#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 4.82 -0.32 0.52 1.01 -1.26 -5.05 120.40 120.13 3liy s VAL 2 Ca 0.00 1.94 -0.02 0.00 0.00 0.00 0.00 61.98 63.89 3liy s VAL 2 Cb 0.00 -4.27 0.06 0.00 0.00 0.00 0.00 36.38 32.17 3liy s VAL 2 CO 0.00 0.03 0.03 -0.63 0.00 0.00 0.00 175.10 174.53 3liy s ILE 3 N 1.91 3.08 0.63 2.22 1.01 -1.26 -5.11 121.20 123.68 3liy s ILE 3 Ca 0.46 -1.45 -0.15 0.00 0.00 0.00 0.00 60.65 59.51 3liy s ILE 3 Cb -0.18 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 3liy s ILE 3 CO 0.17 -0.18 1.09 -2.84 0.00 0.00 0.00 174.94 173.19 3liy s PRO 4 N 1.25 3.00 -0.12 2.79 0.02 -1.26 -5.02 135.00 135.65 3liy s PRO 4 Ca -0.03 1.34 -0.00 0.00 0.02 0.00 0.00 61.00 62.32 3liy s PRO 4 Cb -0.20 -1.98 -0.02 0.00 0.02 0.00 0.00 34.50 32.32 3liy s PRO 4 CO -0.01 -1.09 -0.12 -0.51 -0.33 0.00 0.00 177.00 174.95 3liy s LEU 5 N -4.70 2.82 -0.21 -5.54 1.43 -1.26 -4.91 118.68 106.30 3liy s LEU 5 Ca 0.66 -0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 53.41 3liy s LEU 5 Cb -0.19 -1.63 0.09 0.00 0.03 0.00 0.00 46.19 44.49 3liy s LEU 5 CO 0.39 0.20 0.46 -0.62 0.23 0.00 0.00 176.35 177.02 3liy s ASP 6 N 0.16 -0.46 0.55 2.29 2.15 -1.26 -5.05 116.67 115.05 3liy s ASP 6 Ca -0.06 1.09 0.21 0.00 0.43 0.00 0.00 52.55 54.22 3liy s ASP 6 Cb -0.15 1.40 1.47 0.00 -0.30 0.00 0.00 42.92 45.35 3liy s ASP 6 CO 0.04 -0.22 2.19 1.55 -0.17 0.00 0.00 175.17 178.56 3liy h PRO 7 N 7.93 0.00 -0.01 4.34 0.13 -2.03 -2.24 132.00 140.12 3liy h PRO 7 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 3liy h PRO 7 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3liy h PRO 7 CO 0.15 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 177.84 3liy n ALA 8 N -2.46 2.73 -3.63 -0.56 0.00 -1.26 -4.74 120.51 110.60 3liy n ALA 8 Ca -0.03 -0.34 -0.26 0.00 0.00 0.00 0.00 53.44 52.81 3liy n ALA 8 Cb 0.09 -1.27 -0.17 0.00 0.00 0.00 0.00 19.45 18.10 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 -2.23 0.13 0.31 0.00 0.52 -0.84 -5.13 118.95 111.72 3liy s ARG 9 Ca 0.35 -0.10 -0.29 0.00 -0.52 0.00 0.00 55.73 55.17 3liy s ARG 9 Cb 0.21 -1.80 -0.10 0.00 0.52 0.00 0.00 34.95 33.78 3liy s ARG 9 CO 0.41 -0.65 1.27 1.03 0.02 0.00 0.00 175.30 177.39 3liy s ARG 10 N 2.10 4.41 -0.66 3.54 0.52 -1.26 -4.32 118.95 123.28 3liy s ARG 10 Ca 0.02 2.12 -0.26 0.00 -0.52 0.00 0.00 55.73 57.09 3liy s ARG 10 Cb -0.16 -3.11 0.04 0.00 0.52 0.00 0.00 34.95 32.24 3liy s ARG 10 CO -0.09 -0.12 1.17 -1.25 0.02 0.00 0.00 175.30 175.03 3liy s PRO 11 N -1.54 3.27 0.28 3.54 0.04 -1.26 -4.98 135.00 134.35 3liy s PRO 11 Ca 0.49 -0.21 0.11 0.00 0.04 0.00 0.00 61.00 61.43 3liy s PRO 11 Cb -0.38 -4.13 -0.05 0.00 0.04 0.00 0.00 34.50 29.98 3liy s PRO 11 CO 0.49 -1.90 -0.15 0.14 0.04 0.00 0.00 177.00 175.62 3liy s VAL 12 N 5.07 2.73 0.02 -0.36 -7.23 -1.26 -0.64 120.40 118.72 3liy s VAL 12 Ca 0.34 -2.28 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 3liy s VAL 12 Cb -0.10 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 3liy s VAL 12 CO 0.17 -0.39 -0.02 -0.51 -0.31 0.00 0.00 175.10 174.04 3liy s ILE 13 N -2.45 0.09 -0.14 -0.62 2.07 -0.18 -4.90 121.20 115.06 3liy s ILE 13 Ca 0.30 -0.72 -0.24 0.00 -1.41 0.00 0.00 60.65 58.58 3liy s ILE 13 Cb -0.05 -0.21 -0.02 0.00 0.13 0.00 0.00 42.46 42.30 3liy s ILE 13 CO 0.16 -0.39 0.76 -0.54 -1.91 0.00 0.00 174.94 173.02 3liy s LYS 14 N -1.16 4.32 -0.03 3.50 -0.14 -1.26 -0.06 119.74 124.92 3liy s LYS 14 Ca -0.13 0.91 0.03 0.00 -1.36 0.00 0.00 55.97 55.42 3liy s LYS 14 Cb -0.08 -3.54 0.00 0.00 -1.68 0.00 0.00 37.83 32.53 3liy s LYS 14 CO -0.01 -0.20 -0.12 0.00 -0.76 0.00 0.00 175.35 174.26 3liy s ALA 15 N 1.72 1.09 -0.31 5.17 0.00 -0.24 -4.04 121.76 125.16 3liy s ALA 15 Ca 0.36 -0.46 -0.22 0.00 0.00 0.00 0.00 51.96 51.65 3liy s ALA 15 Cb -0.17 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 3liy s ALA 15 CO 0.14 0.19 0.69 -1.14 0.00 0.00 0.00 175.76 175.64 3liy s GLN 16 N 0.11 3.92 -0.23 0.00 0.74 0.15 -0.82 119.66 123.53 3liy s GLN 16 Ca -0.03 0.41 -0.07 0.00 0.05 0.00 0.00 55.36 55.72 3liy s GLN 16 Cb -0.09 -3.73 -0.03 0.00 1.10 0.00 0.00 33.01 30.26 3liy s GLN 16 CO 0.01 -0.61 0.06 0.08 -0.55 0.00 0.00 175.29 174.27 3liy s VAL 17 N 2.75 4.32 -0.42 1.34 1.01 0.21 -1.04 120.40 128.57 3liy s VAL 17 Ca 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 3liy s VAL 17 Cb -0.15 -3.00 0.11 0.00 0.00 0.00 0.00 36.38 33.35 3liy s VAL 17 CO 0.12 0.37 0.23 -0.62 0.00 0.00 0.00 175.10 175.20 3liy s ASP 18 N 1.32 5.29 0.00 3.32 2.15 0.13 -1.68 116.67 127.19 3liy s ASP 18 Ca 0.05 -2.06 0.20 0.00 0.43 0.00 0.00 52.55 51.17 3liy s ASP 18 Cb -0.15 -1.84 0.93 0.00 -0.30 0.00 0.00 42.92 41.56 3liy s ASP 18 CO 0.03 -0.55 1.63 0.35 -0.17 0.00 0.00 175.17 176.46 3liy n THR 19 N 4.57 0.51 -1.41 1.71 -2.24 -1.26 -1.58 114.28 114.58 3liy n THR 19 Ca -0.02 0.13 -0.14 0.00 -2.27 0.00 0.00 64.05 61.74 3liy n THR 19 Cb 0.41 -0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 67.79 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 -1.46 -0.00 -0.78 6.02 -1.26 -4.78 117.38 113.74 3liy n GLN 20 Ca 0.07 0.98 0.01 0.00 -0.01 0.00 0.00 57.00 58.05 3liy n GLN 20 Cb 0.19 -5.31 0.01 0.00 1.02 0.00 0.00 30.24 26.15 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 -2.35 0.08 -3.76 5.09 -2.24 -1.26 -5.08 114.28 104.75 3liy n THR 21 Ca -0.14 -0.54 0.02 0.00 -2.27 0.00 0.00 64.05 61.11 3liy n THR 21 Cb 0.58 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 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 -0.17 -0.03 0.36 3.42 1.04 -1.26 -3.74 113.70 113.31 3liy s SER 22 Ca 0.01 -0.20 -0.28 0.00 0.48 0.00 0.00 55.95 55.96 3liy s SER 22 Cb 0.01 0.19 -0.11 0.00 0.10 0.00 0.00 66.02 66.21 3liy s SER 22 CO 0.01 -0.36 1.43 -2.28 0.98 0.00 0.00 173.24 173.03 3liy s HIS 23 N -2.29 2.75 0.40 5.02 2.46 -1.26 -4.58 115.29 117.79 3liy s HIS 23 Ca 0.20 1.24 -0.26 0.00 0.47 0.00 0.00 55.06 56.71 3liy s HIS 23 Cb 0.02 -3.91 -0.09 0.00 -0.13 0.00 0.00 32.58 28.48 3liy s HIS 23 CO -0.02 -2.64 1.27 -2.14 -2.47 0.00 0.00 174.74 168.74 3liy s PRO 24 N -1.93 3.99 0.06 2.88 0.02 -1.26 -4.89 135.00 133.87 3liy s PRO 24 Ca 0.52 2.08 0.06 0.00 0.02 0.00 0.00 61.00 63.68 3liy s PRO 24 Cb -0.44 -2.74 -0.03 0.00 0.02 0.00 0.00 34.50 31.31 3liy s PRO 24 CO 0.59 -0.45 -0.17 0.15 -0.33 0.00 0.00 177.00 176.79 3liy s LYS 25 N -2.24 1.02 -0.19 5.54 1.02 -0.68 -4.93 119.74 119.29 3liy s LYS 25 Ca 0.57 -0.92 -0.16 0.00 0.02 0.00 0.00 55.97 55.48 3liy s LYS 25 Cb -0.36 -1.10 -0.04 0.00 -0.52 0.00 0.00 37.83 35.80 3liy s LYS 25 CO 0.47 0.27 0.40 0.99 -0.92 0.00 0.00 175.35 176.55 3liy s THR 26 N -1.01 5.21 0.13 2.17 2.01 -1.26 -0.62 115.64 122.28 3liy s THR 26 Ca 0.03 0.72 0.05 0.00 0.31 0.00 0.00 61.69 62.79 3liy s THR 26 Cb -0.09 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 3liy s THR 26 CO 0.02 0.27 -0.11 0.27 -0.69 0.00 0.00 174.62 174.38 3liy s ILE 27 N 1.16 1.18 -0.11 1.82 -4.36 0.00 -4.93 121.20 115.96 3liy s ILE 27 Ca 0.20 -1.89 -0.25 0.00 -0.26 0.00 0.00 60.65 58.44 3liy s ILE 27 Cb -0.15 -1.67 -0.02 0.00 1.25 0.00 0.00 42.46 41.87 3liy s ILE 27 CO 0.08 -0.62 0.81 -0.70 0.24 0.00 0.00 174.94 174.75 3liy s GLU 28 N -3.28 4.38 0.03 0.37 2.12 -1.26 -1.08 118.70 119.98 3liy s GLU 28 Ca 0.13 1.04 0.08 0.00 0.36 0.00 0.00 54.97 56.57 3liy s GLU 28 Cb -0.01 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.84 3liy s GLU 28 CO 0.01 -0.17 -0.23 0.00 -0.54 0.00 0.00 175.26 174.33 3liy s ALA 29 N 1.58 1.96 -0.03 6.30 0.00 0.92 -4.69 121.76 127.80 3liy s ALA 29 Ca 0.40 -1.11 -0.30 0.00 0.00 0.00 0.00 51.96 50.95 3liy s ALA 29 Cb -0.18 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 3liy s ALA 29 CO 0.16 0.46 1.06 -1.17 0.00 0.00 0.00 175.76 176.27 3liy s LEU 30 N -1.06 4.32 -0.47 0.00 2.96 0.07 -1.01 118.68 123.49 3liy s LEU 30 Ca 0.09 1.71 -0.28 0.00 -0.22 0.00 0.00 54.13 55.43 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 0.01 -0.40 1.08 -0.76 -1.32 0.00 0.00 176.35 174.96 3liy s LEU 31 N 1.49 3.75 -0.41 -0.68 1.43 0.19 0.12 118.68 124.58 3liy s LEU 31 Ca 0.53 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 3liy s LEU 31 Cb -0.22 -3.45 0.13 0.00 0.03 0.00 0.00 46.19 42.68 3liy s LEU 31 CO 0.24 -1.18 0.21 -0.62 0.23 0.00 0.00 176.35 175.23 3liy s ASP 32 N 2.37 3.68 0.34 2.29 -1.08 -0.64 -4.78 116.67 118.84 3liy s ASP 32 Ca 0.45 -2.39 0.25 0.00 -0.52 0.00 0.00 52.55 50.33 3liy s ASP 32 Cb -0.08 -0.96 1.20 0.00 -1.46 0.00 0.00 42.92 41.62 3liy s ASP 32 CO 0.29 -0.30 1.75 0.71 0.52 0.00 0.00 175.17 178.14 3liy h THR 33 N 5.48 0.00 -0.43 1.71 1.35 -1.94 -2.04 112.91 117.04 3liy h THR 33 Ca -0.03 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 3liy h THR 33 Cb 0.95 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3liy h THR 33 CO 0.46 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.34 3liy n GLY 34 N -0.70 1.45 3.43 5.82 0.00 -1.26 -4.79 105.19 109.15 3liy n GLY 34 Ca -0.00 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.56 3.21 0.36 4.61 0.00 -0.77 -4.98 121.76 122.63 3liy s ALA 35 Ca 0.31 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 51.02 3liy s ALA 35 Cb 0.18 -2.24 0.67 0.00 0.00 0.00 0.00 23.12 21.73 3liy s ALA 35 CO 0.18 -0.74 1.96 -0.44 0.00 0.00 0.00 175.76 176.72 3liy h ASP 36 N 8.29 0.57 -4.76 0.00 3.32 -1.88 0.43 116.42 122.39 3liy h ASP 36 Ca -0.34 -0.06 -0.21 0.00 0.02 0.00 0.00 57.03 56.44 3liy h ASP 36 Cb 1.16 -0.15 -0.22 0.00 0.22 0.00 0.00 39.33 40.34 3liy h ASP 36 CO 0.60 0.51 -0.71 -0.32 -1.72 0.00 0.00 179.24 177.59 3liy s MET 37 N -5.33 0.35 0.46 3.56 1.75 -1.26 -3.50 119.30 115.33 3liy s MET 37 Ca -0.09 -0.58 -0.22 0.00 -1.25 0.00 0.00 55.69 53.55 3liy s MET 37 Cb 0.17 -0.04 -0.08 0.00 2.84 0.00 0.00 34.83 37.72 3liy s MET 37 CO 0.76 -0.01 1.10 0.99 -0.65 0.00 0.00 175.02 177.21 3liy s THR 38 N -1.25 3.43 -0.10 10.11 2.01 -1.26 -4.42 115.64 124.16 3liy s THR 38 Ca -0.12 1.02 0.03 0.00 0.31 0.00 0.00 61.69 62.92 3liy s THR 38 Cb -0.09 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 68.95 3liy s THR 38 CO -0.00 -0.07 -0.19 -0.69 -0.69 0.00 0.00 174.62 172.97 3liy s VAL 39 N -1.70 1.72 -0.01 3.82 1.01 -0.03 -1.31 120.40 123.90 3liy s VAL 39 Ca 0.64 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.89 3liy s VAL 39 Cb -0.23 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3liy s VAL 39 CO 0.28 0.48 -0.24 -0.63 0.00 0.00 0.00 175.10 174.99 3liy s ILE 40 N 0.65 1.92 0.36 2.22 1.09 -0.10 -0.89 121.20 126.46 3liy s ILE 40 Ca -0.13 -1.06 -0.28 0.00 -1.10 0.00 0.00 60.65 58.08 3liy s ILE 40 Cb -0.16 -1.60 -0.10 0.00 -1.06 0.00 0.00 42.46 39.53 3liy s ILE 40 CO 0.03 0.52 1.37 -2.84 -0.10 0.00 0.00 174.94 173.93 3liy s PRO 41 N -0.63 4.20 0.61 2.79 0.02 -1.16 -0.54 135.00 140.30 3liy s PRO 41 Ca 0.09 2.34 0.36 0.00 0.02 0.00 0.00 61.00 63.82 3liy s PRO 41 Cb -0.09 -2.99 2.03 0.00 0.02 0.00 0.00 34.50 33.47 3liy s PRO 41 CO -0.01 -0.36 2.27 0.97 -0.33 0.00 0.00 177.00 179.54 3liy h ILE 42 N 2.93 0.27 -0.03 2.83 2.10 -1.54 -2.06 117.51 122.01 3liy h ILE 42 Ca -0.50 -0.10 0.01 0.00 1.08 0.00 0.00 64.86 65.35 3liy h ILE 42 Cb 1.23 1.07 -0.00 0.00 -1.09 0.00 0.00 36.82 38.04 3liy h ILE 42 CO 0.64 0.02 0.05 0.00 -1.08 0.00 0.00 178.15 177.78 3liy h ALA 43 N 1.98 1.40 0.00 0.18 0.00 -1.90 -1.78 119.26 119.14 3liy h ALA 43 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3liy h ALA 43 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3liy h ALA 43 CO 0.00 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.47 3liy n LEU 44 N -3.55 0.00 -4.87 0.00 4.77 -0.77 -4.84 117.00 107.73 3liy n LEU 44 Ca -0.02 0.48 -0.32 0.00 -0.03 0.00 0.00 56.01 56.12 3liy n LEU 44 Cb 0.13 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.69 3liy n LEU 44 CO 0.24 -0.06 -0.18 -0.36 -1.33 0.00 0.00 177.39 175.70 3liy s PHE 45 N -2.96 3.45 0.53 -1.77 0.40 -0.67 -4.67 117.98 112.28 3liy s PHE 45 Ca 0.14 0.26 -0.21 0.00 -0.60 0.00 0.00 56.93 56.52 3liy s PHE 45 Cb 0.17 -1.77 -0.06 0.00 0.51 0.00 0.00 43.02 41.88 3liy s PHE 45 CO 0.46 0.60 1.23 -1.54 0.70 0.00 0.00 175.22 176.68 3liy s SER 46 N -2.14 5.61 0.54 1.36 1.04 -1.25 -4.85 113.70 114.02 3liy s SER 46 Ca 0.29 2.46 0.34 0.00 0.48 0.00 0.00 55.95 59.52 3liy s SER 46 Cb -0.13 -2.61 1.82 0.00 0.10 0.00 0.00 66.02 65.21 3liy s SER 46 CO 0.21 -1.31 2.02 0.28 0.98 0.00 0.00 173.24 175.42 3liy h SER 47 N 1.52 0.00 0.01 7.02 0.02 -1.95 -2.18 113.55 118.00 3liy h SER 47 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3liy h SER 47 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 3liy h SER 47 CO 0.58 0.00 -1.70 -3.20 -1.14 0.00 0.00 176.83 171.37 3liy n ASN 48 N -2.74 0.29 -4.77 3.07 4.05 -1.26 -5.04 115.26 108.86 3liy n ASN 48 Ca -0.02 -0.28 -0.38 0.00 0.45 0.00 0.00 54.58 54.35 3liy n ASN 48 Cb 0.13 1.70 -0.01 0.00 1.23 0.00 0.00 39.78 42.83 3liy n ASN 48 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 3liy s THR 49 N -3.37 2.87 0.17 -0.44 -4.23 -0.82 -4.97 115.64 104.85 3liy s THR 49 Ca -0.03 0.71 -0.30 0.00 -1.18 0.00 0.00 61.69 60.89 3liy s THR 49 Cb 0.15 -3.39 -0.08 0.00 1.34 0.00 0.00 72.50 70.52 3liy s THR 49 CO 0.90 0.05 1.19 -2.84 -0.54 0.00 0.00 174.62 173.37 3liy s PRO 50 N -2.45 4.50 0.07 3.99 0.02 -1.26 -5.05 135.00 134.82 3liy s PRO 50 Ca 0.60 1.85 0.01 0.00 0.02 0.00 0.00 61.00 63.48 3liy s PRO 50 Cb -0.33 -3.25 -0.03 0.00 0.02 0.00 0.00 34.50 30.90 3liy s PRO 50 CO 0.41 -0.08 -0.06 -0.51 -0.33 0.00 0.00 177.00 176.43 3liy s LEU 51 N -0.15 2.41 -0.05 -5.54 1.43 -1.26 -4.06 118.68 111.46 3liy s LEU 51 Ca 0.53 -0.82 -0.10 0.00 -1.03 0.00 0.00 54.13 52.71 3liy s LEU 51 Cb -0.32 -0.04 -0.05 0.00 0.03 0.00 0.00 46.19 45.82 3liy s LEU 51 CO 0.36 -0.40 0.26 -0.54 0.23 0.00 0.00 176.35 176.27 3liy s LYS 52 N -2.95 3.64 0.44 1.70 3.01 0.16 -4.89 119.74 120.85 3liy s LYS 52 Ca 0.02 0.07 -0.25 0.00 -1.01 0.00 0.00 55.97 54.80 3liy s LYS 52 Cb -0.00 -3.17 -0.08 0.00 -1.01 0.00 0.00 37.83 33.57 3liy s LYS 52 CO -0.04 0.72 1.29 -0.80 0.51 0.00 0.00 175.35 177.03 3liy s ASN 53 N -1.22 6.07 0.02 2.83 -0.87 -1.26 0.02 114.94 120.54 3liy s ASN 53 Ca 0.21 2.62 -0.25 0.00 -1.57 0.00 0.00 52.86 53.87 3liy s ASN 53 Cb -0.14 -2.63 0.06 0.00 -0.02 0.00 0.00 41.25 38.52 3liy s ASN 53 CO 0.10 -1.01 0.58 0.28 -2.57 0.00 0.00 177.10 174.48 3liy s THR 54 N -1.32 0.02 0.02 1.60 -1.32 -1.26 -4.70 115.64 108.67 3liy s THR 54 Ca 0.61 -0.13 -0.01 0.00 -1.21 0.00 0.00 61.69 60.95 3liy s THR 54 Cb -0.37 -0.97 -0.04 0.00 -1.51 0.00 0.00 72.50 69.62 3liy s THR 54 CO 0.46 -0.07 0.17 -0.94 -2.21 0.00 0.00 174.62 172.03 3liy s SER 55 N -1.75 6.22 -0.02 8.08 1.04 -1.26 -4.48 113.70 121.52 3liy s SER 55 Ca -0.07 0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.64 3liy s SER 55 Cb -0.01 -1.90 0.01 0.00 0.10 0.00 0.00 66.02 64.22 3liy s SER 55 CO 0.02 0.23 -0.03 -0.69 0.98 0.00 0.00 173.24 173.75 3liy s VAL 56 N -1.37 0.32 -0.28 5.02 1.01 0.20 -5.00 120.40 120.31 3liy s VAL 56 Ca 0.29 -0.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.10 3liy s VAL 56 Cb -0.13 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 3liy s VAL 56 CO 0.21 0.14 0.16 -0.22 0.00 0.00 0.00 175.10 175.40 3liy s LEU 57 N 0.55 3.90 0.00 3.92 0.20 -1.26 -0.04 118.68 125.96 3liy s LEU 57 Ca -0.06 -0.07 0.00 0.00 0.69 0.00 0.00 54.13 54.69 3liy s LEU 57 Cb -0.09 -2.07 0.00 0.00 -0.43 0.00 0.00 46.19 43.59 3liy s LEU 57 CO -0.01 -0.05 0.00 0.61 -0.29 0.00 0.00 176.35 176.61 3liy n GLY 58 N 5.03 5.11 0.30 7.98 0.00 0.21 -4.99 105.19 118.83 3liy n GLY 58 Ca -0.14 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 43.86 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 1.00 0.83 0.00 4.61 0.00 -2.03 -2.57 119.26 121.10 3liy h ALA 59 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3liy h ALA 59 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3liy h ALA 59 CO 0.00 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.32 3liy n GLY 60 N -0.37 -0.49 0.00 0.00 0.00 -1.26 -5.00 105.19 98.07 3liy n GLY 60 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.31 -1.43 3.48 -0.02 0.00 -0.97 -4.99 105.19 101.57 3liy n GLY 61 Ca 0.00 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 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 3.68 -0.01 1.61 0.74 -1.26 -0.62 119.66 123.79 3liy s GLN 62 Ca 0.00 -0.49 0.06 0.00 0.05 0.00 0.00 55.36 54.98 3liy s GLN 62 Cb 0.00 -3.12 -0.03 0.00 1.10 0.00 0.00 33.01 30.97 3liy s GLN 62 CO 0.00 0.04 -0.19 -0.08 -0.55 0.00 0.00 175.29 174.51 3liy s THR 63 N 0.94 2.69 -0.27 -0.34 -1.32 0.95 -4.96 115.64 113.33 3liy s THR 63 Ca 0.02 -0.98 0.04 0.00 -1.21 0.00 0.00 61.69 59.56 3liy s THR 63 Cb -0.14 -2.05 -0.03 0.00 -1.51 0.00 0.00 72.50 68.77 3liy s THR 63 CO 0.02 0.51 0.27 0.00 -2.21 0.00 0.00 174.62 173.21 3liy n GLN 64 N 2.10 4.45 -0.04 7.08 6.02 -1.26 -0.63 117.38 135.10 3liy n GLN 64 Ca -0.17 -0.15 -0.03 0.00 -0.01 0.00 0.00 57.00 56.64 3liy n GLN 64 Cb 0.52 -0.77 -0.07 0.00 1.02 0.00 0.00 30.24 30.93 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 -0.83 2.74 -0.24 1.08 9.92 -1.26 -4.47 116.55 123.48 3liy n ASP 65 Ca 0.01 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.21 3liy n ASP 65 Cb 0.07 0.81 0.04 0.00 -0.64 0.00 0.00 41.12 41.41 3liy n ASP 65 CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 3liy h HIS 66 N 0.00 0.96 -3.27 1.24 3.86 -1.89 -3.45 115.15 112.60 3liy h HIS 66 Ca -0.22 -0.05 -0.64 0.00 -1.16 0.00 0.00 60.37 58.29 3liy h HIS 66 Cb 1.44 -0.30 -0.15 0.00 1.06 0.00 0.00 27.41 29.46 3liy h HIS 66 CO 0.00 0.72 -0.74 -0.06 0.86 0.00 0.00 177.93 178.72 3liy s PHE 67 N -5.69 2.65 0.36 2.45 0.08 -1.26 -1.55 117.98 115.02 3liy s PHE 67 Ca -0.13 -0.21 0.06 0.00 0.12 0.00 0.00 56.93 56.77 3liy s PHE 67 Cb 0.14 -1.34 -0.07 0.00 -0.57 0.00 0.00 43.02 41.18 3liy s PHE 67 CO 0.80 0.47 0.00 0.15 -0.10 0.00 0.00 175.22 176.54 3liy s LYS 68 N -2.55 1.79 0.05 0.44 -0.14 -0.54 -4.12 119.74 114.66 3liy s LYS 68 Ca 0.23 -1.98 0.02 0.00 -1.36 0.00 0.00 55.97 52.87 3liy s LYS 68 Cb -0.10 -1.34 -0.04 0.00 -1.68 0.00 0.00 37.83 34.68 3liy s LYS 68 CO 0.14 -0.06 0.08 -0.51 -0.76 0.00 0.00 175.35 174.24 3liy s LEU 69 N -3.59 3.83 0.70 3.17 1.43 0.10 -0.25 118.68 124.07 3liy s LEU 69 Ca 0.34 0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.37 3liy s LEU 69 Cb 0.08 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.92 3liy s LEU 69 CO 0.16 0.21 1.08 0.42 0.23 0.00 0.00 176.35 178.45 3liy s THR 70 N -1.31 3.63 -0.08 5.49 -4.23 -0.76 0.37 115.64 118.75 3liy s THR 70 Ca 0.27 0.60 0.11 0.00 -1.18 0.00 0.00 61.69 61.49 3liy s THR 70 Cb -0.12 -3.18 -0.24 0.00 1.34 0.00 0.00 72.50 70.30 3liy s THR 70 CO 0.19 -0.63 0.51 -1.20 -0.54 0.00 0.00 174.62 172.95 3liy n SER 71 N -2.99 0.86 -4.70 3.99 7.64 -1.26 -4.65 113.62 112.52 3liy n SER 71 Ca 0.09 0.31 -0.25 0.00 1.01 0.00 0.00 58.87 60.03 3liy n SER 71 Cb 0.53 0.04 -0.07 0.00 -1.01 0.00 0.00 64.21 63.70 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 -6.08 3.41 0.74 -3.43 1.43 -1.26 -5.06 118.68 108.42 3liy s LEU 72 Ca -0.08 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.45 3liy s LEU 72 Cb 0.08 -2.00 0.04 0.00 0.03 0.00 0.00 46.19 44.33 3liy s LEU 72 CO 0.82 0.04 1.22 -2.65 0.23 0.00 0.00 176.35 176.01 3liy n PRO 73 N -0.51 0.57 -4.55 1.29 -0.02 -1.24 -4.73 135.00 125.81 3liy n PRO 73 Ca -0.08 0.26 -0.33 0.00 -2.02 0.00 0.00 63.50 61.33 3liy n PRO 73 Cb 0.57 -2.46 -0.13 0.00 -0.02 0.00 0.00 33.50 31.45 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 -1.81 3.43 -0.14 -1.45 1.01 -0.43 -4.58 120.40 116.43 3liy s VAL 74 Ca 0.77 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 3liy s VAL 74 Cb -0.33 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 3liy s VAL 74 CO 0.47 0.50 0.14 -0.76 0.00 0.00 0.00 175.10 175.45 3liy s LEU 75 N 0.45 4.35 -0.07 3.92 1.43 -0.61 -0.98 118.68 127.16 3liy s LEU 75 Ca -0.07 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 3liy s LEU 75 Cb -0.15 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.00 3liy s LEU 75 CO 0.04 0.35 -0.10 -0.63 0.23 0.00 0.00 176.35 176.23 3liy s ILE 76 N -0.68 1.04 -0.10 -0.59 1.01 0.08 -0.69 121.20 121.27 3liy s ILE 76 Ca 0.13 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.40 3liy s ILE 76 Cb -0.12 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 3liy s ILE 76 CO 0.03 0.34 -0.14 -0.13 0.00 0.00 0.00 174.94 175.03 3liy s ARG 77 N 0.88 3.01 0.35 2.79 0.52 -0.20 -0.10 118.95 126.19 3liy s ARG 77 Ca -0.11 -0.70 0.07 0.00 -0.52 0.00 0.00 55.73 54.48 3liy s ARG 77 Cb -0.15 -2.51 -0.02 0.00 0.52 0.00 0.00 34.95 32.79 3liy s ARG 77 CO 0.01 0.38 0.35 -0.51 0.02 0.00 0.00 175.30 175.55 3liy s LEU 78 N -0.09 3.66 -0.01 2.53 1.43 -1.26 -0.68 118.68 124.27 3liy s LEU 78 Ca -0.02 -0.45 -0.36 0.00 -1.03 0.00 0.00 54.13 52.27 3liy s LEU 78 Cb -0.14 -2.33 -0.14 0.00 0.03 0.00 0.00 46.19 43.61 3liy s LEU 78 CO 0.04 -0.41 1.62 -2.65 0.23 0.00 0.00 176.35 175.17 3liy n PRO 79 N -1.46 1.68 -1.01 1.29 -0.02 -1.26 -2.46 135.00 131.76 3liy n PRO 79 Ca -0.01 0.61 -0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3liy n PRO 79 Cb 0.60 -2.35 -0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 4.31 0.00 -4.22 6.00 3.72 -1.26 -4.99 117.46 121.02 3liy n PHE 80 Ca 0.21 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.27 3liy n PHE 80 Cb 0.23 -0.83 -0.16 0.00 -0.94 0.00 0.00 39.48 37.79 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 -0.85 3.04 0.39 -1.08 1.81 -1.03 -5.01 118.95 116.22 3liy s ARG 81 Ca 0.00 -0.81 0.21 0.00 -1.72 0.00 0.00 55.73 53.41 3liy s ARG 81 Cb 0.00 -2.59 0.29 0.00 -0.45 0.00 0.00 34.95 32.20 3liy s ARG 81 CO 0.00 -0.16 1.57 1.15 -0.68 0.00 0.00 175.30 177.18 3liy h THR 82 N 5.88 0.28 -3.17 0.02 2.02 -1.94 -3.36 112.91 112.64 3liy h THR 82 Ca -0.42 -1.37 -0.56 0.00 0.77 0.00 0.00 66.41 64.83 3liy h THR 82 Cb 1.15 2.12 -0.03 0.00 -1.74 0.00 0.00 68.15 69.65 3liy h THR 82 CO 0.62 0.16 0.64 -0.89 0.37 0.00 0.00 175.52 176.41 3liy s THR 83 N -3.15 4.53 0.29 3.16 2.01 -1.26 -5.01 115.64 116.20 3liy s THR 83 Ca 0.06 1.82 -0.10 0.00 0.31 0.00 0.00 61.69 63.78 3liy s THR 83 Cb 0.06 -4.17 -0.07 0.00 0.01 0.00 0.00 72.50 68.33 3liy s THR 83 CO 0.69 -0.00 0.63 -2.16 -0.69 0.00 0.00 174.62 173.08 3liy s PRO 84 N 2.14 3.81 0.13 4.92 0.04 -1.26 -4.77 135.00 140.00 3liy s PRO 84 Ca 0.52 0.34 -0.31 0.00 0.04 0.00 0.00 61.00 61.59 3liy s PRO 84 Cb -0.21 -2.56 -0.07 0.00 0.04 0.00 0.00 34.50 31.70 3liy s PRO 84 CO 0.20 0.20 1.27 0.42 0.04 0.00 0.00 177.00 179.13 3liy s ILE 85 N -1.99 3.56 -0.23 0.56 1.01 0.86 -4.88 121.20 120.10 3liy s ILE 85 Ca 0.49 1.19 0.00 0.00 0.00 0.00 0.00 60.65 62.33 3liy s ILE 85 Cb -0.11 -3.76 0.03 0.00 0.01 0.00 0.00 42.46 38.63 3liy s ILE 85 CO 0.24 0.13 -0.12 -0.69 0.00 0.00 0.00 174.94 174.50 3liy s VAL 86 N 0.62 2.48 -0.23 2.92 1.01 -1.26 -0.74 120.40 125.20 3liy s VAL 86 Ca 0.59 -1.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 3liy s VAL 86 Cb -0.34 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 3liy s VAL 86 CO 0.33 0.28 0.06 -0.76 0.00 0.00 0.00 175.10 175.01 3liy s LEU 87 N 1.27 3.47 0.52 3.92 1.43 -0.15 -4.96 118.68 124.17 3liy s LEU 87 Ca 0.00 -0.16 0.30 0.00 -1.03 0.00 0.00 54.13 53.24 3liy s LEU 87 Cb -0.16 -1.91 1.29 0.00 0.03 0.00 0.00 46.19 45.44 3liy s LEU 87 CO -0.07 0.01 1.97 0.71 0.23 0.00 0.00 176.35 179.20 3liy h THR 88 N 5.42 0.28 -2.41 5.49 1.35 -1.94 -1.15 112.91 119.96 3liy h THR 88 Ca -0.37 -0.70 -0.02 0.00 -0.55 0.00 0.00 66.41 64.77 3liy h THR 88 Cb 1.18 1.54 -0.16 0.00 -1.73 0.00 0.00 68.15 68.98 3liy h THR 88 CO 0.60 0.10 0.25 -0.55 -0.25 0.00 0.00 175.52 175.66 3liy s SER 89 N -5.91 -0.58 0.32 5.36 0.15 -1.26 -3.65 113.70 108.14 3liy s SER 89 Ca -0.00 0.34 -0.18 0.00 0.70 0.00 0.00 55.95 56.81 3liy s SER 89 Cb 0.10 0.54 0.03 0.00 -1.71 0.00 0.00 66.02 64.98 3liy s SER 89 CO 0.57 -0.74 0.72 0.00 1.20 0.00 0.00 173.24 174.99 3liy s LEU 91 N -3.00 3.62 -0.13 0.00 1.43 -0.43 -1.83 118.68 118.35 3liy s LEU 91 Ca 0.14 1.58 -0.00 0.00 -1.03 0.00 0.00 54.13 54.82 3liy s LEU 91 Cb -0.05 -4.51 0.02 0.00 0.03 0.00 0.00 46.19 41.68 3liy s LEU 91 CO 0.09 -0.61 -0.09 -0.69 0.23 0.00 0.00 176.35 175.28 3liy s VAL 92 N -2.62 1.19 -0.65 -1.59 1.01 0.66 -0.92 120.40 117.47 3liy s VAL 92 Ca 0.59 -0.40 -0.26 0.00 0.00 0.00 0.00 61.98 61.91 3liy s VAL 92 Cb -0.10 -1.18 0.04 0.00 0.00 0.00 0.00 36.38 35.14 3liy s VAL 92 CO 0.32 0.38 1.14 -0.62 0.00 0.00 0.00 175.10 176.32 3liy s ASP 93 N 1.64 6.26 0.16 3.32 2.15 0.30 -1.47 116.67 129.03 3liy s ASP 93 Ca 0.05 -0.40 0.17 0.00 0.43 0.00 0.00 52.55 52.79 3liy s ASP 93 Cb -0.13 -2.51 0.75 0.00 -0.30 0.00 0.00 42.92 40.74 3liy s ASP 93 CO -0.09 -1.58 1.51 0.35 -0.17 0.00 0.00 175.17 175.19 3liy n THR 94 N 6.33 1.13 1.02 1.71 -2.24 -0.59 -1.37 114.28 120.27 3liy n THR 94 Ca 0.03 0.40 0.11 0.00 -2.27 0.00 0.00 64.05 62.31 3liy n THR 94 Cb 0.48 -1.31 0.05 0.00 -2.10 0.00 0.00 70.33 67.46 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 -1.92 0.25 -1.89 -0.78 4.76 -1.26 -4.87 118.16 112.44 3liy n LYS 95 Ca 0.01 -0.18 -0.18 0.00 -2.87 0.00 0.00 58.31 55.09 3liy n LYS 95 Cb 0.13 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.78 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 -1.22 -5.23 0.08 4.39 3.02 -0.49 -4.89 115.26 110.93 3liy n ASN 96 Ca 0.06 0.24 -0.11 0.00 -0.03 0.00 0.00 54.58 54.74 3liy n ASN 96 Cb 0.35 -4.32 -0.12 0.00 -0.61 0.00 0.00 39.78 35.09 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 0.00 0.21 -3.52 6.41 -0.26 -1.94 -3.48 115.58 113.00 3liy h ASN 97 Ca -0.40 -0.22 -0.60 0.00 -0.56 0.00 0.00 56.30 54.52 3liy h ASN 97 Cb 1.25 -0.07 -0.33 0.00 -1.06 0.00 0.00 38.32 38.11 3liy h ASN 97 CO 0.53 1.16 -0.85 0.26 -1.06 0.00 0.00 177.43 177.47 3liy s TRP 98 N -2.73 2.00 -0.18 1.19 0.52 -1.26 -5.08 118.94 113.40 3liy s TRP 98 Ca -0.02 -0.74 -0.00 0.00 0.02 0.00 0.00 56.10 55.36 3liy s TRP 98 Cb 0.09 -1.37 0.04 0.00 -1.15 0.00 0.00 33.47 31.08 3liy s TRP 98 CO 0.85 -0.31 -0.06 0.00 0.02 0.00 0.00 176.95 177.45 3liy s ALA 99 N 0.36 1.61 -0.08 0.98 0.00 -1.26 -3.01 121.76 120.36 3liy s ALA 99 Ca -0.13 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 3liy s ALA 99 Cb -0.16 -1.18 0.03 0.00 0.00 0.00 0.00 23.12 21.81 3liy s ALA 99 CO 0.05 -0.84 -0.03 0.42 0.00 0.00 0.00 175.76 175.37 3liy s ILE 100 N 1.57 0.60 -0.48 0.00 1.01 -0.06 -0.75 121.20 123.08 3liy s ILE 100 Ca -0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 60.65 60.39 3liy s ILE 100 Cb -0.16 -0.70 0.03 0.00 0.01 0.00 0.00 42.46 41.64 3liy s ILE 100 CO -0.08 0.30 0.85 -0.63 0.00 0.00 0.00 174.94 175.38 3liy s ILE 101 N 1.86 4.55 0.14 2.92 1.01 0.12 -0.85 121.20 130.95 3liy s ILE 101 Ca 0.05 0.44 0.01 0.00 0.00 0.00 0.00 60.65 61.15 3liy s ILE 101 Cb -0.12 -4.40 0.03 0.00 0.01 0.00 0.00 42.46 37.97 3liy s ILE 101 CO -0.06 -0.85 0.20 0.61 0.00 0.00 0.00 174.94 174.84 3liy n GLY 102 N 5.01 1.09 0.23 6.18 0.00 -1.26 -1.62 105.19 114.82 3liy n GLY 102 Ca 0.03 -2.02 0.11 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.62 1.61 3.08 -1.06 -1.71 114.38 115.68 3liy h ARG 103 Ca -0.07 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.09 3liy h ARG 103 Cb 0.26 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.23 3liy h ARG 103 CO 0.08 0.19 0.21 0.38 -1.07 0.00 0.00 179.97 179.76 3liy h ASP 104 N 0.00 0.18 0.04 7.04 2.03 -1.80 -0.06 116.42 123.85 3liy h ASP 104 Ca -0.00 0.09 -0.23 0.00 -0.73 0.00 0.00 57.03 56.16 3liy h ASP 104 Cb 0.73 0.08 0.02 0.00 -0.83 0.00 0.00 39.33 39.33 3liy h ASP 104 CO 0.03 0.10 -0.91 0.00 -1.03 0.00 0.00 179.24 177.42 3liy h ALA 105 N 1.44 0.05 -0.13 4.15 0.00 -1.80 -3.28 119.26 119.70 3liy h ALA 105 Ca 0.32 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3liy h ALA 105 Cb 0.42 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3liy h ALA 105 CO -0.34 0.53 -0.10 -0.07 0.00 0.00 0.00 179.25 179.28 3liy h LEU 106 N 0.11 0.18 -0.76 0.00 3.38 -1.16 -1.15 115.31 115.91 3liy h LEU 106 Ca -0.13 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3liy h LEU 106 Cb 1.61 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.28 3liy h LEU 106 CO 0.18 0.31 0.34 -0.61 0.09 0.00 0.00 178.44 178.75 3liy h GLN 107 N 0.19 1.12 -0.00 1.13 4.15 -1.09 -0.28 115.11 120.34 3liy h GLN 107 Ca 0.04 -0.19 -0.14 0.00 0.77 0.00 0.00 58.65 59.14 3liy h GLN 107 Cb 0.30 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 3liy h GLN 107 CO 0.02 0.90 -0.65 1.96 -1.93 0.00 0.00 178.83 179.12 3liy h GLN 108 N 1.09 0.01 -0.62 1.69 4.20 -1.28 -2.14 115.11 118.06 3liy h GLN 108 Ca 0.26 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.96 3liy h GLN 108 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3liy h GLN 108 CO -0.03 0.66 0.00 0.00 -0.67 0.00 0.00 178.83 178.79 3liy n GLN 110 N 0.88 -5.25 -2.23 0.00 6.02 -0.81 -4.98 117.38 111.02 3liy n GLN 110 Ca 0.20 0.85 -0.37 0.00 -0.01 0.00 0.00 57.00 57.67 3liy n GLN 110 Cb 0.69 -5.74 -0.01 0.00 1.02 0.00 0.00 30.24 26.20 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 -2.81 2.79 0.04 1.08 0.00 -0.17 -5.04 107.32 103.22 3liy s GLY 111 Ca 0.37 0.97 -0.00 0.00 0.00 0.00 0.00 44.72 46.05 3liy s GLY 111 CO 0.45 1.44 -0.03 -1.34 0.00 0.00 0.00 173.10 173.61 3liy s VAL 112 N -1.51 0.23 0.04 1.40 -7.23 -1.26 -4.77 120.40 107.29 3liy s VAL 112 Ca 0.63 -1.47 -0.18 0.00 -1.81 0.00 0.00 61.98 59.16 3liy s VAL 112 Cb -0.30 -1.04 -0.06 0.00 0.56 0.00 0.00 36.38 35.54 3liy s VAL 112 CO 0.36 -0.79 0.51 -0.22 -0.31 0.00 0.00 175.10 174.65 3liy s LEU 113 N -2.35 4.50 -0.19 1.32 2.96 -1.26 -5.09 118.68 118.57 3liy s LEU 113 Ca -0.02 1.13 0.01 0.00 -0.22 0.00 0.00 54.13 55.04 3liy s LEU 113 Cb 0.01 -2.78 0.03 0.00 0.50 0.00 0.00 46.19 43.95 3liy s LEU 113 CO -0.06 0.28 -0.16 -0.47 -1.32 0.00 0.00 176.35 174.62 3liy s TYR 114 N -0.99 2.64 -0.30 5.38 5.04 -1.26 -5.09 117.35 122.77 3liy s TYR 114 Ca 0.27 -1.62 -0.02 0.00 -2.44 0.00 0.00 57.07 53.25 3liy s TYR 114 Cb -0.18 -1.80 0.05 0.00 0.35 0.00 0.00 41.96 40.37 3liy s TYR 114 CO 0.17 -0.78 0.01 -0.51 -1.34 0.00 0.00 175.55 173.10 3liy s LEU 115 N 1.33 3.92 0.00 6.97 1.43 -1.26 -5.16 118.68 125.92 3liy s LEU 115 Ca 0.02 -1.23 0.00 0.00 -1.03 0.00 0.00 54.13 51.90 3liy s LEU 115 Cb -0.14 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.34 3liy s LEU 115 CO -0.11 -0.26 0.42 -2.65 0.23 0.00 0.00 176.35 173.98