#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 4.42 -0.26 0.52 1.01 -1.26 -5.07 120.40 119.76 3liy s VAL 2 Ca 0.00 2.00 0.02 0.00 0.00 0.00 0.00 61.98 64.00 3liy s VAL 2 Cb 0.00 -4.29 0.07 0.00 0.00 0.00 0.00 36.38 32.16 3liy s VAL 2 CO 0.00 0.38 -0.04 -0.63 0.00 0.00 0.00 175.10 174.81 3liy s ILE 3 N -0.36 1.78 0.59 2.22 1.01 -1.26 -5.12 121.20 120.06 3liy s ILE 3 Ca 0.44 -1.52 -0.18 0.00 0.00 0.00 0.00 60.65 59.38 3liy s ILE 3 Cb -0.24 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 3liy s ILE 3 CO 0.29 -0.20 1.13 -2.84 0.00 0.00 0.00 174.94 173.33 3liy s PRO 4 N 1.25 3.11 -0.19 2.79 0.02 -1.26 -5.01 135.00 135.71 3liy s PRO 4 Ca -0.03 1.57 -0.04 0.00 0.02 0.00 0.00 61.00 62.53 3liy s PRO 4 Cb -0.19 -1.98 -0.02 0.00 0.02 0.00 0.00 34.50 32.34 3liy s PRO 4 CO -0.07 -1.04 -0.04 -0.51 -0.33 0.00 0.00 177.00 175.00 3liy s LEU 5 N -4.20 3.04 -0.10 -5.54 1.43 -1.26 -4.88 118.68 107.18 3liy s LEU 5 Ca 0.72 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 53.50 3liy s LEU 5 Cb -0.24 -1.75 0.05 0.00 0.03 0.00 0.00 46.19 44.28 3liy s LEU 5 CO 0.33 0.07 0.21 -0.62 0.23 0.00 0.00 176.35 176.57 3liy s ASP 6 N 0.92 0.14 0.53 2.29 -1.08 -1.26 -5.04 116.67 113.17 3liy s ASP 6 Ca -0.00 0.46 0.18 0.00 -0.52 0.00 0.00 52.55 52.67 3liy s ASP 6 Cb -0.15 0.42 1.32 0.00 -1.46 0.00 0.00 42.92 43.05 3liy s ASP 6 CO 0.01 -0.20 2.13 1.55 0.52 0.00 0.00 175.17 179.18 3liy h PRO 7 N 7.75 0.00 0.00 4.34 0.13 -2.03 -2.71 132.00 139.48 3liy h PRO 7 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3liy h PRO 7 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3liy h PRO 7 CO 0.27 0.00 -0.24 0.00 -0.23 0.00 0.00 178.00 177.80 3liy n ALA 8 N -2.54 2.54 -3.64 -0.56 0.00 -1.26 -4.67 120.51 110.38 3liy n ALA 8 Ca -0.01 -0.11 -0.28 0.00 0.00 0.00 0.00 53.44 53.04 3liy n ALA 8 Cb 0.17 -1.35 -0.16 0.00 0.00 0.00 0.00 19.45 18.11 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 -3.12 0.32 0.41 0.00 0.52 -1.02 -5.13 118.95 110.93 3liy s ARG 9 Ca 0.09 -0.39 -0.26 0.00 -0.52 0.00 0.00 55.73 54.65 3liy s ARG 9 Cb 0.13 -1.76 -0.09 0.00 0.52 0.00 0.00 34.95 33.76 3liy s ARG 9 CO 0.64 -0.78 1.30 1.03 0.02 0.00 0.00 175.30 177.51 3liy s ARG 10 N 2.00 3.96 -1.06 3.54 0.52 -1.26 -4.32 118.95 122.33 3liy s ARG 10 Ca 0.04 2.14 -0.22 0.00 -0.52 0.00 0.00 55.73 57.17 3liy s ARG 10 Cb -0.16 -2.75 0.06 0.00 0.52 0.00 0.00 34.95 32.62 3liy s ARG 10 CO -0.17 -0.49 1.47 -1.25 0.02 0.00 0.00 175.30 174.87 3liy s PRO 11 N -2.25 3.67 0.07 3.54 0.04 -1.26 -4.96 135.00 133.85 3liy s PRO 11 Ca 0.57 -1.35 0.06 0.00 0.04 0.00 0.00 61.00 60.32 3liy s PRO 11 Cb -0.38 -5.34 -0.04 0.00 0.04 0.00 0.00 34.50 28.78 3liy s PRO 11 CO 0.48 -2.17 -0.10 0.14 0.04 0.00 0.00 177.00 175.40 3liy s VAL 12 N 4.58 3.40 0.05 -0.36 -7.23 -1.26 -0.49 120.40 119.10 3liy s VAL 12 Ca 0.46 -1.13 0.04 0.00 -1.81 0.00 0.00 61.98 59.54 3liy s VAL 12 Cb 0.00 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 3liy s VAL 12 CO -0.07 0.20 -0.11 -0.51 -0.31 0.00 0.00 175.10 174.30 3liy s ILE 13 N -1.14 0.86 0.07 -0.62 2.07 -0.20 -4.94 121.20 117.31 3liy s ILE 13 Ca 0.20 -1.11 -0.30 0.00 -1.41 0.00 0.00 60.65 58.03 3liy s ILE 13 Cb -0.11 -0.84 -0.05 0.00 0.13 0.00 0.00 42.46 41.58 3liy s ILE 13 CO 0.12 -0.22 1.06 -0.54 -1.91 0.00 0.00 174.94 173.44 3liy s LYS 14 N -1.48 4.56 -0.03 3.50 1.02 -1.26 -0.97 119.74 125.08 3liy s LYS 14 Ca -0.04 1.58 0.01 0.00 0.02 0.00 0.00 55.97 57.54 3liy s LYS 14 Cb -0.09 -3.38 0.01 0.00 -0.52 0.00 0.00 37.83 33.85 3liy s LYS 14 CO 0.01 -0.03 -0.05 0.00 -0.92 0.00 0.00 175.35 174.36 3liy s ALA 15 N 0.58 0.58 -0.31 5.17 0.00 0.05 -4.04 121.76 123.79 3liy s ALA 15 Ca 0.52 -0.12 -0.22 0.00 0.00 0.00 0.00 51.96 52.14 3liy s ALA 15 Cb -0.25 -0.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 3liy s ALA 15 CO 0.30 0.05 0.73 -1.14 0.00 0.00 0.00 175.76 175.70 3liy s GLN 16 N 0.47 3.90 -0.22 0.00 0.74 -0.25 -0.74 119.66 123.55 3liy s GLN 16 Ca -0.06 0.44 -0.05 0.00 0.05 0.00 0.00 55.36 55.73 3liy s GLN 16 Cb -0.09 -3.74 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 3liy s GLN 16 CO -0.00 -0.67 0.01 0.08 -0.55 0.00 0.00 175.29 174.16 3liy s VAL 17 N 2.85 3.90 -0.38 1.34 1.01 0.43 -0.68 120.40 128.87 3liy s VAL 17 Ca 0.30 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 3liy s VAL 17 Cb -0.14 -2.79 0.06 0.00 0.00 0.00 0.00 36.38 33.50 3liy s VAL 17 CO 0.13 0.40 0.19 -0.62 0.00 0.00 0.00 175.10 175.20 3liy s ASP 18 N 1.35 5.53 0.00 3.32 2.15 0.47 -1.59 116.67 127.90 3liy s ASP 18 Ca 0.04 -1.30 0.29 0.00 0.43 0.00 0.00 52.55 52.02 3liy s ASP 18 Cb -0.15 -1.94 1.35 0.00 -0.30 0.00 0.00 42.92 41.88 3liy s ASP 18 CO 0.01 -0.43 1.97 0.35 -0.17 0.00 0.00 175.17 176.90 3liy n THR 19 N 4.88 0.04 -1.07 1.71 -2.24 -1.26 -1.54 114.28 114.80 3liy n THR 19 Ca -0.11 0.01 -0.02 0.00 -2.27 0.00 0.00 64.05 61.66 3liy n THR 19 Cb 0.44 -0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.39 -1.42 0.00 -0.78 6.02 -1.26 -4.80 117.38 113.74 3liy n GLN 20 Ca 0.10 0.48 0.02 0.00 -0.01 0.00 0.00 57.00 57.59 3liy n GLN 20 Cb 0.28 -4.60 -0.01 0.00 1.02 0.00 0.00 30.24 26.94 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 -2.30 0.00 -3.74 5.09 -2.24 -1.26 -5.06 114.28 104.77 3liy n THR 21 Ca -0.02 -0.44 -0.09 0.00 -2.27 0.00 0.00 64.05 61.23 3liy n THR 21 Cb 0.39 1.03 0.02 0.00 -2.10 0.00 0.00 70.33 69.67 3liy n THR 21 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3liy n SER 22 N -0.68 -1.86 -4.81 3.42 3.41 -1.26 -4.42 113.62 107.41 3liy n SER 22 Ca 0.01 -2.43 -0.31 0.00 -0.26 0.00 0.00 58.87 55.89 3liy n SER 22 Cb 0.07 3.14 0.06 0.00 -0.26 0.00 0.00 64.21 67.22 3liy n SER 22 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3liy s HIS 23 N -3.10 3.01 0.54 7.33 0.00 -1.26 -4.60 115.29 117.21 3liy s HIS 23 Ca 0.16 1.36 -0.21 0.00 -3.00 0.00 0.00 55.06 53.38 3liy s HIS 23 Cb -0.04 -2.95 -0.05 0.00 -4.00 0.00 0.00 32.58 25.54 3liy s HIS 23 CO 0.12 -1.40 1.21 -2.14 -1.00 0.00 0.00 174.74 171.53 3liy s PRO 24 N -5.06 3.28 0.03 -0.38 0.02 -1.26 -4.82 135.00 126.81 3liy s PRO 24 Ca 0.59 1.86 0.03 0.00 0.02 0.00 0.00 61.00 63.50 3liy s PRO 24 Cb -0.14 -2.13 -0.02 0.00 0.02 0.00 0.00 34.50 32.23 3liy s PRO 24 CO 0.55 -0.97 -0.10 0.15 -0.33 0.00 0.00 177.00 176.30 3liy s LYS 25 N -3.07 0.70 -0.09 5.54 1.02 -0.62 -4.93 119.74 118.29 3liy s LYS 25 Ca 0.72 -0.63 -0.28 0.00 0.02 0.00 0.00 55.97 55.80 3liy s LYS 25 Cb -0.31 -0.63 -0.02 0.00 -0.52 0.00 0.00 37.83 36.35 3liy s LYS 25 CO 0.35 0.15 0.93 0.99 -0.92 0.00 0.00 175.35 176.86 3liy s THR 26 N -0.85 4.85 0.29 2.17 2.01 -1.26 -0.43 115.64 122.42 3liy s THR 26 Ca -0.02 1.90 0.06 0.00 0.31 0.00 0.00 61.69 63.94 3liy s THR 26 Cb -0.07 -4.25 -0.06 0.00 0.01 0.00 0.00 72.50 68.13 3liy s THR 26 CO 0.01 0.07 -0.03 0.27 -0.69 0.00 0.00 174.62 174.24 3liy s ILE 27 N 1.69 1.55 -0.25 1.82 -4.36 0.08 -4.96 121.20 116.76 3liy s ILE 27 Ca 0.46 -2.09 -0.10 0.00 -0.26 0.00 0.00 60.65 58.66 3liy s ILE 27 Cb -0.18 -2.51 -0.05 0.00 1.25 0.00 0.00 42.46 40.97 3liy s ILE 27 CO 0.19 -0.25 0.15 -0.70 0.24 0.00 0.00 174.94 174.57 3liy s GLU 28 N -3.76 3.93 0.02 0.37 2.12 -1.26 -0.77 118.70 119.35 3liy s GLU 28 Ca 0.31 -0.34 0.08 0.00 0.36 0.00 0.00 54.97 55.38 3liy s GLU 28 Cb 0.05 -3.53 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 3liy s GLU 28 CO 0.12 -0.08 -0.24 0.00 -0.54 0.00 0.00 175.26 174.53 3liy s ALA 29 N 1.42 2.02 -0.04 6.30 0.00 -0.15 -4.70 121.76 126.62 3liy s ALA 29 Ca 0.07 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.60 3liy s ALA 29 Cb -0.15 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 3liy s ALA 29 CO 0.07 0.48 1.00 -1.17 0.00 0.00 0.00 175.76 176.14 3liy s LEU 30 N -0.98 4.33 -0.35 0.00 2.96 -0.28 -1.03 118.68 123.32 3liy s LEU 30 Ca 0.10 1.63 -0.27 0.00 -0.22 0.00 0.00 54.13 55.37 3liy s LEU 30 Cb -0.09 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.05 3liy s LEU 30 CO 0.01 -0.34 0.97 -0.76 -1.32 0.00 0.00 176.35 174.91 3liy s LEU 31 N 1.38 3.97 -0.32 -0.68 2.01 0.36 -0.07 118.68 125.33 3liy s LEU 31 Ca 0.51 0.74 0.01 0.00 0.01 0.00 0.00 54.13 55.40 3liy s LEU 31 Cb -0.20 -3.35 0.10 0.00 0.01 0.00 0.00 46.19 42.75 3liy s LEU 31 CO 0.24 -0.86 0.08 -0.62 1.01 0.00 0.00 176.35 176.20 3liy s ASP 32 N 1.80 4.37 0.12 2.29 -1.08 -0.52 -4.82 116.67 118.83 3liy s ASP 32 Ca 0.40 -1.88 0.14 0.00 -0.52 0.00 0.00 52.55 50.69 3liy s ASP 32 Cb -0.12 -1.21 0.64 0.00 -1.46 0.00 0.00 42.92 40.77 3liy s ASP 32 CO 0.18 -0.40 1.43 0.35 0.52 0.00 0.00 175.17 177.25 3liy n THR 33 N 4.57 1.25 -0.39 1.71 -2.24 -1.26 -1.87 114.28 116.05 3liy n THR 33 Ca 0.01 0.41 0.10 0.00 -2.27 0.00 0.00 64.05 62.30 3liy n THR 33 Cb 0.42 -1.32 0.33 0.00 -2.10 0.00 0.00 70.33 67.66 3liy n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3liy n GLY 34 N -0.67 2.46 3.37 3.38 0.00 -1.26 -4.83 105.19 107.64 3liy n GLY 34 Ca 0.01 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.49 2.94 0.35 4.61 0.00 -0.78 -4.97 121.76 122.43 3liy s ALA 35 Ca 0.48 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 51.34 3liy s ALA 35 Cb 0.28 -1.81 0.65 0.00 0.00 0.00 0.00 23.12 22.24 3liy s ALA 35 CO 0.28 -0.40 1.97 -0.44 0.00 0.00 0.00 175.76 177.17 3liy h ASP 36 N 8.05 0.64 -4.82 0.00 3.32 -1.88 -0.37 116.42 121.36 3liy h ASP 36 Ca -0.40 -0.05 -0.17 0.00 0.02 0.00 0.00 57.03 56.44 3liy h ASP 36 Cb 1.17 -0.16 -0.22 0.00 0.22 0.00 0.00 39.33 40.34 3liy h ASP 36 CO 0.60 0.52 -0.65 -0.32 -1.72 0.00 0.00 179.24 177.66 3liy s MET 37 N -5.48 0.31 0.48 3.56 1.75 -1.26 -3.69 119.30 114.97 3liy s MET 37 Ca -0.09 -0.48 -0.22 0.00 -1.25 0.00 0.00 55.69 53.65 3liy s MET 37 Cb 0.17 0.12 -0.07 0.00 2.84 0.00 0.00 34.83 37.88 3liy s MET 37 CO 0.76 -0.06 1.11 0.99 -0.65 0.00 0.00 175.02 177.18 3liy s THR 38 N -1.25 3.34 -0.07 10.11 2.01 -1.26 -4.40 115.64 124.12 3liy s THR 38 Ca -0.14 0.93 0.03 0.00 0.31 0.00 0.00 61.69 62.82 3liy s THR 38 Cb -0.08 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 69.01 3liy s THR 38 CO -0.00 -0.09 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.98 3liy s VAL 39 N -1.71 1.45 0.13 3.82 1.01 -0.27 -1.13 120.40 123.70 3liy s VAL 39 Ca 0.66 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 62.03 3liy s VAL 39 Cb -0.24 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3liy s VAL 39 CO 0.29 0.42 -0.16 0.27 0.00 0.00 0.00 175.10 175.92 3liy s ILE 40 N 0.42 1.50 0.34 2.22 -4.36 -0.03 -0.95 121.20 120.34 3liy s ILE 40 Ca -0.13 -1.73 -0.27 0.00 -0.26 0.00 0.00 60.65 58.26 3liy s ILE 40 Cb -0.15 -1.60 -0.09 0.00 1.25 0.00 0.00 42.46 41.87 3liy s ILE 40 CO 0.05 -0.34 1.15 -2.84 0.24 0.00 0.00 174.94 173.20 3liy s PRO 41 N -2.57 4.35 0.61 0.37 0.02 -1.23 -1.31 135.00 135.25 3liy s PRO 41 Ca 0.10 1.84 0.32 0.00 0.02 0.00 0.00 61.00 63.28 3liy s PRO 41 Cb -0.06 -2.93 1.86 0.00 0.02 0.00 0.00 34.50 33.39 3liy s PRO 41 CO 0.04 -0.06 2.18 0.97 -0.33 0.00 0.00 177.00 179.80 3liy h ILE 42 N 2.73 0.35 0.00 2.83 2.10 -1.62 -1.82 117.51 122.08 3liy h ILE 42 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.46 3liy h ILE 42 Cb 1.22 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 37.85 3liy h ILE 42 CO 0.65 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.72 3liy h ALA 43 N 1.84 1.00 0.00 0.18 0.00 -1.90 -0.05 119.26 120.33 3liy h ALA 43 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3liy h ALA 43 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3liy h ALA 43 CO -0.00 0.00 -0.47 -0.07 0.00 0.00 0.00 179.25 178.71 3liy h LEU 44 N 0.00 0.00-10.22 0.00 3.38 -1.71 -3.47 115.31 103.29 3liy h LEU 44 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3liy h LEU 44 Cb 0.10 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.86 3liy h LEU 44 CO 0.00 0.47 0.05 -0.36 0.09 0.00 0.00 178.44 178.69 3liy s PHE 45 N -3.86 3.52 0.15 1.13 0.40 -0.03 -4.73 117.98 114.55 3liy s PHE 45 Ca -0.02 0.82 -0.31 0.00 -0.60 0.00 0.00 56.93 56.82 3liy s PHE 45 Cb 0.13 -2.28 -0.10 0.00 0.51 0.00 0.00 43.02 41.28 3liy s PHE 45 CO 0.73 -0.12 1.71 0.45 0.70 0.00 0.00 175.22 178.69 3liy s SER 46 N -3.66 6.47 0.65 1.36 0.15 -1.26 -4.88 113.70 112.53 3liy s SER 46 Ca 0.47 2.72 0.08 0.00 0.70 0.00 0.00 55.95 59.92 3liy s SER 46 Cb -0.10 -2.58 0.33 0.00 -1.71 0.00 0.00 66.02 61.95 3liy s SER 46 CO 0.38 -0.94 1.14 0.28 1.20 0.00 0.00 173.24 175.30 3liy h SER 47 N 7.64 0.00 1.33 5.45 0.02 -1.95 0.16 113.55 126.19 3liy h SER 47 Ca -0.44 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.47 3liy h SER 47 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 3liy h SER 47 CO 0.94 0.00 -0.69 0.78 -1.14 0.00 0.00 176.83 176.72 3liy h ASN 48 N 0.00 0.00 -2.93 3.07 4.21 -1.98 -3.49 115.58 114.46 3liy h ASN 48 Ca 0.10 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 57.08 3liy h ASN 48 Cb 2.06 0.00 0.07 0.00 -1.12 0.00 0.00 38.32 39.33 3liy h ASN 48 CO -0.00 0.17 0.97 0.41 -1.29 0.00 0.00 177.43 177.68 3liy n THR 49 N -2.92 0.43 -2.04 2.81 -1.04 0.54 -4.95 114.28 107.11 3liy n THR 49 Ca -0.00 -0.11 -0.43 0.00 -2.04 0.00 0.00 64.05 61.47 3liy n THR 49 Cb 0.62 -2.00 -0.03 0.00 -1.82 0.00 0.00 70.33 67.11 3liy n THR 49 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3liy s PRO 50 N 0.48 3.50 -0.08 -2.82 0.02 -1.26 -5.02 135.00 129.82 3liy s PRO 50 Ca 0.70 1.50 0.03 0.00 0.02 0.00 0.00 61.00 63.25 3liy s PRO 50 Cb -0.50 -4.14 0.01 0.00 0.02 0.00 0.00 34.50 29.89 3liy s PRO 50 CO 0.39 -1.66 -0.16 -0.51 -0.33 0.00 0.00 177.00 174.73 3liy s LEU 51 N 6.27 1.78 0.35 -5.54 1.43 -1.26 -4.11 118.68 117.60 3liy s LEU 51 Ca 0.77 -0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 53.22 3liy s LEU 51 Cb -0.23 -1.03 -0.09 0.00 0.03 0.00 0.00 46.19 44.86 3liy s LEU 51 CO 0.33 0.07 1.04 -0.54 0.23 0.00 0.00 176.35 177.47 3liy s LYS 52 N 0.62 4.38 0.53 1.70 1.02 -0.29 -4.80 119.74 122.91 3liy s LYS 52 Ca -0.15 1.56 -0.20 0.00 0.02 0.00 0.00 55.97 57.20 3liy s LYS 52 Cb -0.16 -2.77 -0.06 0.00 -0.52 0.00 0.00 37.83 34.32 3liy s LYS 52 CO 0.04 0.04 1.18 -0.80 -0.92 0.00 0.00 175.35 174.89 3liy s ASN 53 N -1.38 5.68 0.12 2.83 0.01 -1.26 0.26 114.94 121.20 3liy s ASN 53 Ca 0.53 2.31 -0.20 0.00 -0.71 0.00 0.00 52.86 54.79 3liy s ASN 53 Cb -0.24 -2.60 0.05 0.00 0.41 0.00 0.00 41.25 38.87 3liy s ASN 53 CO 0.31 -1.25 0.49 0.28 -1.51 0.00 0.00 177.10 175.41 3liy s THR 54 N -1.62 0.04 0.15 1.60 -1.32 -1.23 -4.71 115.64 108.54 3liy s THR 54 Ca 0.71 -0.32 -0.04 0.00 -1.21 0.00 0.00 61.69 60.83 3liy s THR 54 Cb -0.28 -1.08 -0.05 0.00 -1.51 0.00 0.00 72.50 69.58 3liy s THR 54 CO 0.32 -0.17 0.38 -0.44 -2.21 0.00 0.00 174.62 172.50 3liy s SER 55 N -2.65 6.48 -0.00 8.08 0.01 -1.26 -4.54 113.70 119.81 3liy s SER 55 Ca 0.01 0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.84 3liy s SER 55 Cb 0.00 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.16 3liy s SER 55 CO -0.11 0.04 -0.01 -0.69 0.41 0.00 0.00 173.24 172.89 3liy s VAL 56 N -1.68 0.08 -0.33 3.43 1.01 -0.52 -4.99 120.40 117.41 3liy s VAL 56 Ca 0.41 -0.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.23 3liy s VAL 56 Cb -0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 3liy s VAL 56 CO 0.25 0.04 0.34 -0.76 0.00 0.00 0.00 175.10 174.97 3liy s LEU 57 N 0.15 4.38 0.00 3.92 2.01 -1.26 -0.01 118.68 127.86 3liy s LEU 57 Ca -0.01 -0.18 0.00 0.00 0.01 0.00 0.00 54.13 53.95 3liy s LEU 57 Cb -0.03 -2.31 -0.00 0.00 0.01 0.00 0.00 46.19 43.86 3liy s LEU 57 CO -0.00 -0.29 0.00 0.61 1.01 0.00 0.00 176.35 177.67 3liy n GLY 58 N 4.95 3.95 0.20 -3.19 0.00 0.34 -4.98 105.19 106.47 3liy n GLY 58 Ca -0.10 -2.26 -0.02 0.00 0.00 0.00 0.00 46.02 43.64 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 1.11 0.59 -0.35 4.61 0.00 -2.02 -1.19 119.26 122.01 3liy h ALA 59 Ca -0.16 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3liy h ALA 59 Cb 0.49 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 3liy h ALA 59 CO 0.26 -0.27 0.16 0.41 0.00 0.00 0.00 179.25 179.81 3liy n GLY 60 N -1.28 2.66 0.00 0.00 0.00 -1.26 -5.02 105.19 100.29 3liy n GLY 60 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -1.45 3.68 -0.02 0.00 -0.45 -4.95 105.19 102.00 3liy n GLY 61 Ca 0.20 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 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 4.34 -0.13 1.61 0.74 -1.26 -0.50 119.66 124.46 3liy s GLN 62 Ca 0.00 1.04 -0.03 0.00 0.05 0.00 0.00 55.36 56.42 3liy s GLN 62 Cb 0.00 -3.54 -0.03 0.00 1.10 0.00 0.00 33.01 30.54 3liy s GLN 62 CO 0.00 -0.25 -0.04 -0.08 -0.55 0.00 0.00 175.29 174.38 3liy s THR 63 N 1.85 3.94 -0.13 -0.34 -1.32 0.98 -4.96 115.64 115.66 3liy s THR 63 Ca 0.39 -0.36 0.21 0.00 -1.21 0.00 0.00 61.69 60.73 3liy s THR 63 Cb -0.17 -2.70 -0.19 0.00 -1.51 0.00 0.00 72.50 67.94 3liy s THR 63 CO 0.15 0.53 0.69 0.00 -2.21 0.00 0.00 174.62 173.77 3liy n GLN 64 N 3.11 0.64 0.00 7.08 1.13 -1.26 -1.43 117.38 126.64 3liy n GLN 64 Ca -0.18 -0.01 0.01 0.00 -1.94 0.00 0.00 57.00 54.88 3liy n GLN 64 Cb 0.53 -1.67 -0.00 0.00 0.11 0.00 0.00 30.24 29.20 3liy n GLN 64 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3liy n ASP 65 N -2.54 0.22 0.10 1.08 5.75 -1.26 -4.53 116.55 115.38 3liy n ASP 65 Ca -0.06 -0.61 0.04 0.00 -0.01 0.00 0.00 54.79 54.15 3liy n ASP 65 Cb 0.65 0.84 -0.00 0.00 -1.03 0.00 0.00 41.12 41.58 3liy n ASP 65 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3liy h HIS 66 N 0.04 0.00 -4.13 2.11 3.86 -1.87 -3.47 115.15 111.69 3liy h HIS 66 Ca 0.00 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.63 3liy h HIS 66 Cb 0.03 0.00 -0.25 0.00 1.06 0.00 0.00 27.41 28.25 3liy h HIS 66 CO 0.00 0.40 -0.84 -0.06 0.86 0.00 0.00 177.93 178.29 3liy s PHE 67 N -3.04 1.83 0.39 2.45 0.40 -1.26 -0.63 117.98 118.12 3liy s PHE 67 Ca 0.01 -0.38 0.08 0.00 -0.60 0.00 0.00 56.93 56.03 3liy s PHE 67 Cb 0.08 -1.07 -0.07 0.00 0.51 0.00 0.00 43.02 42.47 3liy s PHE 67 CO 0.77 0.12 0.02 0.15 0.70 0.00 0.00 175.22 176.98 3liy s LYS 68 N -1.32 2.00 -0.09 0.44 -0.14 -0.01 -3.48 119.74 117.14 3liy s LYS 68 Ca 0.07 -1.98 0.01 0.00 -1.36 0.00 0.00 55.97 52.71 3liy s LYS 68 Cb -0.09 -1.75 -0.02 0.00 -1.68 0.00 0.00 37.83 34.28 3liy s LYS 68 CO 0.02 -0.00 -0.10 -1.17 -0.76 0.00 0.00 175.35 173.34 3liy s LEU 69 N -3.73 2.94 0.65 3.17 2.96 0.14 0.43 118.68 125.25 3liy s LEU 69 Ca 0.36 -0.16 -0.16 0.00 -0.22 0.00 0.00 54.13 53.95 3liy s LEU 69 Cb 0.06 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 45.11 3liy s LEU 69 CO 0.19 0.28 1.14 0.42 -1.32 0.00 0.00 176.35 177.06 3liy s THR 70 N -0.35 2.98 -0.13 3.68 -4.23 -0.59 -1.13 115.64 115.85 3liy s THR 70 Ca 0.04 0.49 -0.12 0.00 -1.18 0.00 0.00 61.69 60.92 3liy s THR 70 Cb -0.12 -3.05 -0.25 0.00 1.34 0.00 0.00 72.50 70.42 3liy s THR 70 CO 0.02 -0.24 0.38 0.28 -0.54 0.00 0.00 174.62 174.52 3liy h SER 71 N 0.20 0.32 -3.23 3.99 0.02 -1.92 -3.43 113.55 109.50 3liy h SER 71 Ca -0.48 -0.83 -0.53 0.00 -0.84 0.00 0.00 61.79 59.12 3liy h SER 71 Cb 1.26 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 3liy h SER 71 CO 0.54 1.72 -0.15 -0.76 -1.14 0.00 0.00 176.83 177.03 3liy s LEU 72 N -7.36 4.09 0.74 5.07 1.43 -1.26 -4.95 118.68 116.44 3liy s LEU 72 Ca -0.23 0.73 -0.16 0.00 -1.03 0.00 0.00 54.13 53.44 3liy s LEU 72 Cb 0.06 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.75 3liy s LEU 72 CO 0.73 -0.16 0.80 -2.65 0.23 0.00 0.00 176.35 175.31 3liy n PRO 73 N -0.74 0.37 -4.67 1.29 -0.02 -1.19 -4.74 135.00 125.30 3liy n PRO 73 Ca -0.01 0.18 -0.33 0.00 -2.02 0.00 0.00 63.50 61.31 3liy n PRO 73 Cb 0.53 -2.08 -0.13 0.00 -0.02 0.00 0.00 33.50 31.81 3liy n PRO 73 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3liy s VAL 74 N -1.90 3.43 -0.06 -1.45 1.01 -0.59 -4.64 120.40 116.21 3liy s VAL 74 Ca 0.70 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 3liy s VAL 74 Cb -0.34 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 3liy s VAL 74 CO 0.54 0.55 0.04 -0.76 0.00 0.00 0.00 175.10 175.47 3liy s LEU 75 N -0.18 3.78 -0.05 3.92 1.43 -0.59 -1.03 118.68 125.97 3liy s LEU 75 Ca 0.01 0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 53.28 3liy s LEU 75 Cb -0.13 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.10 3liy s LEU 75 CO 0.03 0.34 -0.01 -0.63 0.23 0.00 0.00 176.35 176.31 3liy s ILE 76 N -1.02 0.35 -0.15 -0.59 1.01 -0.17 -0.40 121.20 120.22 3liy s ILE 76 Ca 0.17 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.86 3liy s ILE 76 Cb -0.12 -0.46 -0.02 0.00 0.01 0.00 0.00 42.46 41.88 3liy s ILE 76 CO 0.07 0.22 -0.07 -0.13 0.00 0.00 0.00 174.94 175.02 3liy s ARG 77 N 1.45 3.54 0.34 2.79 0.52 0.14 -0.42 118.95 127.31 3liy s ARG 77 Ca -0.03 -0.59 0.02 0.00 -0.52 0.00 0.00 55.73 54.61 3liy s ARG 77 Cb -0.13 -2.81 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 3liy s ARG 77 CO -0.03 0.20 0.52 -0.51 0.02 0.00 0.00 175.30 175.50 3liy s LEU 78 N 0.44 4.01 0.21 2.53 1.43 -1.26 -1.09 118.68 124.95 3liy s LEU 78 Ca -0.06 0.28 -0.32 0.00 -1.03 0.00 0.00 54.13 52.99 3liy s LEU 78 Cb -0.15 -3.13 -0.13 0.00 0.03 0.00 0.00 46.19 42.81 3liy s LEU 78 CO 0.04 -0.33 1.65 -2.65 0.23 0.00 0.00 176.35 175.28 3liy n PRO 79 N -1.74 2.57 -0.52 1.29 -0.02 -1.26 -2.52 135.00 132.80 3liy n PRO 79 Ca -0.04 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3liy n PRO 79 Cb 0.57 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 3liy n PRO 79 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3liy n PHE 80 N 3.43 0.00 -4.33 6.00 3.72 -1.26 -4.99 117.46 120.03 3liy n PHE 80 Ca 0.15 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.21 3liy n PHE 80 Cb 0.33 -0.09 -0.14 0.00 -0.94 0.00 0.00 39.48 38.65 3liy n PHE 80 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3liy s ARG 81 N -0.04 3.45 0.12 -1.08 3.03 -1.05 -5.01 118.95 118.37 3liy s ARG 81 Ca 0.00 -0.62 0.02 0.00 2.03 0.00 0.00 55.73 57.16 3liy s ARG 81 Cb 0.00 -2.85 -0.19 0.00 -1.03 0.00 0.00 34.95 30.88 3liy s ARG 81 CO 0.00 0.05 1.26 1.15 -1.13 0.00 0.00 175.30 176.63 3liy h THR 82 N 5.47 1.59 -2.98 4.99 2.02 -1.94 -3.39 112.91 118.68 3liy h THR 82 Ca -0.34 -3.11 -0.57 0.00 0.77 0.00 0.00 66.41 63.16 3liy h THR 82 Cb 1.19 2.80 -0.05 0.00 -1.74 0.00 0.00 68.15 70.34 3liy h THR 82 CO 0.59 0.90 0.88 0.28 0.37 0.00 0.00 175.52 178.55 3liy s THR 83 N -2.81 4.37 0.44 3.16 -1.32 -1.26 -4.99 115.64 113.24 3liy s THR 83 Ca -0.02 1.65 -0.23 0.00 -1.21 0.00 0.00 61.69 61.88 3liy s THR 83 Cb 0.09 -4.09 -0.08 0.00 -1.51 0.00 0.00 72.50 66.90 3liy s THR 83 CO 0.84 -0.18 1.08 -2.16 -2.21 0.00 0.00 174.62 172.00 3liy s PRO 84 N 3.49 3.92 0.28 7.08 0.04 -1.26 -4.80 135.00 143.74 3liy s PRO 84 Ca 0.52 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.83 3liy s PRO 84 Cb -0.19 -2.38 -0.10 0.00 0.04 0.00 0.00 34.50 31.87 3liy s PRO 84 CO 0.13 -0.36 1.29 0.42 0.04 0.00 0.00 177.00 178.52 3liy s ILE 85 N -1.70 2.97 -0.21 0.56 1.01 0.44 -4.89 121.20 119.38 3liy s ILE 85 Ca 0.62 0.90 0.01 0.00 0.00 0.00 0.00 60.65 62.18 3liy s ILE 85 Cb -0.23 -3.57 0.05 0.00 0.01 0.00 0.00 42.46 38.72 3liy s ILE 85 CO 0.28 0.18 -0.08 -0.69 0.00 0.00 0.00 174.94 174.64 3liy s VAL 86 N -0.65 1.54 -0.21 2.92 1.01 -1.26 -1.00 120.40 122.75 3liy s VAL 86 Ca 0.52 -1.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 3liy s VAL 86 Cb -0.38 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 3liy s VAL 86 CO 0.46 0.06 0.14 -0.76 0.00 0.00 0.00 175.10 174.99 3liy s LEU 87 N 1.42 4.19 0.30 3.92 1.43 -0.20 -4.97 118.68 124.77 3liy s LEU 87 Ca -0.03 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 3liy s LEU 87 Cb -0.17 -2.10 0.47 0.00 0.03 0.00 0.00 46.19 44.42 3liy s LEU 87 CO -0.07 0.15 1.80 0.74 0.23 0.00 0.00 176.35 179.19 3liy h THR 88 N 4.75 1.23 -3.58 5.49 2.02 -1.93 -1.56 112.91 119.33 3liy h THR 88 Ca -0.40 -0.99 -0.08 0.00 0.77 0.00 0.00 66.41 65.70 3liy h THR 88 Cb 1.15 1.05 -0.15 0.00 -1.74 0.00 0.00 68.15 68.47 3liy h THR 88 CO 0.74 0.33 -0.28 -0.55 0.37 0.00 0.00 175.52 176.13 3liy s SER 89 N -6.73 -0.02 0.17 4.18 0.15 -1.26 -3.20 113.70 106.99 3liy s SER 89 Ca -0.08 -0.45 -0.15 0.00 0.70 0.00 0.00 55.95 55.97 3liy s SER 89 Cb 0.15 0.37 0.02 0.00 -1.71 0.00 0.00 66.02 64.84 3liy s SER 89 CO 0.79 -0.72 0.43 0.00 1.20 0.00 0.00 173.24 174.94 3liy s LEU 91 N -2.89 4.02 -0.15 0.00 1.43 -0.28 -1.55 118.68 119.26 3liy s LEU 91 Ca 0.10 1.82 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 3liy s LEU 91 Cb 0.01 -4.40 0.02 0.00 0.03 0.00 0.00 46.19 41.85 3liy s LEU 91 CO -0.04 -0.43 -0.13 -0.69 0.23 0.00 0.00 176.35 175.29 3liy s VAL 92 N -1.96 1.50 -0.48 -1.59 1.01 0.17 -0.85 120.40 118.20 3liy s VAL 92 Ca 0.61 -0.62 -0.26 0.00 0.00 0.00 0.00 61.98 61.70 3liy s VAL 92 Cb -0.14 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.83 3liy s VAL 92 CO 0.19 0.41 0.96 -0.62 0.00 0.00 0.00 175.10 176.04 3liy s ASP 93 N 1.51 6.49 0.44 3.32 2.15 -0.43 -0.83 116.67 129.33 3liy s ASP 93 Ca 0.04 0.10 0.30 0.00 0.43 0.00 0.00 52.55 53.43 3liy s ASP 93 Cb -0.13 -2.46 1.53 0.00 -0.30 0.00 0.00 42.92 41.55 3liy s ASP 93 CO -0.10 -1.11 1.92 0.71 -0.17 0.00 0.00 175.17 176.42 3liy h THR 94 N 6.10 0.00 -0.01 1.71 1.35 -1.21 -1.59 112.91 119.25 3liy h THR 94 Ca -0.24 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3liy h THR 94 Cb 1.07 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3liy h THR 94 CO 1.05 0.00 -0.21 0.29 -0.25 0.00 0.00 175.52 176.40 3liy n LYS 95 N -2.60 1.32 -3.95 4.72 5.02 -1.26 -4.86 118.16 116.54 3liy n LYS 95 Ca -0.01 -0.92 -0.32 0.00 -2.02 0.00 0.00 58.31 55.05 3liy n LYS 95 Cb 0.12 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3liy n LYS 95 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3liy n ASN 96 N -0.04 -3.99 -0.05 4.39 3.02 -1.02 -4.88 115.26 112.69 3liy n ASN 96 Ca 0.13 -0.81 -0.01 0.00 -0.03 0.00 0.00 54.58 53.87 3liy n ASN 96 Cb 0.41 -3.24 -0.15 0.00 -0.61 0.00 0.00 39.78 36.19 3liy n ASN 96 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3liy n ASN 97 N -2.65 0.12 -4.14 6.41 3.02 -1.26 -4.97 115.26 111.79 3liy n ASN 97 Ca 0.05 0.05 -0.30 0.00 -0.03 0.00 0.00 54.58 54.35 3liy n ASN 97 Cb 0.51 1.27 -0.17 0.00 -0.61 0.00 0.00 39.78 40.78 3liy n ASN 97 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3liy s TRP 98 N -2.95 2.25 -0.24 3.10 0.52 -1.26 -5.06 118.94 115.30 3liy s TRP 98 Ca -0.08 -0.98 0.01 0.00 0.02 0.00 0.00 56.10 55.06 3liy s TRP 98 Cb 0.09 -1.55 0.07 0.00 -1.15 0.00 0.00 33.47 30.93 3liy s TRP 98 CO 0.86 -0.44 -0.03 0.00 0.02 0.00 0.00 176.95 177.36 3liy s ALA 99 N 0.61 1.91 -0.10 0.98 0.00 -1.26 -3.49 121.76 120.42 3liy s ALA 99 Ca -0.14 -1.41 -0.01 0.00 0.00 0.00 0.00 51.96 50.41 3liy s ALA 99 Cb -0.17 -1.46 0.03 0.00 0.00 0.00 0.00 23.12 21.52 3liy s ALA 99 CO 0.04 -1.26 -0.06 0.42 0.00 0.00 0.00 175.76 174.90 3liy s ILE 100 N 1.42 0.84 -0.45 0.00 1.01 -0.12 -1.13 121.20 122.77 3liy s ILE 100 Ca -0.03 -0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.18 3liy s ILE 100 Cb -0.19 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.42 3liy s ILE 100 CO -0.08 0.34 0.95 -0.63 0.00 0.00 0.00 174.94 175.52 3liy s ILE 101 N 1.74 4.45 0.15 2.92 -1.09 0.90 -1.11 121.20 129.17 3liy s ILE 101 Ca 0.04 0.88 0.00 0.00 -2.23 0.00 0.00 60.65 59.34 3liy s ILE 101 Cb -0.13 -4.44 0.03 0.00 -1.58 0.00 0.00 42.46 36.34 3liy s ILE 101 CO -0.07 -0.81 0.21 0.61 -1.23 0.00 0.00 174.94 173.65 3liy n GLY 102 N 4.84 0.99 0.24 6.18 0.00 -1.26 -1.44 105.19 114.74 3liy n GLY 102 Ca 0.07 -2.01 0.11 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.39 1.61 3.08 -1.20 -1.13 114.38 116.35 3liy h ARG 103 Ca -0.07 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.02 3liy h ARG 103 Cb 0.27 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 3liy h ARG 103 CO 0.08 0.19 0.16 0.38 -1.07 0.00 0.00 179.97 179.70 3liy h ASP 104 N 0.00 0.20 -0.15 7.04 2.03 -1.81 0.75 116.42 124.47 3liy h ASP 104 Ca -0.00 0.03 -0.08 0.00 -0.73 0.00 0.00 57.03 56.25 3liy h ASP 104 Cb 0.60 0.01 -0.00 0.00 -0.83 0.00 0.00 39.33 39.10 3liy h ASP 104 CO 0.02 0.15 -0.21 0.00 -1.03 0.00 0.00 179.24 178.17 3liy h ALA 105 N 1.23 0.23 -0.47 4.15 0.00 -1.80 -3.22 119.26 119.40 3liy h ALA 105 Ca 0.17 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3liy h ALA 105 Cb 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3liy h ALA 105 CO -0.16 0.18 0.29 -0.07 0.00 0.00 0.00 179.25 179.49 3liy h LEU 106 N 0.04 0.54 -0.78 0.00 3.38 -1.09 -1.94 115.31 115.46 3liy h LEU 106 Ca 0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3liy h LEU 106 Cb 0.77 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 3liy h LEU 106 CO 0.05 0.41 0.38 -0.61 0.09 0.00 0.00 178.44 178.75 3liy h GLN 107 N 0.63 1.12 0.00 1.13 4.15 -0.87 0.15 115.11 121.42 3liy h GLN 107 Ca 0.17 -0.16 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 3liy h GLN 107 Cb -0.05 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.43 3liy h GLN 107 CO -0.03 0.87 -0.30 1.96 -1.93 0.00 0.00 178.83 179.39 3liy h GLN 108 N 1.10 0.00 0.00 1.69 4.20 -1.38 -1.98 115.11 118.74 3liy h GLN 108 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3liy h GLN 108 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3liy h GLN 108 CO -0.03 0.30 0.00 0.00 -0.67 0.00 0.00 178.83 178.43 3liy n GLN 110 N -1.46 -5.30 -2.39 0.00 6.02 -0.74 -4.95 117.38 108.55 3liy n GLN 110 Ca 0.06 0.77 -0.34 0.00 -0.01 0.00 0.00 57.00 57.49 3liy n GLN 110 Cb 0.25 -5.65 -0.02 0.00 1.02 0.00 0.00 30.24 25.84 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 -2.90 2.49 0.03 1.08 0.00 0.46 -5.02 107.32 103.45 3liy s GLY 111 Ca 0.43 0.64 -0.01 0.00 0.00 0.00 0.00 44.72 45.77 3liy s GLY 111 CO 0.53 0.96 -0.02 -1.34 0.00 0.00 0.00 173.10 173.23 3liy s VAL 112 N -1.99 0.16 -0.08 1.40 -7.23 -1.26 -4.75 120.40 106.65 3liy s VAL 112 Ca 0.68 -1.30 -0.12 0.00 -1.81 0.00 0.00 61.98 59.44 3liy s VAL 112 Cb -0.18 -0.83 -0.05 0.00 0.56 0.00 0.00 36.38 35.88 3liy s VAL 112 CO 0.24 -0.72 0.28 -0.22 -0.31 0.00 0.00 175.10 174.38 3liy s LEU 113 N -2.11 4.40 -0.11 1.32 0.20 -1.26 -5.09 118.68 116.03 3liy s LEU 113 Ca -0.06 0.69 0.01 0.00 0.69 0.00 0.00 54.13 55.46 3liy s LEU 113 Cb -0.02 -2.34 0.02 0.00 -0.43 0.00 0.00 46.19 43.42 3liy s LEU 113 CO -0.05 0.32 -0.11 -0.47 -0.29 0.00 0.00 176.35 175.75 3liy s TYR 114 N -0.79 1.63 -0.23 5.38 5.04 -1.26 -5.10 117.35 122.04 3liy s TYR 114 Ca 0.19 -0.78 -0.00 0.00 -2.44 0.00 0.00 57.07 54.03 3liy s TYR 114 Cb -0.14 -1.27 0.03 0.00 0.35 0.00 0.00 41.96 40.93 3liy s TYR 114 CO 0.08 -0.47 -0.11 -0.51 -1.34 0.00 0.00 175.55 173.20 3liy s LEU 115 N 1.33 2.90 0.00 6.97 1.02 -1.26 -5.15 118.68 124.49 3liy s LEU 115 Ca -0.01 -0.85 0.00 0.00 0.02 0.00 0.00 54.13 53.29 3liy s LEU 115 Cb -0.14 -1.60 0.00 0.00 0.02 0.00 0.00 46.19 44.47 3liy s LEU 115 CO -0.05 -0.09 0.40 -2.65 0.02 0.00 0.00 176.35 173.98