#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3liy s VAL 2 N 0.00 4.86 -0.28 0.52 1.01 -1.26 -5.05 120.40 120.20 3liy s VAL 2 Ca 0.00 1.83 0.02 0.00 0.00 0.00 0.00 61.98 63.84 3liy s VAL 2 Cb 0.00 -4.22 0.06 0.00 0.00 0.00 0.00 36.38 32.23 3liy s VAL 2 CO 0.00 0.23 -0.07 -0.63 0.00 0.00 0.00 175.10 174.63 3liy s ILE 3 N 0.69 2.32 0.50 2.22 1.01 -1.26 -5.10 121.20 121.58 3liy s ILE 3 Ca 0.46 -1.70 -0.21 0.00 0.00 0.00 0.00 60.65 59.19 3liy s ILE 3 Cb -0.20 -2.41 -0.07 0.00 0.01 0.00 0.00 42.46 39.79 3liy s ILE 3 CO 0.25 -0.12 1.14 -2.84 0.00 0.00 0.00 174.94 173.36 3liy s PRO 4 N 1.10 3.56 -0.16 2.79 0.02 -1.26 -5.01 135.00 136.04 3liy s PRO 4 Ca -0.06 1.66 -0.05 0.00 0.02 0.00 0.00 61.00 62.57 3liy s PRO 4 Cb -0.20 -2.19 -0.04 0.00 0.02 0.00 0.00 34.50 32.10 3liy s PRO 4 CO -0.05 -0.69 0.02 -0.51 -0.33 0.00 0.00 177.00 175.45 3liy s LEU 5 N -3.43 3.59 -0.13 -5.54 1.43 -1.26 -4.94 118.68 108.39 3liy s LEU 5 Ca 0.68 0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.74 3liy s LEU 5 Cb -0.25 -1.88 0.06 0.00 0.03 0.00 0.00 46.19 44.14 3liy s LEU 5 CO 0.30 0.20 0.30 -0.62 0.23 0.00 0.00 176.35 176.75 3liy s ASP 6 N 0.22 -0.05 0.46 2.29 -1.08 -1.26 -5.03 116.67 112.21 3liy s ASP 6 Ca 0.01 0.66 0.19 0.00 -0.52 0.00 0.00 52.55 52.89 3liy s ASP 6 Cb -0.13 0.68 1.16 0.00 -1.46 0.00 0.00 42.92 43.17 3liy s ASP 6 CO 0.01 -0.21 1.93 1.55 0.52 0.00 0.00 175.17 178.98 3liy h PRO 7 N 7.73 0.29 -0.00 4.34 0.13 -2.03 -2.37 132.00 140.09 3liy h PRO 7 Ca -0.27 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3liy h PRO 7 Cb 1.14 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3liy h PRO 7 CO 0.24 0.19 -0.27 0.00 -0.23 0.00 0.00 178.00 177.93 3liy n ALA 8 N -2.56 3.00 -3.90 -0.56 0.00 -1.26 -4.71 120.51 110.52 3liy n ALA 8 Ca 0.14 -0.24 -0.27 0.00 0.00 0.00 0.00 53.44 53.06 3liy n ALA 8 Cb 0.57 -1.28 -0.17 0.00 0.00 0.00 0.00 19.45 18.58 3liy n ALA 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3liy s ARG 9 N -2.98 1.49 0.15 0.00 0.52 -0.89 -5.12 118.95 112.12 3liy s ARG 9 Ca 0.13 -0.38 -0.30 0.00 -0.52 0.00 0.00 55.73 54.66 3liy s ARG 9 Cb 0.18 -1.78 -0.08 0.00 0.52 0.00 0.00 34.95 33.79 3liy s ARG 9 CO 0.62 -0.34 1.24 1.03 0.02 0.00 0.00 175.30 177.86 3liy s ARG 10 N 1.67 4.44 -0.55 3.54 0.52 -1.26 -4.32 118.95 122.99 3liy s ARG 10 Ca 0.03 1.90 -0.28 0.00 -0.52 0.00 0.00 55.73 56.86 3liy s ARG 10 Cb -0.14 -3.26 0.02 0.00 0.52 0.00 0.00 34.95 32.09 3liy s ARG 10 CO -0.08 -0.19 1.35 -1.25 0.02 0.00 0.00 175.30 175.15 3liy s PRO 11 N 0.22 3.39 0.34 3.54 0.04 -1.26 -4.99 135.00 136.29 3liy s PRO 11 Ca 0.56 0.46 0.09 0.00 0.04 0.00 0.00 61.00 62.15 3liy s PRO 11 Cb -0.33 -4.08 -0.06 0.00 0.04 0.00 0.00 34.50 30.07 3liy s PRO 11 CO 0.34 -1.82 -0.06 0.14 0.04 0.00 0.00 177.00 175.64 3liy s VAL 12 N 5.68 2.40 0.00 -0.36 -7.23 -1.26 -0.74 120.40 118.89 3liy s VAL 12 Ca 0.51 -2.12 -0.10 0.00 -1.81 0.00 0.00 61.98 58.46 3liy s VAL 12 Cb -0.10 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 34.15 3liy s VAL 12 CO 0.26 -0.21 0.20 -0.51 -0.31 0.00 0.00 175.10 174.53 3liy s ILE 13 N -2.57 0.08 -0.19 -0.62 2.07 -0.02 -4.86 121.20 115.09 3liy s ILE 13 Ca 0.33 -0.65 -0.21 0.00 -1.41 0.00 0.00 60.65 58.71 3liy s ILE 13 Cb 0.01 -0.54 -0.02 0.00 0.13 0.00 0.00 42.46 42.04 3liy s ILE 13 CO 0.18 -0.36 0.66 -0.54 -1.91 0.00 0.00 174.94 172.96 3liy s LYS 14 N -1.51 4.23 -0.02 3.50 -0.14 -1.26 -0.26 119.74 124.28 3liy s LYS 14 Ca -0.13 0.67 0.04 0.00 -1.36 0.00 0.00 55.97 55.20 3liy s LYS 14 Cb -0.06 -3.57 -0.01 0.00 -1.68 0.00 0.00 37.83 32.51 3liy s LYS 14 CO 0.02 -0.24 -0.16 0.00 -0.76 0.00 0.00 175.35 174.22 3liy s ALA 15 N 1.89 1.34 -0.33 5.17 0.00 0.05 -4.06 121.76 125.81 3liy s ALA 15 Ca 0.30 -0.65 -0.21 0.00 0.00 0.00 0.00 51.96 51.40 3liy s ALA 15 Cb -0.16 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 3liy s ALA 15 CO 0.11 0.29 0.69 -1.14 0.00 0.00 0.00 175.76 175.70 3liy s GLN 16 N -0.16 3.82 -0.24 0.00 0.74 0.37 -0.83 119.66 123.36 3liy s GLN 16 Ca 0.02 0.28 -0.07 0.00 0.05 0.00 0.00 55.36 55.63 3liy s GLN 16 Cb -0.08 -3.77 -0.03 0.00 1.10 0.00 0.00 33.01 30.23 3liy s GLN 16 CO 0.00 -0.69 0.07 0.08 -0.55 0.00 0.00 175.29 174.21 3liy s VAL 17 N 2.78 4.47 -0.42 1.34 1.01 0.57 -0.92 120.40 129.23 3liy s VAL 17 Ca 0.27 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.06 3liy s VAL 17 Cb -0.14 -3.08 0.10 0.00 0.00 0.00 0.00 36.38 33.26 3liy s VAL 17 CO 0.14 0.36 0.24 -0.62 0.00 0.00 0.00 175.10 175.22 3liy s ASP 18 N 1.34 5.48 0.00 3.32 2.15 0.62 -1.87 116.67 127.71 3liy s ASP 18 Ca 0.05 -1.74 0.25 0.00 0.43 0.00 0.00 52.55 51.54 3liy s ASP 18 Cb -0.15 -1.92 1.18 0.00 -0.30 0.00 0.00 42.92 41.72 3liy s ASP 18 CO 0.04 -0.55 1.82 0.35 -0.17 0.00 0.00 175.17 176.66 3liy n THR 19 N 4.80 0.24 -1.41 1.71 -2.24 -1.26 -1.68 114.28 114.45 3liy n THR 19 Ca -0.07 0.06 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 3liy n THR 19 Cb 0.42 -0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 67.95 3liy n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3liy n GLN 20 N -1.38 -1.38 0.00 -0.78 6.02 -1.26 -4.78 117.38 113.82 3liy n GLN 20 Ca 0.09 0.98 0.00 0.00 -0.01 0.00 0.00 57.00 58.06 3liy n GLN 20 Cb 0.24 -5.26 0.00 0.00 1.02 0.00 0.00 30.24 26.24 3liy n GLN 20 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3liy n THR 21 N -2.39 0.00 -3.79 5.09 -2.24 -1.26 -5.09 114.28 104.59 3liy n THR 21 Ca -0.14 -0.45 -0.04 0.00 -2.27 0.00 0.00 64.05 61.14 3liy n THR 21 Cb 0.56 1.04 -0.01 0.00 -2.10 0.00 0.00 70.33 69.83 3liy n THR 21 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3liy s SER 22 N -0.48 -0.15 0.39 3.42 1.04 -1.26 -3.84 113.70 112.82 3liy s SER 22 Ca 0.00 -0.53 -0.27 0.00 0.48 0.00 0.00 55.95 55.64 3liy s SER 22 Cb 0.00 0.55 -0.09 0.00 0.10 0.00 0.00 66.02 66.58 3liy s SER 22 CO 0.00 -1.04 1.31 -1.00 0.98 0.00 0.00 173.24 173.49 3liy s HIS 23 N -3.16 2.86 0.57 5.02 0.09 -1.26 -4.58 115.29 114.82 3liy s HIS 23 Ca 0.14 1.40 -0.19 0.00 -0.00 0.00 0.00 55.06 56.41 3liy s HIS 23 Cb -0.03 -3.68 -0.05 0.00 -0.00 0.00 0.00 32.58 28.82 3liy s HIS 23 CO 0.04 -2.07 1.18 -2.14 -0.00 0.00 0.00 174.74 171.75 3liy s PRO 24 N -2.15 3.16 0.07 8.40 0.02 -1.26 -4.90 135.00 138.34 3liy s PRO 24 Ca 0.55 1.75 0.06 0.00 0.02 0.00 0.00 61.00 63.38 3liy s PRO 24 Cb -0.39 -1.98 -0.03 0.00 0.02 0.00 0.00 34.50 32.12 3liy s PRO 24 CO 0.50 -1.04 -0.16 0.15 -0.33 0.00 0.00 177.00 176.13 3liy s LYS 25 N -3.28 0.93 -0.20 5.54 -0.14 -0.78 -4.93 119.74 116.88 3liy s LYS 25 Ca 0.75 -0.93 -0.17 0.00 -1.36 0.00 0.00 55.97 54.26 3liy s LYS 25 Cb -0.28 -0.98 -0.04 0.00 -1.68 0.00 0.00 37.83 34.85 3liy s LYS 25 CO 0.31 0.23 0.46 0.99 -0.76 0.00 0.00 175.35 176.58 3liy s THR 26 N -1.11 5.15 0.21 2.17 2.01 -1.26 -0.32 115.64 122.49 3liy s THR 26 Ca 0.01 0.84 0.05 0.00 0.31 0.00 0.00 61.69 62.90 3liy s THR 26 Cb -0.09 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 3liy s THR 26 CO 0.02 0.21 -0.07 0.27 -0.69 0.00 0.00 174.62 174.36 3liy s ILE 27 N 1.50 1.34 -0.13 1.82 -4.36 -0.01 -4.92 121.20 116.44 3liy s ILE 27 Ca 0.22 -2.10 -0.19 0.00 -0.26 0.00 0.00 60.65 58.32 3liy s ILE 27 Cb -0.15 -2.16 -0.04 0.00 1.25 0.00 0.00 42.46 41.36 3liy s ILE 27 CO 0.09 -0.50 0.53 -0.70 0.24 0.00 0.00 174.94 174.60 3liy s GLU 28 N -3.76 4.32 0.05 0.37 2.12 -1.26 -0.77 118.70 119.77 3liy s GLU 28 Ca 0.24 0.52 0.05 0.00 0.36 0.00 0.00 54.97 56.14 3liy s GLU 28 Cb 0.03 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 3liy s GLU 28 CO 0.07 0.06 -0.15 0.00 -0.54 0.00 0.00 175.26 174.70 3liy s ALA 29 N 0.92 1.23 0.01 6.30 0.00 0.64 -4.74 121.76 126.12 3liy s ALA 29 Ca 0.28 -0.91 -0.30 0.00 0.00 0.00 0.00 51.96 51.03 3liy s ALA 29 Cb -0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3liy s ALA 29 CO 0.11 0.22 1.14 -1.17 0.00 0.00 0.00 175.76 176.06 3liy s LEU 30 N -1.35 4.34 -0.44 0.00 2.96 -0.22 -0.84 118.68 123.14 3liy s LEU 30 Ca 0.01 1.86 -0.29 0.00 -0.22 0.00 0.00 54.13 55.49 3liy s LEU 30 Cb -0.09 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.06 3liy s LEU 30 CO 0.02 -0.44 1.10 -0.76 -1.32 0.00 0.00 176.35 174.94 3liy s LEU 31 N 1.37 3.74 -0.45 -0.68 1.43 0.08 -0.04 118.68 124.12 3liy s LEU 31 Ca 0.56 0.56 0.02 0.00 -1.03 0.00 0.00 54.13 54.24 3liy s LEU 31 Cb -0.26 -3.50 0.14 0.00 0.03 0.00 0.00 46.19 42.60 3liy s LEU 31 CO 0.27 -1.14 0.25 -0.62 0.23 0.00 0.00 176.35 175.33 3liy s ASP 32 N 2.25 3.70 0.45 2.29 2.15 -0.36 -4.79 116.67 122.36 3liy s ASP 32 Ca 0.46 -2.70 0.29 0.00 0.43 0.00 0.00 52.55 51.03 3liy s ASP 32 Cb -0.09 -1.09 1.60 0.00 -0.30 0.00 0.00 42.92 43.04 3liy s ASP 32 CO 0.27 -0.26 1.90 0.71 -0.17 0.00 0.00 175.17 177.62 3liy h THR 33 N 5.24 0.00 -0.42 1.71 1.35 -1.94 -1.76 112.91 117.08 3liy h THR 33 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 3liy h THR 33 Cb 0.92 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 3liy h THR 33 CO 0.51 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 3liy n GLY 34 N -1.22 1.78 3.45 5.82 0.00 -1.26 -4.81 105.19 108.95 3liy n GLY 34 Ca -0.02 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 3liy n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3liy s ALA 35 N -1.72 3.17 0.29 4.61 0.00 -0.66 -4.98 121.76 122.48 3liy s ALA 35 Ca 0.33 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.17 3liy s ALA 35 Cb 0.21 -2.08 0.45 0.00 0.00 0.00 0.00 23.12 21.70 3liy s ALA 35 CO 0.16 -0.46 1.85 -0.44 0.00 0.00 0.00 175.76 176.87 3liy h ASP 36 N 8.18 0.73 -4.55 0.00 3.32 -1.87 -0.45 116.42 121.78 3liy h ASP 36 Ca -0.38 -0.12 -0.33 0.00 0.02 0.00 0.00 57.03 56.22 3liy h ASP 36 Cb 1.18 -0.19 -0.23 0.00 0.22 0.00 0.00 39.33 40.31 3liy h ASP 36 CO 0.58 0.71 -0.75 -0.32 -1.72 0.00 0.00 179.24 177.74 3liy s MET 37 N -5.22 0.63 0.48 3.56 1.75 -1.26 -3.37 119.30 115.87 3liy s MET 37 Ca -0.09 -0.73 -0.22 0.00 -1.25 0.00 0.00 55.69 53.39 3liy s MET 37 Cb 0.16 -0.50 -0.07 0.00 2.84 0.00 0.00 34.83 37.26 3liy s MET 37 CO 0.79 0.11 1.18 0.99 -0.65 0.00 0.00 175.02 177.44 3liy s THR 38 N -1.14 2.99 -0.10 10.11 2.01 -1.26 -4.45 115.64 123.80 3liy s THR 38 Ca -0.05 0.73 0.03 0.00 0.31 0.00 0.00 61.69 62.71 3liy s THR 38 Cb -0.09 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 69.07 3liy s THR 38 CO 0.01 -0.03 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.01 3liy s VAL 39 N -1.54 1.86 -0.03 3.82 1.01 0.04 -1.18 120.40 124.37 3liy s VAL 39 Ca 0.66 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.82 3liy s VAL 39 Cb -0.29 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 3liy s VAL 39 CO 0.35 0.51 -0.25 -0.63 0.00 0.00 0.00 175.10 175.08 3liy s ILE 40 N 0.49 2.08 0.50 2.22 -1.09 -0.15 -0.98 121.20 124.27 3liy s ILE 40 Ca -0.16 -1.09 -0.22 0.00 -2.23 0.00 0.00 60.65 56.95 3liy s ILE 40 Cb -0.17 -1.72 -0.06 0.00 -1.58 0.00 0.00 42.46 38.92 3liy s ILE 40 CO 0.06 0.58 1.25 -2.84 -1.23 0.00 0.00 174.94 172.76 3liy s PRO 41 N -0.51 3.49 0.52 2.79 0.02 -1.17 -1.08 135.00 139.06 3liy s PRO 41 Ca 0.07 1.97 0.29 0.00 0.02 0.00 0.00 61.00 63.34 3liy s PRO 41 Cb -0.11 -2.34 1.38 0.00 0.02 0.00 0.00 34.50 33.45 3liy s PRO 41 CO 0.00 -0.83 2.02 0.97 -0.33 0.00 0.00 177.00 178.83 3liy h ILE 42 N 1.68 0.43 -0.17 2.83 2.10 -1.57 -2.39 117.51 120.42 3liy h ILE 42 Ca -0.50 -0.65 0.05 0.00 1.08 0.00 0.00 64.86 64.84 3liy h ILE 42 Cb 1.27 1.46 -0.01 0.00 -1.09 0.00 0.00 36.82 38.45 3liy h ILE 42 CO 0.59 0.12 0.21 0.00 -1.08 0.00 0.00 178.15 177.98 3liy h ALA 43 N 1.88 1.73 0.00 0.18 0.00 -1.90 -0.63 119.26 120.52 3liy h ALA 43 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3liy h ALA 43 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3liy h ALA 43 CO 0.02 -0.29 0.00 1.28 0.00 0.00 0.00 179.25 180.25 3liy n LEU 44 N -3.69 0.19 -4.88 0.00 4.77 -0.90 -4.84 117.00 107.66 3liy n LEU 44 Ca 0.01 0.53 -0.31 0.00 -0.03 0.00 0.00 56.01 56.21 3liy n LEU 44 Cb 0.32 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 3liy n LEU 44 CO 0.26 -0.16 -0.18 -0.36 -1.33 0.00 0.00 177.39 175.62 3liy s PHE 45 N -3.05 3.43 0.57 -1.77 0.40 -0.24 -4.65 117.98 112.67 3liy s PHE 45 Ca 0.10 0.22 -0.21 0.00 -0.60 0.00 0.00 56.93 56.45 3liy s PHE 45 Cb 0.14 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 3liy s PHE 45 CO 0.45 0.58 1.31 -1.13 0.70 0.00 0.00 175.22 177.13 3liy n SER 46 N 0.45 2.37 -0.30 1.36 3.41 -1.25 -4.89 113.62 114.78 3liy n SER 46 Ca -0.07 0.93 0.15 0.00 -0.26 0.00 0.00 58.87 59.62 3liy n SER 46 Cb 0.51 -1.55 0.41 0.00 -0.26 0.00 0.00 64.21 63.32 3liy n SER 46 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3liy h SER 47 N 1.14 0.61 -0.59 4.04 0.02 -1.94 -2.07 113.55 114.76 3liy h SER 47 Ca -0.51 0.06 0.09 0.00 -0.84 0.00 0.00 61.79 60.60 3liy h SER 47 Cb 1.32 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 63.73 3liy h SER 47 CO 0.56 0.25 0.20 0.78 -1.14 0.00 0.00 176.83 177.47 3liy h ASN 48 N 0.62 0.17 -3.95 3.07 2.35 -1.97 -3.47 115.58 112.39 3liy h ASN 48 Ca 0.51 0.08 -0.53 0.00 -0.55 0.00 0.00 56.30 55.81 3liy h ASN 48 Cb 0.97 0.08 0.10 0.00 0.05 0.00 0.00 38.32 39.52 3liy h ASN 48 CO -0.26 0.10 0.67 0.42 -1.65 0.00 0.00 177.43 176.72 3liy s THR 49 N -6.10 2.35 0.07 2.81 -4.23 -0.78 -4.94 115.64 104.81 3liy s THR 49 Ca -0.13 0.33 -0.31 0.00 -1.18 0.00 0.00 61.69 60.40 3liy s THR 49 Cb 0.17 -3.20 -0.06 0.00 1.34 0.00 0.00 72.50 70.75 3liy s THR 49 CO 0.74 0.06 1.20 -2.84 -0.54 0.00 0.00 174.62 173.24 3liy s PRO 50 N -2.23 4.43 0.15 3.99 0.02 -1.26 -5.05 135.00 135.05 3liy s PRO 50 Ca 0.57 1.78 0.06 0.00 0.02 0.00 0.00 61.00 63.43 3liy s PRO 50 Cb -0.42 -3.34 -0.04 0.00 0.02 0.00 0.00 34.50 30.72 3liy s PRO 50 CO 0.54 -0.26 -0.13 -0.51 -0.33 0.00 0.00 177.00 176.32 3liy s LEU 51 N 1.03 2.48 0.05 -5.54 1.43 -1.26 -4.00 118.68 112.88 3liy s LEU 51 Ca 0.59 -0.93 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3liy s LEU 51 Cb -0.30 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 3liy s LEU 51 CO 0.29 -0.21 0.09 -0.54 0.23 0.00 0.00 176.35 176.21 3liy s LYS 52 N -3.27 2.97 0.46 1.70 1.02 0.68 -4.90 119.74 118.40 3liy s LYS 52 Ca 0.15 -0.61 -0.22 0.00 0.02 0.00 0.00 55.97 55.31 3liy s LYS 52 Cb -0.01 -2.79 -0.08 0.00 -0.52 0.00 0.00 37.83 34.43 3liy s LYS 52 CO 0.03 0.59 1.07 -0.80 -0.92 0.00 0.00 175.35 175.32 3liy s ASN 53 N -2.19 6.40 0.26 2.83 0.01 -1.26 -0.60 114.94 120.39 3liy s ASN 53 Ca 0.28 2.04 -0.20 0.00 -0.71 0.00 0.00 52.86 54.26 3liy s ASN 53 Cb -0.12 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 38.98 3liy s ASN 53 CO 0.20 -0.74 0.67 0.28 -1.51 0.00 0.00 177.10 175.99 3liy s THR 54 N -1.79 0.00 -0.02 1.60 -1.32 -1.26 -4.71 115.64 108.14 3liy s THR 54 Ca 0.64 -0.95 0.06 0.00 -1.21 0.00 0.00 61.69 60.23 3liy s THR 54 Cb -0.21 -1.91 -0.02 0.00 -1.51 0.00 0.00 72.50 68.85 3liy s THR 54 CO 0.25 -0.01 -0.21 -0.55 -2.21 0.00 0.00 174.62 171.90 3liy s SER 55 N -2.91 3.53 -0.02 8.08 0.15 -1.26 -4.45 113.70 116.82 3liy s SER 55 Ca 0.11 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.40 3liy s SER 55 Cb -0.05 -0.56 0.02 0.00 -1.71 0.00 0.00 66.02 63.72 3liy s SER 55 CO 0.05 0.31 -0.00 -0.69 1.20 0.00 0.00 173.24 174.11 3liy s VAL 56 N -0.72 0.14 -0.26 4.45 1.01 -0.45 -4.98 120.40 119.59 3liy s VAL 56 Ca 0.11 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 3liy s VAL 56 Cb -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 3liy s VAL 56 CO 0.01 0.11 0.49 -0.76 0.00 0.00 0.00 175.10 174.95 3liy s LEU 57 N 0.78 4.06 0.00 3.92 1.02 -1.26 -0.26 118.68 126.94 3liy s LEU 57 Ca -0.07 0.50 0.01 0.00 0.02 0.00 0.00 54.13 54.59 3liy s LEU 57 Cb -0.11 -2.63 -0.01 0.00 0.02 0.00 0.00 46.19 43.47 3liy s LEU 57 CO -0.02 -0.26 0.05 0.61 0.02 0.00 0.00 176.35 176.76 3liy n GLY 58 N 4.39 3.50 0.37 -3.19 0.00 -0.36 -4.98 105.19 104.90 3liy n GLY 58 Ca -0.05 -2.26 0.10 0.00 0.00 0.00 0.00 46.02 43.81 3liy n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3liy h ALA 59 N 1.39 1.78 -0.41 4.61 0.00 -2.03 0.48 119.26 125.08 3liy h ALA 59 Ca -0.35 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 3liy h ALA 59 Cb 1.16 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 3liy h ALA 59 CO 0.58 0.01 0.13 0.41 0.00 0.00 0.00 179.25 180.38 3liy n GLY 60 N -1.44 2.72 0.00 0.00 0.00 -1.26 -5.04 105.19 100.18 3liy n GLY 60 Ca 0.15 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3liy n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3liy n GLY 61 N 0.09 -1.36 3.75 -0.02 0.00 0.16 -4.97 105.19 102.84 3liy n GLY 61 Ca 0.22 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 3liy n GLY 61 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3liy s GLN 62 N 0.00 4.75 -0.06 1.61 0.74 -1.26 -1.23 119.66 124.22 3liy s GLN 62 Ca 0.00 1.40 0.02 0.00 0.05 0.00 0.00 55.36 56.83 3liy s GLN 62 Cb 0.00 -3.30 0.01 0.00 1.10 0.00 0.00 33.01 30.82 3liy s GLN 62 CO 0.00 0.44 -0.11 -0.08 -0.55 0.00 0.00 175.29 174.99 3liy s THR 63 N -0.83 1.05 -0.92 -0.34 -1.32 0.64 -4.97 115.64 108.96 3liy s THR 63 Ca 0.41 -0.44 0.18 0.00 -1.21 0.00 0.00 61.69 60.63 3liy s THR 63 Cb -0.25 -0.97 -0.17 0.00 -1.51 0.00 0.00 72.50 69.61 3liy s THR 63 CO 0.30 0.33 0.77 0.00 -2.21 0.00 0.00 174.62 173.81 3liy n GLN 64 N 3.75 1.23 -0.12 7.08 6.02 -1.26 -1.34 117.38 132.74 3liy n GLN 64 Ca -0.23 -0.09 -0.14 0.00 -0.01 0.00 0.00 57.00 56.53 3liy n GLN 64 Cb 0.52 -1.33 -0.13 0.00 1.02 0.00 0.00 30.24 30.31 3liy n GLN 64 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3liy n ASP 65 N -1.28 1.21 -0.18 1.08 8.00 -1.26 -4.50 116.55 119.63 3liy n ASP 65 Ca 0.04 -0.08 -0.10 0.00 0.71 0.00 0.00 54.79 55.36 3liy n ASP 65 Cb 0.29 0.18 0.03 0.00 -0.02 0.00 0.00 41.12 41.59 3liy n ASP 65 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 3liy h HIS 66 N 0.00 1.13 -3.88 1.24 3.86 -1.90 -3.45 115.15 112.15 3liy h HIS 66 Ca -0.56 -0.23 -0.68 0.00 -1.16 0.00 0.00 60.37 57.74 3liy h HIS 66 Cb 2.03 -0.28 -0.21 0.00 1.06 0.00 0.00 27.41 30.01 3liy h HIS 66 CO 0.02 1.05 -0.78 -0.06 0.86 0.00 0.00 177.93 179.02 3liy s PHE 67 N -4.85 2.64 0.44 2.45 0.08 -1.26 -1.37 117.98 116.13 3liy s PHE 67 Ca -0.11 -0.20 0.06 0.00 0.12 0.00 0.00 56.93 56.80 3liy s PHE 67 Cb 0.13 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 41.04 3liy s PHE 67 CO 0.86 0.28 0.16 0.15 -0.10 0.00 0.00 175.22 176.57 3liy s LYS 68 N -1.42 2.18 -0.00 0.44 -0.14 -0.54 -4.03 119.74 116.23 3liy s LYS 68 Ca 0.15 -1.99 0.02 0.00 -1.36 0.00 0.00 55.97 52.79 3liy s LYS 68 Cb -0.11 -1.87 -0.04 0.00 -1.68 0.00 0.00 37.83 34.13 3liy s LYS 68 CO 0.06 -0.21 -0.02 -1.17 -0.76 0.00 0.00 175.35 173.25 3liy s LEU 69 N -3.92 3.40 0.73 3.17 2.96 0.23 -0.21 118.68 125.04 3liy s LEU 69 Ca 0.34 -0.05 -0.11 0.00 -0.22 0.00 0.00 54.13 54.09 3liy s LEU 69 Cb 0.04 -1.95 0.03 0.00 0.50 0.00 0.00 46.19 44.81 3liy s LEU 69 CO 0.19 0.28 1.07 0.42 -1.32 0.00 0.00 176.35 176.99 3liy s THR 70 N -1.05 3.73 -0.13 3.68 -4.23 -0.65 -0.23 115.64 116.76 3liy s THR 70 Ca 0.19 0.56 0.19 0.00 -1.18 0.00 0.00 61.69 61.45 3liy s THR 70 Cb -0.11 -3.22 -0.19 0.00 1.34 0.00 0.00 72.50 70.32 3liy s THR 70 CO 0.09 -0.74 0.63 -1.20 -0.54 0.00 0.00 174.62 172.86 3liy n SER 71 N -3.29 0.47 -4.55 3.99 7.64 -1.26 -4.72 113.62 111.91 3liy n SER 71 Ca 0.08 0.20 -0.25 0.00 1.01 0.00 0.00 58.87 59.91 3liy n SER 71 Cb 0.53 0.85 -0.09 0.00 -1.01 0.00 0.00 64.21 64.49 3liy n SER 71 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3liy s LEU 72 N -5.32 2.90 0.89 -3.43 1.43 -1.26 -5.08 118.68 108.80 3liy s LEU 72 Ca -0.05 -0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 52.23 3liy s LEU 72 Cb 0.10 -1.51 0.13 0.00 0.03 0.00 0.00 46.19 44.93 3liy s LEU 72 CO 0.84 0.07 1.17 -2.84 0.23 0.00 0.00 176.35 175.81 3liy s PRO 73 N -3.16 1.16 -0.08 1.29 0.02 -1.23 -4.74 135.00 128.26 3liy s PRO 73 Ca 0.27 1.63 0.04 0.00 0.02 0.00 0.00 61.00 62.96 3liy s PRO 73 Cb -0.07 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.71 3liy s PRO 73 CO 0.16 -2.54 -0.20 0.08 -0.33 0.00 0.00 177.00 174.16 3liy s VAL 74 N -2.48 1.72 -0.14 3.83 1.01 -0.31 -4.58 120.40 119.45 3liy s VAL 74 Ca 0.69 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 3liy s VAL 74 Cb -0.25 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 3liy s VAL 74 CO 0.56 0.48 0.08 -0.76 0.00 0.00 0.00 175.10 175.46 3liy s LEU 75 N 0.37 4.01 -0.08 3.92 1.02 -0.67 -0.89 118.68 126.35 3liy s LEU 75 Ca -0.15 0.25 0.01 0.00 0.02 0.00 0.00 54.13 54.26 3liy s LEU 75 Cb -0.16 -1.98 0.02 0.00 0.02 0.00 0.00 46.19 44.09 3liy s LEU 75 CO 0.06 0.31 -0.08 -0.63 0.02 0.00 0.00 176.35 176.03 3liy s ILE 76 N -0.44 0.91 -0.12 -0.59 1.01 -0.43 -0.28 121.20 121.27 3liy s ILE 76 Ca 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 3liy s ILE 76 Cb -0.12 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 3liy s ILE 76 CO 0.02 0.33 -0.07 -0.13 0.00 0.00 0.00 174.94 175.08 3liy s ARG 77 N 1.17 3.31 0.51 2.79 0.52 -0.10 -0.45 118.95 126.70 3liy s ARG 77 Ca -0.06 -0.57 0.05 0.00 -0.52 0.00 0.00 55.73 54.63 3liy s ARG 77 Cb -0.14 -2.74 0.04 0.00 0.52 0.00 0.00 34.95 32.62 3liy s ARG 77 CO -0.02 0.37 0.71 -0.51 0.02 0.00 0.00 175.30 175.87 3liy s LEU 78 N -0.02 3.40 0.23 2.53 1.43 -1.26 -0.48 118.68 124.50 3liy s LEU 78 Ca -0.00 -0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 52.50 3liy s LEU 78 Cb -0.14 -2.61 -0.11 0.00 0.03 0.00 0.00 46.19 43.37 3liy s LEU 78 CO 0.03 -1.05 1.61 -2.84 0.23 0.00 0.00 176.35 174.33 3liy s PRO 79 N -4.61 4.16 -0.13 1.29 0.02 -1.26 -2.41 135.00 132.07 3liy s PRO 79 Ca 0.57 2.50 0.00 0.00 0.02 0.00 0.00 61.00 64.10 3liy s PRO 79 Cb -0.09 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.34 3liy s PRO 79 CO 0.37 -0.64 0.00 1.19 -0.33 0.00 0.00 177.00 177.58 3liy n PHE 80 N 3.27 0.00 -4.65 6.54 3.72 -1.26 -5.00 117.46 120.07 3liy n PHE 80 Ca 0.12 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.25 3liy n PHE 80 Cb 0.37 -0.74 -0.17 0.00 -0.94 0.00 0.00 39.48 38.00 3liy n PHE 80 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3liy s ARG 81 N -0.97 2.11 0.21 -1.08 1.81 -1.01 -5.00 118.95 115.01 3liy s ARG 81 Ca 0.00 -0.54 0.15 0.00 -1.72 0.00 0.00 55.73 53.61 3liy s ARG 81 Cb 0.00 -1.72 -0.01 0.00 -0.45 0.00 0.00 34.95 32.77 3liy s ARG 81 CO 0.00 0.02 1.28 1.79 -0.68 0.00 0.00 175.30 177.71 3liy h THR 82 N 5.92 0.87 -3.04 0.02 1.35 -1.95 -3.38 112.91 112.69 3liy h THR 82 Ca -0.29 -2.29 -0.58 0.00 -0.55 0.00 0.00 66.41 62.71 3liy h THR 82 Cb 1.19 2.38 -0.05 0.00 -1.73 0.00 0.00 68.15 69.94 3liy h THR 82 CO 0.48 0.49 0.82 -0.89 -0.25 0.00 0.00 175.52 176.17 3liy s THR 83 N -2.93 4.58 0.29 6.82 2.01 -1.26 -5.01 115.64 120.14 3liy s THR 83 Ca 0.02 1.90 -0.14 0.00 0.31 0.00 0.00 61.69 63.78 3liy s THR 83 Cb 0.08 -4.23 -0.08 0.00 0.01 0.00 0.00 72.50 68.28 3liy s THR 83 CO 0.77 -0.16 0.69 -2.16 -0.69 0.00 0.00 174.62 173.06 3liy s PRO 84 N 3.23 3.97 0.18 4.92 0.04 -1.26 -4.80 135.00 141.28 3liy s PRO 84 Ca 0.47 0.59 -0.31 0.00 0.04 0.00 0.00 61.00 61.79 3liy s PRO 84 Cb -0.17 -2.53 -0.09 0.00 0.04 0.00 0.00 34.50 31.75 3liy s PRO 84 CO 0.09 0.22 1.42 0.42 0.04 0.00 0.00 177.00 179.19 3liy s ILE 85 N -1.90 2.96 -0.24 0.56 1.01 0.41 -4.87 121.20 119.12 3liy s ILE 85 Ca 0.51 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.90 3liy s ILE 85 Cb -0.11 -3.47 0.04 0.00 0.01 0.00 0.00 42.46 38.92 3liy s ILE 85 CO 0.19 0.09 -0.10 -0.69 0.00 0.00 0.00 174.94 174.43 3liy s VAL 86 N 0.56 2.53 -0.24 2.92 1.01 -1.26 -1.31 120.40 124.60 3liy s VAL 86 Ca 0.62 -1.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 3liy s VAL 86 Cb -0.40 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 3liy s VAL 86 CO 0.36 0.18 0.14 -0.76 0.00 0.00 0.00 175.10 175.01 3liy s LEU 87 N 1.25 3.93 0.22 3.92 1.43 -0.07 -4.97 118.68 124.40 3liy s LEU 87 Ca -0.02 0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 53.02 3liy s LEU 87 Cb -0.17 -2.06 0.19 0.00 0.03 0.00 0.00 46.19 44.18 3liy s LEU 87 CO -0.06 0.04 1.88 0.74 0.23 0.00 0.00 176.35 179.18 3liy h THR 88 N 5.16 1.18 -3.61 5.49 2.02 -1.94 -0.81 112.91 120.40 3liy h THR 88 Ca -0.37 -0.36 -0.06 0.00 0.77 0.00 0.00 66.41 66.39 3liy h THR 88 Cb 1.17 0.04 -0.11 0.00 -1.74 0.00 0.00 68.15 67.51 3liy h THR 88 CO 0.63 0.19 -0.16 -0.55 0.37 0.00 0.00 175.52 175.99 3liy s SER 89 N -5.89 -0.09 0.34 4.18 0.15 -1.26 -3.54 113.70 107.59 3liy s SER 89 Ca -0.13 -0.68 -0.11 0.00 0.70 0.00 0.00 55.95 55.73 3liy s SER 89 Cb 0.16 0.50 0.03 0.00 -1.71 0.00 0.00 66.02 64.99 3liy s SER 89 CO 0.78 -0.96 0.63 0.00 1.20 0.00 0.00 173.24 174.90 3liy s LEU 91 N -3.11 3.96 -0.14 0.00 1.43 -0.33 -1.63 118.68 118.87 3liy s LEU 91 Ca 0.21 1.35 0.01 0.00 -1.03 0.00 0.00 54.13 54.67 3liy s LEU 91 Cb -0.03 -4.19 0.02 0.00 0.03 0.00 0.00 46.19 42.02 3liy s LEU 91 CO 0.14 -0.30 -0.15 -0.69 0.23 0.00 0.00 176.35 175.58 3liy s VAL 92 N -2.15 1.57 -0.57 -1.59 1.01 0.71 -0.98 120.40 118.41 3liy s VAL 92 Ca 0.55 -0.65 -0.25 0.00 0.00 0.00 0.00 61.98 61.63 3liy s VAL 92 Cb -0.10 -1.46 0.04 0.00 0.00 0.00 0.00 36.38 34.86 3liy s VAL 92 CO 0.20 0.46 1.03 -0.62 0.00 0.00 0.00 175.10 176.17 3liy s ASP 93 N 1.32 6.36 0.02 3.32 2.15 -0.24 -1.46 116.67 128.14 3liy s ASP 93 Ca 0.01 -0.23 0.14 0.00 0.43 0.00 0.00 52.55 52.90 3liy s ASP 93 Cb -0.13 -2.47 0.58 0.00 -0.30 0.00 0.00 42.92 40.59 3liy s ASP 93 CO -0.08 -1.32 1.43 0.35 -0.17 0.00 0.00 175.17 175.38 3liy n THR 94 N 6.34 1.09 1.09 1.71 -2.24 -0.47 -1.40 114.28 120.40 3liy n THR 94 Ca 0.04 0.28 0.12 0.00 -2.27 0.00 0.00 64.05 62.21 3liy n THR 94 Cb 0.48 -1.07 0.13 0.00 -2.10 0.00 0.00 70.33 67.77 3liy n THR 94 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3liy n LYS 95 N -1.55 0.97 -2.63 -0.78 4.76 -1.26 -4.89 118.16 112.78 3liy n LYS 95 Ca 0.03 -0.73 -0.20 0.00 -2.87 0.00 0.00 58.31 54.53 3liy n LYS 95 Cb 0.15 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 3liy n LYS 95 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3liy n ASN 96 N -0.38 -5.67 -0.02 4.39 3.02 -0.89 -4.90 115.26 110.82 3liy n ASN 96 Ca 0.10 -0.09 -0.09 0.00 -0.03 0.00 0.00 54.58 54.47 3liy n ASN 96 Cb 0.41 -4.68 -0.14 0.00 -0.61 0.00 0.00 39.78 34.76 3liy n ASN 96 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3liy h ASN 97 N -0.45 0.01 -4.35 6.41 -0.26 -1.94 -3.49 115.58 111.51 3liy h ASN 97 Ca -0.48 -0.03 -0.65 0.00 -0.56 0.00 0.00 56.30 54.58 3liy h ASN 97 Cb 1.35 -0.00 -0.30 0.00 -1.06 0.00 0.00 38.32 38.30 3liy h ASN 97 CO 0.55 1.02 -0.87 0.26 -1.06 0.00 0.00 177.43 177.34 3liy s TRP 98 N -2.60 2.12 -0.20 1.19 0.52 -1.26 -5.08 118.94 113.63 3liy s TRP 98 Ca -0.05 -0.47 -0.02 0.00 0.02 0.00 0.00 56.10 55.58 3liy s TRP 98 Cb 0.08 -1.38 0.06 0.00 -1.15 0.00 0.00 33.47 31.08 3liy s TRP 98 CO 0.82 -0.09 0.01 0.00 0.02 0.00 0.00 176.95 177.72 3liy s ALA 99 N -0.41 1.23 -0.08 0.98 0.00 -1.26 -3.02 121.76 119.20 3liy s ALA 99 Ca 0.05 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.17 3liy s ALA 99 Cb -0.10 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.80 3liy s ALA 99 CO 0.00 -1.17 -0.09 0.42 0.00 0.00 0.00 175.76 174.92 3liy s ILE 100 N 1.75 1.01 -0.47 0.00 1.01 -0.15 -1.06 121.20 123.28 3liy s ILE 100 Ca -0.02 -0.34 -0.22 0.00 0.00 0.00 0.00 60.65 60.07 3liy s ILE 100 Cb -0.17 -0.98 0.03 0.00 0.01 0.00 0.00 42.46 41.35 3liy s ILE 100 CO -0.07 0.34 0.75 -0.63 0.00 0.00 0.00 174.94 175.33 3liy s ILE 101 N 1.18 4.69 0.26 2.92 -1.09 0.94 -0.78 121.20 129.31 3liy s ILE 101 Ca -0.05 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 3liy s ILE 101 Cb -0.14 -4.32 0.05 0.00 -1.58 0.00 0.00 42.46 36.46 3liy s ILE 101 CO -0.02 -0.77 0.35 0.61 -1.23 0.00 0.00 174.94 173.88 3liy n GLY 102 N 5.05 0.87 0.20 6.18 0.00 -1.26 -1.23 105.19 115.01 3liy n GLY 102 Ca -0.00 -2.00 0.07 0.00 0.00 0.00 0.00 46.02 44.09 3liy n GLY 102 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3liy h ARG 103 N 0.00 0.00 -0.44 1.61 3.08 -1.21 -1.32 114.38 116.10 3liy h ARG 103 Ca -0.12 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.02 3liy h ARG 103 Cb 0.44 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.42 3liy h ARG 103 CO 0.13 0.31 -0.01 0.38 -1.07 0.00 0.00 179.97 179.70 3liy h ASP 104 N 0.00 -0.21 -0.07 7.04 2.03 -1.80 0.63 116.42 124.03 3liy h ASP 104 Ca -0.00 0.11 -0.13 0.00 -0.73 0.00 0.00 57.03 56.27 3liy h ASP 104 Cb 0.85 0.20 0.01 0.00 -0.83 0.00 0.00 39.33 39.55 3liy h ASP 104 CO 0.04 -0.07 -0.48 0.00 -1.03 0.00 0.00 179.24 177.70 3liy h ALA 105 N 1.40 0.15 -0.19 4.15 0.00 -1.77 -3.23 119.26 119.77 3liy h ALA 105 Ca 0.22 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3liy h ALA 105 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3liy h ALA 105 CO -0.38 0.33 0.09 -0.07 0.00 0.00 0.00 179.25 179.22 3liy h LEU 106 N -0.00 0.23 -0.76 0.00 3.38 -1.13 -2.06 115.31 114.97 3liy h LEU 106 Ca -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3liy h LEU 106 Cb 1.14 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 3liy h LEU 106 CO 0.10 0.20 0.38 -0.61 0.09 0.00 0.00 178.44 178.60 3liy h GLN 107 N 0.27 1.09 0.00 1.13 4.15 -0.90 0.21 115.11 121.05 3liy h GLN 107 Ca 0.07 -0.15 -0.07 0.00 0.77 0.00 0.00 58.65 59.27 3liy h GLN 107 Cb 0.03 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 3liy h GLN 107 CO -0.01 0.84 -0.31 1.96 -1.93 0.00 0.00 178.83 179.38 3liy h GLN 108 N 1.07 0.00 0.00 1.69 4.20 -1.41 -2.34 115.11 118.32 3liy h GLN 108 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3liy h GLN 108 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3liy h GLN 108 CO -0.04 0.31 0.00 0.00 -0.67 0.00 0.00 178.83 178.44 3liy n GLN 110 N -2.38 -5.80 -2.49 0.00 6.02 -0.88 -4.97 117.38 106.89 3liy n GLN 110 Ca 0.03 0.83 -0.36 0.00 -0.01 0.00 0.00 57.00 57.48 3liy n GLN 110 Cb 0.28 -5.74 -0.03 0.00 1.02 0.00 0.00 30.24 25.76 3liy n GLN 110 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3liy s GLY 111 N -2.94 2.67 0.07 1.08 0.00 0.02 -5.03 107.32 103.17 3liy s GLY 111 Ca 0.43 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.86 3liy s GLY 111 CO 0.53 1.11 -0.04 -1.34 0.00 0.00 0.00 173.10 173.36 3liy s VAL 112 N -1.74 0.39 0.07 1.40 -7.23 -1.26 -4.76 120.40 107.27 3liy s VAL 112 Ca 0.62 -1.85 -0.09 0.00 -1.81 0.00 0.00 61.98 58.86 3liy s VAL 112 Cb -0.21 -1.57 -0.06 0.00 0.56 0.00 0.00 36.38 35.10 3liy s VAL 112 CO 0.26 -0.95 0.37 -0.76 -0.31 0.00 0.00 175.10 173.72 3liy s LEU 113 N -2.95 4.35 -0.10 1.32 1.43 -1.26 -5.10 118.68 116.36 3liy s LEU 113 Ca 0.09 0.73 -0.00 0.00 -1.03 0.00 0.00 54.13 53.91 3liy s LEU 113 Cb 0.07 -2.94 0.02 0.00 0.03 0.00 0.00 46.19 43.37 3liy s LEU 113 CO -0.08 0.18 -0.07 -0.47 0.23 0.00 0.00 176.35 176.14 3liy s TYR 114 N -1.39 1.40 -0.28 0.29 5.04 -1.26 -5.10 117.35 116.04 3liy s TYR 114 Ca 0.32 -0.67 -0.04 0.00 -2.44 0.00 0.00 57.07 54.25 3liy s TYR 114 Cb -0.14 -1.17 0.02 0.00 0.35 0.00 0.00 41.96 41.02 3liy s TYR 114 CO 0.18 -0.47 0.01 -0.51 -1.34 0.00 0.00 175.55 173.42 3liy s LEU 115 N 1.63 3.62 0.00 6.97 1.43 -1.26 -5.16 118.68 125.92 3liy s LEU 115 Ca 0.03 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.25 3liy s LEU 115 Cb -0.13 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.32 3liy s LEU 115 CO -0.07 -0.18 0.36 -2.65 0.23 0.00 0.00 176.35 174.04