03 0.00 0.00 46.19 43.64 3lin s LEU 113 CO -0.03 0.30 -0.12 -0.47 0.23 0.00 0.00 176.35 176.26 3lin s TYR 114 N -0.99 2.58 -0.44 0.29 5.04 -1.26 -5.08 117.35 117.49 3lin s TYR 114 Ca 0.24 -1.69 -0.08 0.00 -2.44 0.00 0.00 57.07 53.10 3lin s TYR 114 Cb -0.17 -1.72 0.10 0.00 0.35 0.00 0.00 41.96 40.53 3lin s TYR 114 CO 0.14 -0.77 0.28 -0.51 -1.34 0.00 0.00 175.55 173.35 3lin s LEU 115 N 1.34 5.40 0.00 6.97 1.43 -1.26 -5.16 118.68 127.40 3lin s LEU 115 Ca -0.01 -1.81 0.04 0.00 -1.03 0.00 0.00 54.13 51.32 3lin s LEU 115 Cb -0.16 -1.96 0.21 0.00 0.03 0.00 0.00 46.19 44.31 3lin s LEU 115 CO -0.08 -0.61 0.69 -0.81 0.23 0.00 0.00 176.35 175.77