#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 5.24 -0.28 0.52 1.01 -1.26 -5.08 120.40 120.55 3lin s VAL 2 Ca 0.00 0.67 -0.04 0.00 0.00 0.00 0.00 61.98 62.61 3lin s VAL 2 Cb 0.00 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.70 3lin s VAL 2 CO 0.00 0.31 0.02 -0.63 0.00 0.00 0.00 175.10 174.80 3lin s ILE 3 N 0.95 3.44 0.72 2.22 1.09 -1.26 -5.10 121.20 123.26 3lin s ILE 3 Ca 0.19 -0.95 -0.14 0.00 -1.10 0.00 0.00 60.65 58.65 3lin s ILE 3 Cb -0.14 -2.81 0.03 0.00 -1.06 0.00 0.00 42.46 38.48 3lin s ILE 3 CO 0.07 0.07 1.14 -2.84 -0.10 0.00 0.00 174.94 173.27 3lin s PRO 4 N 1.40 2.39 -0.13 2.79 0.02 -1.26 -5.02 135.00 135.18 3lin s PRO 4 Ca 0.00 1.48 0.01 0.00 0.02 0.00 0.00 61.00 62.51 3lin s PRO 4 Cb -0.18 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.45 3lin s PRO 4 CO -0.00 -1.59 -0.16 -0.51 -0.33 0.00 0.00 177.00 174.42 3lin s LEU 5 N -5.23 2.53 -0.11 -5.54 1.43 -1.26 -4.89 118.68 105.61 3lin s LEU 5 Ca 0.68 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 53.32 3lin s LEU 5 Cb -0.23 -1.56 0.05 0.00 0.03 0.00 0.00 46.19 44.48 3lin s LEU 5 CO 0.46 0.13 0.23 -0.62 0.23 0.00 0.00 176.35 176.78 3lin s ASP 6 N 0.52 0.15 0.42 2.29 -1.08 -1.26 -5.05 116.67 112.66 3lin s ASP 6 Ca -0.10 0.50 0.10 0.00 -0.52 0.00 0.00 52.55 52.53 3lin s ASP 6 Cb -0.16 0.48 0.94 0.00 -1.46 0.00 0.00 42.92 42.72 3lin s ASP 6 CO 0.04 -0.21 2.03 1.55 0.52 0.00 0.00 175.17 179.10 3lin h PRO 7 N 7.81 0.47 0.00 4.34 0.13 -2.03 -2.73 132.00 139.99 3lin h PRO 7 Ca -0.26 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3lin h PRO 7 Cb 1.13 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3lin h PRO 7 CO 0.25 0.31 -0.15 0.00 -0.23 0.00 0.00 178.00 178.18 3lin n ALA 8 N -2.49 2.43 -3.86 -0.56 0.00 -1.26 -4.71 120.51 110.06 3lin n ALA 8 Ca 0.06 -0.08 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 3lin n ALA 8 Cb 0.20 -1.40 -0.16 0.00 0.00 0.00 0.00 19.45 18.09 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 -3.12 1.25 0.26 0.00 0.52 -1.03 -5.12 118.95 111.72 3lin s ARG 9 Ca 0.09 -0.64 -0.30 0.00 -0.52 0.00 0.00 55.73 54.37 3lin s ARG 9 Cb 0.12 -2.21 -0.10 0.00 0.52 0.00 0.00 34.95 33.28 3lin s ARG 9 CO 0.63 -0.55 1.36 1.03 0.02 0.00 0.00 175.30 177.80 3lin s ARG 10 N 1.62 4.33 -0.40 3.54 0.52 -1.26 -4.33 118.95 122.97 3lin s ARG 10 Ca -0.02 2.21 -0.29 0.00 -0.52 0.00 0.00 55.73 57.11 3lin s ARG 10 Cb -0.17 -3.12 0.02 0.00 0.52 0.00 0.00 34.95 32.20 3lin s ARG 10 CO -0.07 -0.30 1.16 -1.25 0.02 0.00 0.00 175.30 174.85 3lin s PRO 11 N -0.72 3.86 0.15 3.54 0.04 -1.26 -4.98 135.00 135.62 3lin s PRO 11 Ca 0.55 0.86 0.06 0.00 0.04 0.00 0.00 61.00 62.51 3lin s PRO 11 Cb -0.40 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 3lin s PRO 11 CO 0.45 -1.20 -0.13 0.14 0.04 0.00 0.00 177.00 176.30 3lin s VAL 12 N 4.24 1.42 0.01 -0.36 -7.23 -1.26 -0.03 120.40 117.19 3lin s VAL 12 Ca 0.49 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.68 3lin s VAL 12 Cb -0.11 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 35.04 3lin s VAL 12 CO 0.25 -0.56 0.01 -0.51 -0.31 0.00 0.00 175.10 173.98 3lin s ILE 13 N -2.71 0.07 -0.11 -0.62 2.07 -0.35 -4.90 121.20 114.65 3lin s ILE 13 Ca 0.15 -0.62 -0.25 0.00 -1.41 0.00 0.00 60.65 58.53 3lin s ILE 13 Cb -0.02 -0.22 -0.03 0.00 0.13 0.00 0.00 42.46 42.33 3lin s ILE 13 CO 0.04 -0.34 0.79 -0.54 -1.91 0.00 0.00 174.94 172.97 3lin s LYS 14 N -1.02 4.37 -0.01 3.50 -0.14 -1.26 0.09 119.74 125.27 3lin s LYS 14 Ca -0.11 0.98 0.02 0.00 -1.36 0.00 0.00 55.97 55.51 3lin s LYS 14 Cb -0.07 -3.51 -0.00 0.00 -1.68 0.00 0.00 37.83 32.56 3lin s LYS 14 CO -0.00 -0.14 -0.08 0.00 -0.76 0.00 0.00 175.35 174.37 3lin s ALA 15 N 1.49 0.65 -0.25 5.17 0.00 0.21 -4.13 121.76 124.90 3lin s ALA 15 Ca 0.39 -0.31 -0.16 0.00 0.00 0.00 0.00 51.96 51.88 3lin s ALA 15 Cb -0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 3lin s ALA 15 CO 0.16 0.15 0.42 -1.14 0.00 0.00 0.00 175.76 175.35 3lin s GLN 16 N -0.10 4.07 -0.20 0.00 0.74 -0.47 -0.06 119.66 123.64 3lin s GLN 16 Ca 0.02 0.16 -0.04 0.00 0.05 0.00 0.00 55.36 55.55 3lin s GLN 16 Cb -0.04 -3.63 -0.02 0.00 1.10 0.00 0.00 33.01 30.42 3lin s GLN 16 CO -0.00 -0.25 -0.02 0.08 -0.55 0.00 0.00 175.29 174.55 3lin s VAL 17 N 1.97 3.75 -0.39 1.34 1.01 0.15 -0.86 120.40 127.37 3lin s VAL 17 Ca 0.18 -0.38 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 3lin s VAL 17 Cb -0.15 -2.69 0.08 0.00 0.00 0.00 0.00 36.38 33.62 3lin s VAL 17 CO 0.09 0.43 0.18 -0.62 0.00 0.00 0.00 175.10 175.18 3lin s ASP 18 N 1.12 5.33 0.00 3.32 2.15 0.16 -1.81 116.67 126.94 3lin s ASP 18 Ca 0.02 -1.66 0.24 0.00 0.43 0.00 0.00 52.55 51.57 3lin s ASP 18 Cb -0.14 -1.87 1.01 0.00 -0.30 0.00 0.00 42.92 41.62 3lin s ASP 18 CO 0.01 -0.48 1.76 0.35 -0.17 0.00 0.00 175.17 176.63 3lin n THR 19 N 4.73 0.37 -1.31 1.71 -2.24 -1.26 -1.26 114.28 115.02 3lin n THR 19 Ca -0.08 0.09 -0.11 0.00 -2.27 0.00 0.00 64.05 61.68 3lin n THR 19 Cb 0.42 -0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 67.92 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 -1.51 -1.46 0.00 -0.78 6.02 -1.26 -4.78 117.38 113.60 3lin n GLN 20 Ca 0.06 0.85 0.03 0.00 -0.01 0.00 0.00 57.00 57.93 3lin n GLN 20 Cb 0.28 -5.14 -0.00 0.00 1.02 0.00 0.00 30.24 26.40 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 -2.33 0.00 -3.69 5.09 -2.24 -1.26 -5.06 114.28 104.79 3lin n THR 21 Ca -0.11 -0.43 -0.03 0.00 -2.27 0.00 0.00 64.05 61.21 3lin n THR 21 Cb 0.53 1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 69.82 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 -1.08 -0.17 0.01 3.42 1.04 -1.26 -4.14 113.70 111.52 3lin s SER 22 Ca 0.05 -0.28 -0.34 0.00 0.48 0.00 0.00 55.95 55.86 3lin s SER 22 Cb 0.05 0.40 -0.17 0.00 0.10 0.00 0.00 66.02 66.40 3lin s SER 22 CO 0.17 -0.72 0.89 1.57 0.98 0.00 0.00 173.24 176.13 3lin n HIS 23 N -0.43 0.50 -1.95 5.02 -0.00 -1.26 -4.50 115.22 112.59 3lin n HIS 23 Ca -0.07 0.90 -0.39 0.00 -0.00 0.00 0.00 57.72 58.16 3lin n HIS 23 Cb 0.61 -1.78 0.01 0.00 -0.00 0.00 0.00 29.99 28.83 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 -0.04 3.82 0.06 1.57 0.02 -1.26 -4.88 135.00 134.28 3lin s PRO 24 Ca 0.77 2.25 0.08 0.00 0.02 0.00 0.00 61.00 64.11 3lin s PRO 24 Cb -1.07 -2.68 -0.03 0.00 0.02 0.00 0.00 34.50 30.74 3lin s PRO 24 CO 0.49 -0.65 -0.22 0.15 -0.33 0.00 0.00 177.00 176.44 3lin s LYS 25 N -2.37 1.41 -0.12 5.54 1.02 -0.75 -4.92 119.74 119.54 3lin s LYS 25 Ca 0.59 -1.01 -0.21 0.00 0.02 0.00 0.00 55.97 55.36 3lin s LYS 25 Cb -0.40 -1.57 -0.03 0.00 -0.52 0.00 0.00 37.83 35.31 3lin s LYS 25 CO 0.51 0.40 0.61 0.99 -0.92 0.00 0.00 175.35 176.94 3lin s THR 26 N -0.86 5.08 0.16 2.17 2.01 -1.26 0.32 115.64 123.26 3lin s THR 26 Ca 0.08 1.22 0.05 0.00 0.31 0.00 0.00 61.69 63.35 3lin s THR 26 Cb -0.09 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 3lin s THR 26 CO 0.02 0.23 -0.09 0.27 -0.69 0.00 0.00 174.62 174.36 3lin s ILE 27 N 1.10 1.20 -0.07 1.82 -4.36 0.91 -4.91 121.20 116.88 3lin s ILE 27 Ca 0.31 -2.07 -0.20 0.00 -0.26 0.00 0.00 60.65 58.43 3lin s ILE 27 Cb -0.16 -1.94 -0.04 0.00 1.25 0.00 0.00 42.46 41.56 3lin s ILE 27 CO 0.13 -0.67 0.56 -0.70 0.24 0.00 0.00 174.94 174.50 3lin s GLU 28 N -3.76 4.34 0.02 0.37 2.12 -1.26 -0.62 118.70 119.91 3lin s GLU 28 Ca 0.19 0.63 0.05 0.00 0.36 0.00 0.00 54.97 56.20 3lin s GLU 28 Cb 0.03 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 31.00 3lin s GLU 28 CO 0.02 0.22 -0.14 0.00 -0.54 0.00 0.00 175.26 174.82 3lin s ALA 29 N 0.36 1.17 -0.03 6.30 0.00 0.11 -4.65 121.76 125.02 3lin s ALA 29 Ca 0.30 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 51.21 3lin s ALA 29 Cb -0.17 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 3lin s ALA 29 CO 0.14 0.24 1.22 -1.17 0.00 0.00 0.00 175.76 176.19 3lin s LEU 30 N -0.87 4.30 -0.47 0.00 2.96 -0.33 -1.21 118.68 123.06 3lin s LEU 30 Ca 0.03 1.87 -0.29 0.00 -0.22 0.00 0.00 54.13 55.52 3lin s LEU 30 Cb -0.07 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 43.08 3lin s LEU 30 CO 0.01 -0.58 1.20 -0.76 -1.32 0.00 0.00 176.35 174.90 3lin s LEU 31 N 2.06 3.61 -0.42 -0.68 1.43 0.95 -0.33 118.68 125.31 3lin s LEU 31 Ca 0.57 0.51 0.02 0.00 -1.03 0.00 0.00 54.13 54.20 3lin s LEU 31 Cb -0.26 -3.53 0.13 0.00 0.03 0.00 0.00 46.19 42.56 3lin s LEU 31 CO 0.23 -1.31 0.22 -0.62 0.23 0.00 0.00 176.35 175.10 3lin s ASP 32 N 2.79 3.66 0.65 2.29 2.15 -0.55 -4.78 116.67 122.87 3lin s ASP 32 Ca 0.50 -2.47 0.42 0.00 0.43 0.00 0.00 52.55 51.43 3lin s ASP 32 Cb -0.08 -0.97 2.26 0.00 -0.30 0.00 0.00 42.92 43.82 3lin s ASP 32 CO 0.32 -0.29 2.32 0.71 -0.17 0.00 0.00 175.17 178.06 3lin h THR 33 N 5.39 0.08 -0.01 1.71 1.35 -1.93 -1.71 112.91 117.79 3lin h THR 33 Ca -0.02 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 3lin h THR 33 Cb 0.94 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 3lin h THR 33 CO 0.46 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 3lin n GLY 34 N -1.00 -0.62 3.51 5.82 0.00 -1.26 -4.77 105.19 106.86 3lin n GLY 34 Ca -0.03 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.99 3.28 0.33 4.61 0.00 -0.64 -4.97 121.76 122.37 3lin s ALA 35 Ca 0.43 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.33 3lin s ALA 35 Cb 0.21 -2.13 0.54 0.00 0.00 0.00 0.00 23.12 21.74 3lin s ALA 35 CO 0.35 -0.39 1.99 -0.44 0.00 0.00 0.00 175.76 177.26 3lin h ASP 36 N 8.01 0.83 -4.90 0.00 3.32 -1.87 0.22 116.42 122.03 3lin h ASP 36 Ca -0.37 -0.02 -0.21 0.00 0.02 0.00 0.00 57.03 56.45 3lin h ASP 36 Cb 1.18 -0.21 -0.20 0.00 0.22 0.00 0.00 39.33 40.32 3lin h ASP 36 CO 0.59 0.61 -0.71 -0.32 -1.72 0.00 0.00 179.24 177.69 3lin s MET 37 N -5.80 0.44 0.48 3.56 1.75 -1.26 -3.48 119.30 114.99 3lin s MET 37 Ca -0.11 -0.75 -0.20 0.00 -1.25 0.00 0.00 55.69 53.38 3lin s MET 37 Cb 0.18 -0.05 -0.09 0.00 2.84 0.00 0.00 34.83 37.71 3lin s MET 37 CO 0.78 -0.02 1.02 0.99 -0.65 0.00 0.00 175.02 177.14 3lin s THR 38 N -1.76 3.97 -0.13 10.11 2.01 -1.26 -4.36 115.64 124.22 3lin s THR 38 Ca -0.10 1.20 0.02 0.00 0.31 0.00 0.00 61.69 63.11 3lin s THR 38 Cb -0.08 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 68.94 3lin s THR 38 CO -0.01 -0.30 -0.20 -0.69 -0.69 0.00 0.00 174.62 172.73 3lin s VAL 39 N -2.09 2.32 -0.06 3.82 1.01 0.75 -1.31 120.40 124.84 3lin s VAL 39 Ca 0.65 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.77 3lin s VAL 39 Cb -0.14 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 3lin s VAL 39 CO 0.20 0.54 -0.18 -0.63 0.00 0.00 0.00 175.10 175.03 3lin s ILE 40 N 0.59 2.70 0.39 2.22 1.01 -0.53 -1.19 121.20 126.38 3lin s ILE 40 Ca -0.11 -0.84 -0.27 0.00 0.00 0.00 0.00 60.65 59.43 3lin s ILE 40 Cb -0.16 -2.04 -0.09 0.00 0.01 0.00 0.00 42.46 40.17 3lin s ILE 40 CO 0.03 0.57 1.33 -2.84 0.00 0.00 0.00 174.94 174.03 3lin s PRO 41 N -0.40 4.06 0.58 2.79 0.02 -1.04 -0.83 135.00 140.19 3lin s PRO 41 Ca 0.04 2.23 0.28 0.00 0.02 0.00 0.00 61.00 63.57 3lin s PRO 41 Cb -0.12 -2.84 1.70 0.00 0.02 0.00 0.00 34.50 33.25 3lin s PRO 41 CO 0.02 -0.44 2.16 0.97 -0.33 0.00 0.00 177.00 179.38 3lin h ILE 42 N 2.64 0.53 0.00 2.83 2.10 -1.55 -2.10 117.51 121.95 3lin h ILE 42 Ca -0.50 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.44 3lin h ILE 42 Cb 1.24 0.91 -0.00 0.00 -1.09 0.00 0.00 36.82 37.88 3lin h ILE 42 CO 0.63 0.00 -0.03 0.00 -1.08 0.00 0.00 178.15 177.67 3lin h ALA 43 N 1.87 1.53 0.00 0.18 0.00 -1.91 -2.25 119.26 118.68 3lin h ALA 43 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3lin h ALA 43 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3lin h ALA 43 CO -0.00 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.57 3lin n LEU 44 N -3.89 0.00 -4.77 0.00 4.77 -0.79 -4.77 117.00 107.55 3lin n LEU 44 Ca -0.03 0.40 -0.32 0.00 -0.03 0.00 0.00 56.01 56.03 3lin n LEU 44 Cb 0.12 -0.40 -0.07 0.00 -2.33 0.00 0.00 43.42 40.74 3lin n LEU 44 CO 0.29 -0.10 -0.27 -0.36 -1.33 0.00 0.00 177.39 175.62 3lin s PHE 45 N -2.79 3.22 0.62 -1.77 0.40 -0.85 -4.65 117.98 112.15 3lin s PHE 45 Ca 0.16 0.13 -0.18 0.00 -0.60 0.00 0.00 56.93 56.44 3lin s PHE 45 Cb 0.15 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.97 3lin s PHE 45 CO 0.37 0.53 1.23 -1.54 0.70 0.00 0.00 175.22 176.51 3lin s SER 46 N -1.99 4.98 0.48 1.36 1.04 -1.26 -4.88 113.70 113.43 3lin s SER 46 Ca 0.25 2.45 0.29 0.00 0.48 0.00 0.00 55.95 59.42 3lin s SER 46 Cb -0.12 -2.60 1.37 0.00 0.10 0.00 0.00 66.02 64.77 3lin s SER 46 CO 0.17 -1.74 1.78 0.28 0.98 0.00 0.00 173.24 174.70 3lin h SER 47 N 0.73 0.19 -0.16 7.02 0.02 -1.94 -2.78 113.55 116.63 3lin h SER 47 Ca -0.50 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3lin h SER 47 Cb 1.31 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.86 3lin h SER 47 CO 0.54 0.02 0.00 0.59 -1.14 0.00 0.00 176.83 176.84 3lin n ASN 48 N -4.39 2.78 -4.77 3.07 3.02 -1.26 -5.04 115.26 108.66 3lin n ASN 48 Ca 0.26 -1.82 -0.41 0.00 -0.03 0.00 0.00 54.58 52.59 3lin n ASN 48 Cb 1.13 -0.10 0.01 0.00 -0.61 0.00 0.00 39.78 40.20 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 -1.39 2.05 -0.01 3.41 -4.23 -1.05 -4.94 115.64 109.48 3lin s THR 49 Ca 0.26 0.05 -0.30 0.00 -1.18 0.00 0.00 61.69 60.51 3lin s THR 49 Cb 0.16 -3.03 -0.06 0.00 1.34 0.00 0.00 72.50 70.91 3lin s THR 49 CO 0.24 0.01 1.54 -2.84 -0.54 0.00 0.00 174.62 173.03 3lin s PRO 50 N -2.23 4.22 0.06 3.99 0.02 -1.26 -5.02 135.00 134.79 3lin s PRO 50 Ca 0.56 2.12 0.06 0.00 0.02 0.00 0.00 61.00 63.76 3lin s PRO 50 Cb -0.46 -3.72 -0.03 0.00 0.02 0.00 0.00 34.50 30.32 3lin s PRO 50 CO 0.61 -0.71 -0.18 -0.51 -0.33 0.00 0.00 177.00 175.88 3lin s LEU 51 N 3.05 2.21 -0.04 -5.54 1.43 -1.26 -3.96 118.68 114.57 3lin s LEU 51 Ca 0.69 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 53.16 3lin s LEU 51 Cb -0.34 -0.78 -0.05 0.00 0.03 0.00 0.00 46.19 45.06 3lin s LEU 51 CO 0.28 0.07 0.25 -0.54 0.23 0.00 0.00 176.35 176.64 3lin s LYS 52 N -1.39 3.59 0.61 1.70 1.02 -0.00 -4.87 119.74 120.40 3lin s LYS 52 Ca 0.04 -0.00 -0.18 0.00 0.02 0.00 0.00 55.97 55.85 3lin s LYS 52 Cb -0.09 -3.15 -0.03 0.00 -0.52 0.00 0.00 37.83 34.05 3lin s LYS 52 CO 0.02 0.71 1.21 -0.80 -0.92 0.00 0.00 175.35 175.57 3lin s ASN 53 N -1.34 5.06 0.00 2.83 0.01 -1.26 -0.48 114.94 119.76 3lin s ASN 53 Ca 0.22 2.40 -0.28 0.00 -0.71 0.00 0.00 52.86 54.49 3lin s ASN 53 Cb -0.13 -2.60 0.09 0.00 0.41 0.00 0.00 41.25 39.02 3lin s ASN 53 CO 0.11 -1.68 0.77 0.28 -1.51 0.00 0.00 177.10 175.07 3lin s THR 54 N -1.62 0.00 -0.04 1.60 -1.32 -1.26 -4.68 115.64 108.32 3lin s THR 54 Ca 0.77 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 61.26 3lin s THR 54 Cb -0.31 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.65 3lin s THR 54 CO 0.35 0.00 -0.03 -0.55 -2.21 0.00 0.00 174.62 172.17 3lin s SER 55 N -1.98 4.91 -0.01 8.08 0.15 -1.26 -4.48 113.70 119.09 3lin s SER 55 Ca -0.01 -0.00 0.01 0.00 0.70 0.00 0.00 55.95 56.65 3lin s SER 55 Cb -0.01 -1.27 0.01 0.00 -1.71 0.00 0.00 66.02 63.04 3lin s SER 55 CO -0.03 0.33 -0.03 -0.69 1.20 0.00 0.00 173.24 174.01 3lin s VAL 56 N -0.94 0.32 -0.29 4.45 1.01 -0.44 -4.99 120.40 119.52 3lin s VAL 56 Ca 0.15 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 3lin s VAL 56 Cb -0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 3lin s VAL 56 CO 0.05 0.12 0.14 -0.22 0.00 0.00 0.00 175.10 175.19 3lin s LEU 57 N 0.28 3.96 0.00 3.92 1.98 -1.26 -0.73 118.68 126.83 3lin s LEU 57 Ca -0.03 -0.37 0.01 0.00 -2.89 0.00 0.00 54.13 50.85 3lin s LEU 57 Cb -0.06 -2.01 -0.00 0.00 0.66 0.00 0.00 46.19 44.78 3lin s LEU 57 CO -0.00 -0.14 0.05 0.61 -1.89 0.00 0.00 176.35 174.97 3lin n GLY 58 N 4.99 3.70 0.35 7.98 0.00 -0.96 -5.01 105.19 116.24 3lin n GLY 58 Ca -0.14 -2.17 0.15 0.00 0.00 0.00 0.00 46.02 43.86 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 1.29 2.21 0.00 4.61 0.00 -2.03 -1.35 119.26 123.99 3lin h ALA 59 Ca -0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3lin h ALA 59 Cb 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3lin h ALA 59 CO 0.36 -0.34 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3lin n GLY 60 N -1.57 -1.36 0.00 0.00 0.00 -1.26 -5.03 105.19 95.97 3lin n GLY 60 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3lin n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lin n GLY 61 N 1.04 0.24 3.68 -0.02 0.00 -0.51 -5.01 105.19 104.60 3lin n GLY 61 Ca 0.06 -2.30 -0.42 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.34 4.34 -0.09 1.61 2.00 -1.26 -2.26 119.66 123.67 3lin s GLN 62 Ca 0.00 1.17 0.03 0.00 -2.00 0.00 0.00 55.36 54.56 3lin s GLN 62 Cb 0.00 -3.56 -0.01 0.00 0.80 0.00 0.00 33.01 30.23 3lin s GLN 62 CO 0.00 -0.34 -0.19 -0.08 -0.50 0.00 0.00 175.29 174.18 3lin s THR 63 N 2.15 2.54 -0.04 -0.34 -1.32 0.09 -4.96 115.64 113.75 3lin s THR 63 Ca 0.42 -0.87 0.18 0.00 -1.21 0.00 0.00 61.69 60.21 3lin s THR 63 Cb -0.17 -1.99 -0.27 0.00 -1.51 0.00 0.00 72.50 68.55 3lin s THR 63 CO 0.14 0.56 0.35 0.00 -2.21 0.00 0.00 174.62 173.46 3lin n GLN 64 N 3.15 0.63 -0.08 7.08 1.13 -1.26 -1.33 117.38 126.70 3lin n GLN 64 Ca -0.18 -0.14 -0.08 0.00 -1.94 0.00 0.00 57.00 54.65 3lin n GLN 64 Cb 0.52 -1.43 -0.12 0.00 0.11 0.00 0.00 30.24 29.33 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 -2.19 1.38 -0.23 1.08 8.00 -1.26 -4.41 116.55 118.92 3lin n ASP 65 Ca -0.06 -0.01 -0.06 0.00 0.71 0.00 0.00 54.79 55.37 3lin n ASP 65 Cb 0.54 0.75 0.05 0.00 -0.02 0.00 0.00 41.12 42.44 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 0.00 0.86 -3.69 1.24 3.86 -1.89 -3.44 115.15 112.08 3lin h HIS 66 Ca -0.41 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.13 3lin h HIS 66 Cb 1.91 -0.28 -0.18 0.00 1.06 0.00 0.00 27.41 29.92 3lin h HIS 66 CO 0.00 0.57 -0.77 -0.06 0.86 0.00 0.00 177.93 178.53 3lin s PHE 67 N -6.02 2.64 0.29 2.45 0.08 -1.26 -1.47 117.98 114.69 3lin s PHE 67 Ca -0.13 -0.20 0.07 0.00 0.12 0.00 0.00 56.93 56.78 3lin s PHE 67 Cb 0.14 -1.42 -0.06 0.00 -0.57 0.00 0.00 43.02 41.11 3lin s PHE 67 CO 0.77 0.38 -0.06 0.15 -0.10 0.00 0.00 175.22 176.36 3lin s LYS 68 N -2.00 1.58 0.03 0.44 -0.14 -0.36 -3.98 119.74 115.30 3lin s LYS 68 Ca 0.19 -1.80 -0.00 0.00 -1.36 0.00 0.00 55.97 53.00 3lin s LYS 68 Cb -0.11 -1.19 -0.04 0.00 -1.68 0.00 0.00 37.83 34.81 3lin s LYS 68 CO 0.11 0.04 0.14 -0.51 -0.76 0.00 0.00 175.35 174.36 3lin s LEU 69 N -3.46 4.10 0.91 3.17 1.43 0.37 -0.34 118.68 124.86 3lin s LEU 69 Ca 0.30 0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 53.47 3lin s LEU 69 Cb 0.04 -2.58 0.14 0.00 0.03 0.00 0.00 46.19 43.81 3lin s LEU 69 CO 0.12 0.22 1.09 0.42 0.23 0.00 0.00 176.35 178.44 3lin s THR 70 N -1.35 2.61 -0.15 5.49 -4.23 -0.72 -0.82 115.64 116.47 3lin s THR 70 Ca 0.29 0.20 0.16 0.00 -1.18 0.00 0.00 61.69 61.15 3lin s THR 70 Cb -0.12 -2.59 -0.22 0.00 1.34 0.00 0.00 72.50 70.91 3lin s THR 70 CO 0.21 -0.26 0.10 -1.20 -0.54 0.00 0.00 174.62 172.93 3lin n SER 71 N -3.98 0.79 -4.66 3.99 7.64 -1.25 -4.65 113.62 111.50 3lin n SER 71 Ca 0.07 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.69 3lin n SER 71 Cb 0.54 1.04 -0.08 0.00 -1.01 0.00 0.00 64.21 64.71 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 -5.12 3.29 0.90 -3.43 1.43 -1.26 -5.05 118.68 109.43 3lin s LEU 72 Ca -0.08 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.49 3lin s LEU 72 Cb 0.06 -1.94 0.14 0.00 0.03 0.00 0.00 46.19 44.48 3lin s LEU 72 CO 0.71 0.08 1.15 -2.84 0.23 0.00 0.00 176.35 175.68 3lin s PRO 73 N -2.99 1.13 -0.11 1.29 0.02 -1.23 -4.75 135.00 128.36 3lin s PRO 73 Ca 0.28 1.57 0.02 0.00 0.02 0.00 0.00 61.00 62.88 3lin s PRO 73 Cb -0.09 -1.74 -0.01 0.00 0.02 0.00 0.00 34.50 32.68 3lin s PRO 73 CO 0.19 -2.55 -0.17 0.08 -0.33 0.00 0.00 177.00 174.22 3lin s VAL 74 N -2.59 2.74 -0.15 3.83 1.01 -0.35 -4.61 120.40 120.27 3lin s VAL 74 Ca 0.67 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 3lin s VAL 74 Cb -0.23 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3lin s VAL 74 CO 0.57 0.54 0.10 -0.76 0.00 0.00 0.00 175.10 175.56 3lin s LEU 75 N 0.18 4.13 -0.10 3.92 1.43 -0.39 -0.97 118.68 126.87 3lin s LEU 75 Ca -0.10 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 3lin s LEU 75 Cb -0.16 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.06 3lin s LEU 75 CO 0.06 0.29 -0.08 -0.63 0.23 0.00 0.00 176.35 176.22 3lin s ILE 76 N -0.32 1.03 -0.15 -0.59 1.01 -0.56 0.37 121.20 121.99 3lin s ILE 76 Ca 0.10 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.40 3lin s ILE 76 Cb -0.12 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 3lin s ILE 76 CO 0.01 0.36 -0.03 -0.13 0.00 0.00 0.00 174.94 175.15 3lin s ARG 77 N 1.53 3.65 0.36 2.79 0.52 -0.04 -0.24 118.95 127.51 3lin s ARG 77 Ca 0.02 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 54.72 3lin s ARG 77 Cb -0.13 -2.91 -0.03 0.00 0.52 0.00 0.00 34.95 32.40 3lin s ARG 77 CO -0.06 0.27 0.56 -0.51 0.02 0.00 0.00 175.30 175.57 3lin s LEU 78 N 0.30 3.98 0.40 2.53 1.43 -1.26 -1.37 118.68 124.70 3lin s LEU 78 Ca -0.03 0.43 0.10 0.00 -1.03 0.00 0.00 54.13 53.59 3lin s LEU 78 Cb -0.14 -3.29 0.84 0.00 0.03 0.00 0.00 46.19 43.62 3lin s LEU 78 CO 0.03 -0.33 1.96 -0.65 0.23 0.00 0.00 176.35 177.58 3lin h PRO 79 N 0.72 0.26 -0.65 1.29 0.11 -2.00 -3.13 132.00 128.60 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 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3lin h PRO 79 CO 0.61 0.34 0.00 1.97 -0.21 0.00 0.00 178.00 180.71 3lin n PHE 80 N -4.33 1.17 -3.79 0.65 -1.74 -1.26 -4.89 117.46 103.26 3lin n PHE 80 Ca -0.00 -0.56 -0.14 0.00 -0.56 0.00 0.00 57.45 56.18 3lin n PHE 80 Cb 0.22 -0.12 -0.15 0.00 1.52 0.00 0.00 39.48 40.94 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 -1.45 -0.02 0.08 3.97 0.52 -1.19 -5.04 118.95 115.83 3lin s ARG 81 Ca 0.48 0.15 -0.01 0.00 -0.52 0.00 0.00 55.73 55.83 3lin s ARG 81 Cb 0.28 -0.18 -0.26 0.00 0.52 0.00 0.00 34.95 35.31 3lin s ARG 81 CO 0.27 -0.13 1.15 1.79 0.02 0.00 0.00 175.30 178.41 3lin h THR 82 N 5.99 1.52 -3.35 0.02 1.35 -1.90 -3.36 112.91 113.18 3lin h THR 82 Ca -0.40 -3.14 -0.53 0.00 -0.55 0.00 0.00 66.41 61.79 3lin h THR 82 Cb 1.14 2.90 -0.00 0.00 -1.73 0.00 0.00 68.15 70.46 3lin h THR 82 CO 0.48 0.91 0.48 -0.89 -0.25 0.00 0.00 175.52 176.25 3lin s THR 83 N -2.67 4.25 0.39 6.82 2.01 -1.26 -5.02 115.64 120.17 3lin s THR 83 Ca -0.03 1.69 -0.25 0.00 0.31 0.00 0.00 61.69 63.42 3lin s THR 83 Cb 0.08 -4.08 -0.09 0.00 0.01 0.00 0.00 72.50 68.42 3lin s THR 83 CO 0.86 0.17 1.08 -2.16 -0.69 0.00 0.00 174.62 173.89 3lin s PRO 84 N 0.67 4.16 0.23 4.92 0.04 -1.26 -4.71 135.00 139.04 3lin s PRO 84 Ca 0.54 1.61 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 3lin s PRO 84 Cb -0.27 -2.61 -0.09 0.00 0.04 0.00 0.00 34.50 31.58 3lin s PRO 84 CO 0.30 -0.17 1.13 0.42 0.04 0.00 0.00 177.00 178.72 3lin s ILE 85 N -1.57 3.58 -0.25 0.56 1.01 0.66 -4.88 121.20 120.32 3lin s ILE 85 Ca 0.57 1.47 0.03 0.00 0.00 0.00 0.00 60.65 62.72 3lin s ILE 85 Cb -0.25 -3.94 0.05 0.00 0.01 0.00 0.00 42.46 38.34 3lin s ILE 85 CO 0.31 0.30 -0.13 -0.69 0.00 0.00 0.00 174.94 174.73 3lin s VAL 86 N -0.68 2.16 -0.26 2.92 1.01 -1.26 -1.50 120.40 122.80 3lin s VAL 86 Ca 0.48 -1.50 -0.14 0.00 0.00 0.00 0.00 61.98 60.81 3lin s VAL 86 Cb -0.32 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3lin s VAL 86 CO 0.39 0.08 0.32 -0.76 0.00 0.00 0.00 175.10 175.13 3lin s LEU 87 N 1.14 4.06 0.30 3.92 1.43 -0.14 -4.97 118.68 124.42 3lin s LEU 87 Ca -0.06 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 3lin s LEU 87 Cb -0.19 -2.35 0.48 0.00 0.03 0.00 0.00 46.19 44.16 3lin s LEU 87 CO -0.06 -0.12 1.80 0.71 0.23 0.00 0.00 176.35 178.91 3lin h THR 88 N 5.28 1.23 -3.61 5.49 1.35 -1.93 -0.93 112.91 119.79 3lin h THR 88 Ca -0.34 -1.00 -0.08 0.00 -0.55 0.00 0.00 66.41 64.44 3lin h THR 88 Cb 1.17 1.08 -0.14 0.00 -1.73 0.00 0.00 68.15 68.53 3lin h THR 88 CO 0.64 0.33 -0.27 -0.94 -0.25 0.00 0.00 175.52 175.03 3lin s SER 89 N -6.75 -0.01 0.37 5.36 1.04 -1.26 -3.57 113.70 108.88 3lin s SER 89 Ca -0.08 -0.48 -0.07 0.00 0.48 0.00 0.00 55.95 55.80 3lin s SER 89 Cb 0.15 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.67 3lin s SER 89 CO 0.78 -0.74 0.60 0.00 0.98 0.00 0.00 173.24 174.86 3lin s LEU 91 N 0.00 3.50 -0.07 0.00 1.43 -0.43 -1.76 118.68 121.36 3lin s LEU 91 Ca 0.24 1.18 0.01 0.00 -1.03 0.00 0.00 54.13 54.53 3lin s LEU 91 Cb -0.02 -4.16 0.02 0.00 0.03 0.00 0.00 46.19 42.05 3lin s LEU 91 CO 0.17 -0.67 -0.09 -0.69 0.23 0.00 0.00 176.35 175.31 3lin s VAL 92 N -2.86 0.93 -0.47 -1.59 1.01 0.54 -1.45 120.40 116.51 3lin s VAL 92 Ca 0.51 -0.32 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 3lin s VAL 92 Cb -0.11 -0.90 0.04 0.00 0.00 0.00 0.00 36.38 35.41 3lin s VAL 92 CO 0.46 0.32 0.62 -0.62 0.00 0.00 0.00 175.10 175.88 3lin s ASP 93 N 1.01 6.27 0.36 3.32 2.15 -0.01 -1.23 116.67 128.54 3lin s ASP 93 Ca -0.09 -0.60 0.25 0.00 0.43 0.00 0.00 52.55 52.54 3lin s ASP 93 Cb -0.15 -2.30 0.62 0.00 -0.30 0.00 0.00 42.92 40.79 3lin s ASP 93 CO -0.00 -0.82 1.70 0.71 -0.17 0.00 0.00 175.17 176.59 3lin h THR 94 N 5.86 0.00 0.00 1.71 1.35 -1.58 -1.21 112.91 119.04 3lin h THR 94 Ca -0.26 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 3lin h THR 94 Cb 1.10 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 3lin h THR 94 CO 0.92 0.00 -0.33 0.29 -0.25 0.00 0.00 175.52 176.14 3lin n LYS 95 N -2.77 0.18 0.00 4.72 4.76 -1.26 -4.88 118.16 118.91 3lin n LYS 95 Ca 0.04 0.07 0.10 0.00 -2.87 0.00 0.00 58.31 55.65 3lin n LYS 95 Cb 0.46 -0.74 -0.10 0.00 -1.84 0.00 0.00 35.03 32.82 3lin n LYS 95 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3lin n ASN 96 N -3.28 1.17 -3.00 4.39 3.02 -1.26 -4.99 115.26 111.31 3lin n ASN 96 Ca -0.05 -1.08 -0.17 0.00 -0.03 0.00 0.00 54.58 53.24 3lin n ASN 96 Cb 0.17 0.90 0.07 0.00 -0.61 0.00 0.00 39.78 40.31 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 -1.20 -4.25 -4.78 6.41 5.15 -1.26 -4.99 115.26 110.33 3lin n ASN 97 Ca 0.05 -0.46 -0.37 0.00 -0.60 0.00 0.00 54.58 53.19 3lin n ASN 97 Cb 0.35 -4.22 -0.05 0.00 -0.53 0.00 0.00 39.78 35.33 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 -3.27 3.41 -0.16 1.20 0.51 -1.26 -4.81 118.94 114.56 3lin s TRP 98 Ca 0.30 1.69 0.01 0.00 -2.12 0.00 0.00 56.10 55.97 3lin s TRP 98 Cb -0.13 -3.10 0.02 0.00 -0.81 0.00 0.00 33.47 29.45 3lin s TRP 98 CO 0.59 -0.42 -0.15 0.00 -0.51 0.00 0.00 176.95 176.46 3lin s ALA 99 N -1.57 1.99 -0.05 0.98 0.00 -1.26 -2.49 121.76 119.35 3lin s ALA 99 Ca 0.54 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 3lin s ALA 99 Cb -0.23 -1.10 0.04 0.00 0.00 0.00 0.00 23.12 21.82 3lin s ALA 99 CO 0.29 -0.41 0.10 0.42 0.00 0.00 0.00 175.76 176.16 3lin s ILE 100 N 1.43 -0.10 -0.41 0.00 1.01 -0.34 -1.18 121.20 121.61 3lin s ILE 100 Ca 0.04 0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.79 3lin s ILE 100 Cb -0.13 -0.19 0.02 0.00 0.01 0.00 0.00 42.46 42.17 3lin s ILE 100 CO -0.11 0.11 0.46 -0.63 0.00 0.00 0.00 174.94 174.77 3lin s ILE 101 N 1.52 5.05 0.00 2.92 1.01 0.55 -0.17 121.20 132.08 3lin s ILE 101 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.44 3lin s ILE 101 Cb -0.12 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.32 3lin s ILE 101 CO -0.05 -0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.12 3lin n GLY 102 N 5.05 2.05 0.21 6.18 0.00 -1.26 -1.49 105.19 115.93 3lin n GLY 102 Ca -0.06 -2.10 0.04 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.14 1.61 3.08 -0.71 -1.47 114.38 116.75 3lin h ARG 103 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 3lin h ARG 103 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 3lin h ARG 103 CO 0.00 0.24 -0.22 0.38 -1.07 0.00 0.00 179.97 179.30 3lin h ASP 104 N 0.00 -0.68 -0.01 7.04 3.04 -1.80 0.43 116.42 124.44 3lin h ASP 104 Ca -0.00 0.11 -0.18 0.00 -3.24 0.00 0.00 57.03 53.72 3lin h ASP 104 Cb 0.43 0.31 -0.00 0.00 -1.04 0.00 0.00 39.33 39.03 3lin h ASP 104 CO 0.03 -0.27 -0.63 0.00 -2.04 0.00 0.00 179.24 176.33 3lin h ALA 105 N 0.71 0.57 -0.66 4.15 0.00 -1.81 -3.10 119.26 119.11 3lin h ALA 105 Ca 0.10 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 3lin h ALA 105 Cb 0.43 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3lin h ALA 105 CO -0.30 0.70 0.14 -0.07 0.00 0.00 0.00 179.25 179.73 3lin h LEU 106 N 0.46 1.01 -0.80 0.00 3.38 -1.04 -0.60 115.31 117.71 3lin h LEU 106 Ca -0.01 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 57.84 3lin h LEU 106 Cb 1.20 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.61 3lin h LEU 106 CO 0.12 0.98 0.45 -0.61 0.09 0.00 0.00 178.44 179.48 3lin h GLN 107 N 1.01 0.73 0.00 1.13 4.15 -0.97 0.23 115.11 121.40 3lin h GLN 107 Ca 0.21 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.52 3lin h GLN 107 Cb 0.38 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 3lin h GLN 107 CO 0.01 0.48 -0.31 1.96 -1.93 0.00 0.00 178.83 179.04 3lin h GLN 108 N 0.75 0.00 -0.63 1.69 4.20 -1.06 -1.75 115.11 118.31 3lin h GLN 108 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 3lin h GLN 108 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3lin h GLN 108 CO -0.25 0.31 0.00 0.00 -0.67 0.00 0.00 178.83 178.21 3lin n GLN 110 N 0.59 -5.06 -2.15 0.00 6.02 -0.66 -4.95 117.38 111.17 3lin n GLN 110 Ca 0.24 0.55 -0.39 0.00 -0.01 0.00 0.00 57.00 57.40 3lin n GLN 110 Cb 1.06 -5.40 -0.01 0.00 1.02 0.00 0.00 30.24 26.91 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 -3.34 2.90 0.09 1.08 0.00 0.76 -5.02 107.32 103.81 3lin s GLY 111 Ca 0.66 1.11 0.03 0.00 0.00 0.00 0.00 44.72 46.52 3lin s GLY 111 CO 0.85 1.66 -0.08 -1.34 0.00 0.00 0.00 173.10 174.19 3lin s VAL 112 N -1.33 0.78 -0.08 1.40 -7.23 -1.26 -4.73 120.40 107.95 3lin s VAL 112 Ca 0.57 -1.75 -0.14 0.00 -1.81 0.00 0.00 61.98 58.86 3lin s VAL 112 Cb -0.35 -1.46 -0.05 0.00 0.56 0.00 0.00 36.38 35.08 3lin s VAL 112 CO 0.44 -0.71 0.34 -0.22 -0.31 0.00 0.00 175.10 174.65 3lin s LEU 113 N -2.69 4.37 -0.16 1.32 2.96 -1.26 -5.09 118.68 118.13 3lin s LEU 113 Ca 0.07 0.74 0.01 0.00 -0.22 0.00 0.00 54.13 54.74 3lin s LEU 113 Cb 0.01 -2.46 0.02 0.00 0.50 0.00 0.00 46.19 44.25 3lin s LEU 113 CO -0.02 0.23 -0.19 -0.47 -1.32 0.00 0.00 176.35 174.58 3lin s TYR 114 N -0.43 2.58 -0.32 5.38 5.04 -1.26 -5.09 117.35 123.25 3lin s TYR 114 Ca 0.21 -1.43 -0.02 0.00 -2.44 0.00 0.00 57.07 53.39 3lin s TYR 114 Cb -0.15 -1.80 0.06 0.00 0.35 0.00 0.00 41.96 40.43 3lin s TYR 114 CO 0.09 -0.70 0.04 -0.51 -1.34 0.00 0.00 175.55 173.13 3lin s LEU 115 N 1.16 4.21 0.00 6.97 1.43 -1.26 -5.15 118.68 126.04 3lin s LEU 115 Ca 0.01 -1.46 0.00 0.00 -1.03 0.00 0.00 54.13 51.64 3lin s LEU 115 Cb -0.14 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.35 3lin s LEU 115 CO -0.09 -0.32 0.38 -0.81 0.23 0.00 0.00 176.35 175.75