#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lqa s VAL 2 N 0.00 -0.00 0.05 1.69 0.11 -1.26 -4.91 120.40 116.06 3lqa s VAL 2 Ca 0.00 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 3lqa s VAL 2 Cb 0.00 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.31 3lqa s VAL 2 CO 0.00 0.01 -0.05 -1.10 -3.33 0.00 0.00 175.10 170.63 3lqa s GLN 3 N 0.38 0.52 -0.06 1.54 -0.21 0.16 -4.95 119.66 117.04 3lqa s GLN 3 Ca -0.02 -0.89 0.02 0.00 0.02 0.00 0.00 55.36 54.49 3lqa s GLN 3 Cb -0.04 -0.06 0.01 0.00 1.00 0.00 0.00 33.01 33.93 3lqa s GLN 3 CO -0.01 -0.02 -0.11 0.08 -2.12 0.00 0.00 175.29 173.11 3lqa s VAL 4 N -2.25 1.01 -0.08 1.09 1.01 -1.26 -2.63 120.40 117.30 3lqa s VAL 4 Ca -0.05 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3lqa s VAL 4 Cb -0.04 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.41 3lqa s VAL 4 CO -0.03 0.33 -0.18 -0.69 0.00 0.00 0.00 175.10 174.53 3lqa s VAL 5 N 0.70 1.55 0.12 2.92 1.01 -0.77 -4.15 120.40 121.77 3lqa s VAL 5 Ca -0.14 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.19 3lqa s VAL 5 Cb -0.15 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3lqa s VAL 5 CO 0.03 0.45 -0.06 -1.10 0.00 0.00 0.00 175.10 174.42 3lqa s GLN 6 N 0.52 2.26 0.84 2.72 -0.21 -1.26 -1.26 119.66 123.27 3lqa s GLN 6 Ca -0.16 -1.01 -0.11 0.00 0.02 0.00 0.00 55.36 54.10 3lqa s GLN 6 Cb -0.17 -2.36 0.10 0.00 1.00 0.00 0.00 33.01 31.58 3lqa s GLN 6 CO 0.06 0.50 1.09 -1.54 -2.12 0.00 0.00 175.29 173.28 3lqa s SER 7 N -2.38 3.94 0.65 5.90 1.04 -1.19 -4.96 113.70 116.69 3lqa s SER 7 Ca 0.23 1.62 -0.18 0.00 0.48 0.00 0.00 55.95 58.10 3lqa s SER 7 Cb -0.11 -2.31 -0.01 0.00 0.10 0.00 0.00 66.02 63.69 3lqa s SER 7 CO 0.16 -2.36 1.27 0.61 0.98 0.00 0.00 173.24 173.89 3lqa n GLY 8 N -1.20 0.48 3.78 7.32 0.00 -1.26 -4.80 105.19 109.51 3lqa n GLY 8 Ca 0.08 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 3lqa n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lqa s ALA 9 N -1.40 3.58 0.05 4.61 0.00 -1.26 -4.80 121.76 122.54 3lqa s ALA 9 Ca 0.82 1.60 0.02 0.00 0.00 0.00 0.00 51.96 54.41 3lqa s ALA 9 Cb -0.38 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.09 3lqa s ALA 9 CO 0.41 -1.09 -0.08 -2.00 0.00 0.00 0.00 175.76 173.00 3lqa s GLU 10 N -2.08 0.59 -0.14 0.00 2.12 -0.35 -4.94 118.70 113.89 3lqa s GLU 10 Ca 0.53 -0.85 -0.01 0.00 0.36 0.00 0.00 54.97 55.00 3lqa s GLU 10 Cb -0.47 -0.30 -0.02 0.00 0.26 0.00 0.00 34.13 33.60 3lqa s GLU 10 CO 0.64 0.04 -0.10 0.08 -0.54 0.00 0.00 175.26 175.38 3lqa s VAL 11 N -1.72 3.32 0.01 3.70 1.01 -1.26 -2.37 120.40 123.09 3lqa s VAL 11 Ca -0.06 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.40 3lqa s VAL 11 Cb -0.08 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 3lqa s VAL 11 CO -0.00 0.51 -0.15 -0.13 0.00 0.00 0.00 175.10 175.33 3lqa s ARG 12 N 0.34 1.14 0.13 2.72 1.81 -0.27 -4.97 118.95 119.87 3lqa s ARG 12 Ca -0.09 -0.66 -0.30 0.00 -1.72 0.00 0.00 55.73 52.96 3lqa s ARG 12 Cb -0.15 -1.14 -0.06 0.00 -0.45 0.00 0.00 34.95 33.14 3lqa s ARG 12 CO 0.05 0.30 1.00 0.15 -0.68 0.00 0.00 175.30 176.12 3lqa s LYS 13 N -0.72 4.68 0.36 3.54 -0.14 -1.26 -1.72 119.74 124.48 3lqa s LYS 13 Ca 0.05 1.52 -0.25 0.00 -1.36 0.00 0.00 55.97 55.93 3lqa s LYS 13 Cb -0.07 -3.35 -0.13 0.00 -1.68 0.00 0.00 37.83 32.60 3lqa s LYS 13 CO 0.00 0.19 0.73 -0.35 -0.76 0.00 0.00 175.35 175.17 3lqa n PRO 14 N 2.62 0.82 0.00 -1.68 -0.04 -1.26 -2.10 135.00 133.36 3lqa n PRO 14 Ca 0.02 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 3lqa n PRO 14 Cb 0.48 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 3lqa n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3lqa n GLY 15 N 1.57 1.50 3.88 0.55 0.00 -0.59 -4.88 105.19 107.23 3lqa n GLY 15 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3lqa n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lqa s ALA 16 N -2.50 3.87 0.77 4.61 0.00 -0.89 -3.95 121.76 123.67 3lqa s ALA 16 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 3lqa s ALA 16 Cb 0.00 -1.96 0.05 0.00 0.00 0.00 0.00 23.12 21.21 3lqa s ALA 16 CO 0.00 0.62 1.09 -1.54 0.00 0.00 0.00 175.76 175.93 3lqa s SER 17 N -1.03 4.54 -0.01 0.00 1.04 -1.26 -4.02 113.70 112.96 3lqa s SER 17 Ca 0.15 1.81 0.03 0.00 0.48 0.00 0.00 55.95 58.42 3lqa s SER 17 Cb -0.12 -2.52 -0.00 0.00 0.10 0.00 0.00 66.02 63.48 3lqa s SER 17 CO 0.04 -2.01 -0.09 0.54 0.98 0.00 0.00 173.24 172.70 3lqa s VAL 18 N -2.91 0.76 -0.06 5.02 0.11 0.15 -4.96 120.40 118.52 3lqa s VAL 18 Ca 0.61 -0.39 0.02 0.00 -2.93 0.00 0.00 61.98 59.29 3lqa s VAL 18 Cb -0.17 -0.65 0.02 0.00 -1.53 0.00 0.00 36.38 34.05 3lqa s VAL 18 CO 0.56 0.22 -0.10 -0.75 -3.33 0.00 0.00 175.10 171.70 3lqa s LYS 19 N -0.11 1.49 -0.17 1.54 2.20 -1.26 -2.23 119.74 121.20 3lqa s LYS 19 Ca 0.02 -0.34 0.02 0.00 -0.36 0.00 0.00 55.97 55.31 3lqa s LYS 19 Cb -0.05 -1.27 0.02 0.00 -1.51 0.00 0.00 37.83 35.02 3lqa s LYS 19 CO -0.00 -0.00 -0.21 0.08 -0.36 0.00 0.00 175.35 174.86 3lqa s VAL 20 N 0.73 2.07 0.60 4.02 1.01 0.05 -4.93 120.40 123.95 3lqa s VAL 20 Ca -0.14 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.79 3lqa s VAL 20 Cb -0.15 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3lqa s VAL 20 CO 0.03 0.54 1.00 -0.94 0.00 0.00 0.00 175.10 175.73 3lqa s SER 21 N 1.12 6.24 -0.02 3.32 1.04 -1.26 -2.50 113.70 121.63 3lqa s SER 21 Ca 0.01 1.37 0.00 0.00 0.48 0.00 0.00 55.95 57.81 3lqa s SER 21 Cb -0.14 -2.45 0.03 0.00 0.10 0.00 0.00 66.02 63.56 3lqa s SER 21 CO -0.09 -0.83 0.01 0.00 0.98 0.00 0.00 173.24 173.31 3lqa s LYS 23 N 1.04 1.93 -0.10 0.00 2.20 -0.39 -2.27 119.74 122.14 3lqa s LYS 23 Ca -0.10 -0.85 0.04 0.00 -0.36 0.00 0.00 55.97 54.71 3lqa s LYS 23 Cb -0.13 -1.86 0.00 0.00 -1.51 0.00 0.00 37.83 34.32 3lqa s LYS 23 CO -0.02 0.51 -0.24 0.08 -0.36 0.00 0.00 175.35 175.32 3lqa s VAL 24 N -0.55 2.06 -0.03 4.02 1.01 -1.16 -1.86 120.40 123.90 3lqa s VAL 24 Ca 0.09 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 61.12 3lqa s VAL 24 Cb -0.09 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 3lqa s VAL 24 CO -0.01 0.56 -0.24 -0.44 0.00 0.00 0.00 175.10 174.97 3lqa s SER 25 N 0.34 3.21 0.00 3.32 0.01 -1.08 -4.66 113.70 114.84 3lqa s SER 25 Ca -0.19 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.64 3lqa s SER 25 Cb -0.18 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.62 3lqa s SER 25 CO 0.09 0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.67 3lqa n GLY 26 N 2.43 0.44 3.64 3.44 0.00 -1.26 -0.67 105.19 113.21 3lqa n GLY 26 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 3lqa n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3lqa s PHE 27 N -2.00 -0.37 -0.25 1.61 -0.71 -1.26 -5.03 117.98 109.97 3lqa s PHE 27 Ca 0.00 0.04 -0.11 0.00 -1.04 0.00 0.00 56.93 55.82 3lqa s PHE 27 Cb 0.00 0.63 -0.05 0.00 -1.21 0.00 0.00 43.02 42.39 3lqa s PHE 27 CO 0.00 -1.04 0.17 0.99 -1.34 0.00 0.00 175.22 174.00 3lqa s THR 28 N -3.83 5.34 0.13 -4.49 2.01 -1.26 -4.97 115.64 108.57 3lqa s THR 28 Ca 0.06 0.18 -0.31 0.00 0.31 0.00 0.00 61.69 61.93 3lqa s THR 28 Cb -0.03 -3.51 -0.09 0.00 0.01 0.00 0.00 72.50 68.87 3lqa s THR 28 CO -0.03 0.32 1.62 -0.22 -0.69 0.00 0.00 174.62 175.62 3lqa s LEU 29 N 1.27 4.37 0.55 4.42 2.96 -1.26 -4.87 118.68 126.12 3lqa s LEU 29 Ca 0.07 2.58 0.33 0.00 -0.22 0.00 0.00 54.13 56.90 3lqa s LEU 29 Cb -0.14 -3.58 1.33 0.00 0.50 0.00 0.00 46.19 44.30 3lqa s LEU 29 CO 0.06 -0.87 1.97 0.71 -1.32 0.00 0.00 176.35 176.91 3lqa h THR 30 N 4.36 0.01 0.00 3.68 1.35 -1.95 -3.44 112.91 116.92 3lqa h THR 30 Ca -0.43 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 3lqa h THR 30 Cb 1.20 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 3lqa h THR 30 CO 0.92 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.81 3lqa n GLY 31 N 0.07 2.52 0.61 5.82 0.00 -1.26 -4.78 105.19 108.16 3lqa n GLY 31 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3lqa n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3lqa n LEU 32 N 0.00 2.25 -0.38 0.99 4.77 -1.26 -4.74 117.00 118.63 3lqa n LEU 32 Ca 0.00 -0.84 -0.02 0.00 -0.03 0.00 0.00 56.01 55.12 3lqa n LEU 32 Cb 0.00 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.20 3lqa n LEU 32 CO 0.00 0.40 1.30 0.28 -1.33 0.00 0.00 177.39 178.04 3lqa h SER 33 N 3.00 1.16 -3.31 -1.43 0.02 -1.92 -3.43 113.55 107.64 3lqa h SER 33 Ca 0.00 -0.03 -0.64 0.00 -0.84 0.00 0.00 61.79 60.28 3lqa h SER 33 Cb 0.78 -0.29 -0.23 0.00 0.14 0.00 0.00 62.40 62.80 3lqa h SER 33 CO 0.00 0.84 -0.69 -0.63 -1.14 0.00 0.00 176.83 175.21 3lqa s ILE 34 N -6.12 3.67 -0.10 3.27 1.01 -1.26 -2.58 121.20 119.09 3lqa s ILE 34 Ca -0.13 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.12 3lqa s ILE 34 Cb 0.18 -2.59 -0.00 0.00 0.01 0.00 0.00 42.46 40.06 3lqa s ILE 34 CO 0.82 0.50 -0.23 -1.00 0.00 0.00 0.00 174.94 175.03 3lqa s HIS 35 N 0.35 2.57 -0.31 3.97 3.76 -0.00 -4.51 115.29 121.12 3lqa s HIS 35 Ca -0.06 -1.00 -0.12 0.00 -0.15 0.00 0.00 55.06 53.73 3lqa s HIS 35 Cb -0.15 -1.71 -0.04 0.00 1.11 0.00 0.00 32.58 31.80 3lqa s HIS 35 CO 0.04 -0.39 0.21 -0.46 -0.85 0.00 0.00 174.74 173.29 3lqa s TRP 36 N 0.30 3.22 -0.09 1.40 -0.11 -1.22 0.13 118.94 122.57 3lqa s TRP 36 Ca -0.17 -0.02 0.03 0.00 1.22 0.00 0.00 56.10 57.16 3lqa s TRP 36 Cb -0.18 -2.43 0.00 0.00 -1.50 0.00 0.00 33.47 29.37 3lqa s TRP 36 CO 0.08 -0.25 -0.20 0.08 -4.62 0.00 0.00 176.95 172.04 3lqa s VAL 37 N 1.75 1.77 0.08 5.86 1.01 -0.56 -2.64 120.40 127.67 3lqa s VAL 37 Ca 0.07 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.25 3lqa s VAL 37 Cb -0.17 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 3lqa s VAL 37 CO 0.11 0.50 -0.15 0.00 0.00 0.00 0.00 175.10 175.55 3lqa s ARG 38 N 0.44 0.88 -0.14 2.72 1.70 -0.98 0.15 118.95 123.71 3lqa s ARG 38 Ca -0.18 -0.98 0.02 0.00 -0.47 0.00 0.00 55.73 54.12 3lqa s ARG 38 Cb -0.17 -0.93 0.00 0.00 -0.57 0.00 0.00 34.95 33.28 3lqa s ARG 38 CO 0.07 0.21 -0.19 -1.14 -1.08 0.00 0.00 175.30 173.18 3lqa s GLN 39 N -1.75 3.14 0.70 3.89 0.74 0.61 -2.84 119.66 124.15 3lqa s GLN 39 Ca -0.00 -0.80 -0.13 0.00 0.05 0.00 0.00 55.36 54.47 3lqa s GLN 39 Cb -0.10 -2.51 0.02 0.00 1.10 0.00 0.00 33.01 31.52 3lqa s GLN 39 CO 0.03 0.05 1.10 0.00 -0.55 0.00 0.00 175.29 175.91 3lqa s ALA 40 N 0.71 2.40 0.11 1.58 0.00 -1.26 0.20 121.76 125.49 3lqa s ALA 40 Ca -0.08 0.42 -0.30 0.00 0.00 0.00 0.00 51.96 52.00 3lqa s ALA 40 Cb -0.16 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 3lqa s ALA 40 CO 0.01 -1.46 1.07 -2.14 0.00 0.00 0.00 175.76 173.25 3lqa s PRO 41 N -4.43 4.57 0.00 0.00 0.02 -1.26 -2.55 135.00 131.35 3lqa s PRO 41 Ca 0.64 1.62 0.00 0.00 0.02 0.00 0.00 61.00 63.29 3lqa s PRO 41 Cb -0.19 -3.34 0.00 0.00 0.02 0.00 0.00 34.50 30.99 3lqa s PRO 41 CO 0.47 0.01 0.00 0.41 -0.33 0.00 0.00 177.00 177.56 3lqa n GLY 42 N 2.50 0.96 3.34 0.52 0.00 -1.26 -5.04 105.19 106.20 3lqa n GLY 42 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 3lqa n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lqa s LYS 43 N -0.50 1.31 1.11 1.61 1.02 -1.06 -5.17 119.74 118.07 3lqa s LYS 43 Ca 0.00 -1.58 -0.19 0.00 0.02 0.00 0.00 55.97 54.23 3lqa s LYS 43 Cb 0.00 -1.09 0.27 0.00 -0.52 0.00 0.00 37.83 36.49 3lqa s LYS 43 CO 0.00 0.18 1.14 0.41 -0.92 0.00 0.00 175.35 176.16 3lqa n GLY 44 N -0.36 -2.33 3.77 -3.33 0.00 -1.26 -4.33 105.19 97.35 3lqa n GLY 44 Ca -0.08 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 3lqa n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3lqa s LEU 45 N 0.00 4.47 -0.06 0.99 1.43 -1.26 -4.34 118.68 119.91 3lqa s LEU 45 Ca 0.70 2.52 0.02 0.00 -1.03 0.00 0.00 54.13 56.34 3lqa s LEU 45 Cb -0.05 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.53 3lqa s LEU 45 CO 0.52 -0.39 -0.10 -0.70 0.23 0.00 0.00 176.35 175.92 3lqa s GLU 46 N -1.67 1.44 -0.28 1.70 2.12 -1.13 -5.04 118.70 115.84 3lqa s GLU 46 Ca 0.47 -0.32 -0.11 0.00 0.36 0.00 0.00 54.97 55.37 3lqa s GLU 46 Cb -0.36 -1.23 -0.04 0.00 0.26 0.00 0.00 34.13 32.75 3lqa s GLU 46 CO 0.48 -0.00 0.18 -0.46 -0.54 0.00 0.00 175.26 174.92 3lqa s TRP 47 N 0.72 3.20 0.15 5.30 -0.00 -1.26 -2.33 118.94 124.73 3lqa s TRP 47 Ca -0.14 0.02 -0.11 0.00 -0.00 0.00 0.00 56.10 55.87 3lqa s TRP 47 Cb -0.15 -2.37 -0.03 0.00 -0.00 0.00 0.00 33.47 30.92 3lqa s TRP 47 CO 0.03 -0.21 1.50 0.52 -0.00 0.00 0.00 176.95 178.79 3lqa h MET 48 N 8.36 0.97 0.00 5.86 2.86 -1.89 -3.43 114.93 127.67 3lqa h MET 48 Ca -0.35 -0.48 0.00 0.00 -2.06 0.00 0.00 59.70 56.81 3lqa h MET 48 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 3lqa h MET 48 CO 0.56 1.14 0.00 0.41 1.06 0.00 0.00 176.91 180.09 3lqa n GLY 49 N 0.06 -2.09 0.00 8.32 0.00 -1.24 -0.59 105.19 109.65 3lqa n GLY 49 Ca -0.01 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.81 3lqa n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lqa n GLY 50 N -0.49 -0.94 3.77 -0.02 0.00 0.17 -3.45 105.19 104.22 3lqa n GLY 50 Ca 0.00 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 3lqa n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3lqa s PHE 51 N -2.00 3.19 0.31 1.61 5.36 -1.26 0.19 117.98 125.37 3lqa s PHE 51 Ca 0.00 1.48 0.03 0.00 -0.96 0.00 0.00 56.93 57.48 3lqa s PHE 51 Cb 0.00 -3.58 -0.06 0.00 -0.34 0.00 0.00 43.02 39.04 3lqa s PHE 51 CO 0.00 -1.53 0.07 0.20 -1.46 0.00 0.00 175.22 172.50 3lqa s GLY 52 N -0.57 1.98 0.00 13.12 0.00 -1.23 -4.83 107.32 115.78 3lqa s GLY 52 Ca 0.48 -2.01 0.00 0.00 0.00 0.00 0.00 44.72 43.19 3lqa s GLY 52 CO 0.50 -1.75 0.46 -1.05 0.00 0.00 0.00 173.10 171.25 3lqa n PRO 53 N -0.62 0.00 -3.66 2.90 -0.02 -1.26 -4.10 135.00 128.24 3lqa n PRO 53 Ca -0.02 0.02 -0.37 0.00 -2.02 0.00 0.00 63.50 61.11 3lqa n PRO 53 Cb 0.66 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.53 3lqa n PRO 53 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3lqa s GLU 54 N -1.92 3.84 0.20 -0.52 2.12 -1.26 -5.04 118.70 116.11 3lqa s GLU 54 Ca 0.00 -0.38 -0.09 0.00 0.36 0.00 0.00 54.97 54.86 3lqa s GLU 54 Cb 0.00 -3.53 0.11 0.00 0.26 0.00 0.00 34.13 30.97 3lqa s GLU 54 CO 0.00 -0.18 1.70 0.93 -0.54 0.00 0.00 175.26 177.18 3lqa h GLU 55 N 8.29 1.13 0.00 4.30 4.39 -2.04 -3.26 114.58 127.40 3lqa h GLU 55 Ca -0.36 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.05 3lqa h GLU 55 Cb 1.18 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.69 3lqa h GLU 55 CO 0.56 1.01 -0.00 -2.95 -1.16 0.00 0.00 179.01 176.47 3lqa h ASN 56 N 1.06 0.00 -3.25 1.42 7.08 -1.96 -3.44 115.58 116.49 3lqa h ASN 56 Ca 0.22 0.00 -0.64 0.00 -3.08 0.00 0.00 56.30 52.80 3lqa h ASN 56 Cb 0.41 0.00 -0.12 0.00 -2.08 0.00 0.00 38.32 36.53 3lqa h ASN 56 CO 0.01 0.00 -0.67 -1.61 -2.08 0.00 0.00 177.43 173.08 3lqa s GLU 57 N -3.68 2.44 -0.07 4.14 2.02 -1.23 -5.02 118.70 117.31 3lqa s GLU 57 Ca 0.01 -0.94 0.03 0.00 0.02 0.00 0.00 54.97 54.09 3lqa s GLU 57 Cb 0.09 -2.46 0.01 0.00 0.10 0.00 0.00 34.13 31.87 3lqa s GLU 57 CO 0.54 0.51 -0.14 -1.50 0.02 0.00 0.00 175.26 174.69 3lqa s ILE 58 N -1.41 1.30 -0.01 -1.63 2.07 -1.26 -3.53 121.20 116.72 3lqa s ILE 58 Ca 0.26 -0.57 0.04 0.00 -1.41 0.00 0.00 60.65 58.96 3lqa s ILE 58 Cb -0.11 -1.17 -0.01 0.00 0.13 0.00 0.00 42.46 41.30 3lqa s ILE 58 CO 0.18 0.39 -0.13 -0.51 -1.91 0.00 0.00 174.94 172.96 3lqa s ILE 59 N 0.60 1.03 -0.00 2.00 2.07 0.49 -4.85 121.20 122.54 3lqa s ILE 59 Ca -0.15 -0.56 0.02 0.00 -1.41 0.00 0.00 60.65 58.55 3lqa s ILE 59 Cb -0.16 -0.86 -0.03 0.00 0.13 0.00 0.00 42.46 41.54 3lqa s ILE 59 CO 0.05 0.29 -0.04 -0.31 -1.91 0.00 0.00 174.94 173.02 3lqa s TYR 60 N -0.31 2.97 0.76 3.50 2.02 -1.26 0.43 117.35 125.46 3lqa s TYR 60 Ca 0.05 0.02 -0.11 0.00 -0.37 0.00 0.00 57.07 56.66 3lqa s TYR 60 Cb -0.05 -1.64 0.05 0.00 -0.40 0.00 0.00 41.96 39.91 3lqa s TYR 60 CO -0.00 0.41 1.08 0.00 -1.57 0.00 0.00 175.55 175.46 3lqa s ALA 61 N -1.02 2.36 0.26 3.71 0.00 0.24 -4.82 121.76 122.49 3lqa s ALA 61 Ca 0.18 0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.20 3lqa s ALA 61 Cb -0.11 -3.21 0.29 0.00 0.00 0.00 0.00 23.12 20.09 3lqa s ALA 61 CO 0.08 -1.60 1.94 0.37 0.00 0.00 0.00 175.76 176.54 3lqa h GLN 62 N -1.00 1.29 -1.01 0.00 4.15 -1.95 -2.85 115.11 113.75 3lqa h GLN 62 Ca -0.45 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 58.91 3lqa h GLN 62 Cb 1.23 -0.29 -0.05 0.00 0.21 0.00 0.00 27.48 28.58 3lqa h GLN 62 CO 0.55 0.85 0.67 0.87 -1.93 0.00 0.00 178.83 179.84 3lqa h LYS 63 N 1.33 1.32 -0.03 1.69 1.57 -1.96 -2.14 116.57 118.35 3lqa h LYS 63 Ca 0.36 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3lqa h LYS 63 Cb -0.15 -0.30 0.00 0.00 0.08 0.00 0.00 32.23 31.86 3lqa h LYS 63 CO -0.08 0.88 0.00 1.19 -0.57 0.00 0.00 179.45 180.87 3lqa n PHE 64 N -4.38 0.03 -0.38 -1.35 3.01 -1.11 -4.65 117.46 108.63 3lqa n PHE 64 Ca 0.12 -0.01 -0.02 0.00 1.01 0.00 0.00 57.45 58.54 3lqa n PHE 64 Cb 0.01 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.59 3lqa n PHE 64 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 3lqa h GLN 65 N 2.13 1.33 -0.37 -1.08 1.08 -1.16 -2.63 115.11 114.41 3lqa h GLN 65 Ca 0.00 -0.08 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 3lqa h GLN 65 Cb 0.45 -0.30 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 3lqa h GLN 65 CO 0.00 0.88 0.10 0.78 -0.95 0.00 0.00 178.83 179.64 3lqa h GLY 66 N 1.37 0.63 -0.85 3.46 0.00 -1.82 -3.37 103.07 102.49 3lqa h GLY 66 Ca 0.37 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3lqa h GLY 66 CO -0.08 0.36 0.00 -0.96 0.00 0.00 0.00 176.54 175.87 3lqa n ARG 67 N -4.60 1.84 -4.68 4.80 1.85 -1.18 -5.01 116.66 109.68 3lqa n ARG 67 Ca -0.01 -1.22 -0.24 0.00 -1.00 0.00 0.00 57.85 55.38 3lqa n ARG 67 Cb 0.19 -1.47 -0.16 0.00 -1.05 0.00 0.00 32.46 29.97 3lqa n ARG 67 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3lqa s VAL 68 N -2.00 1.22 -0.10 8.89 0.11 -1.00 -2.53 120.40 124.99 3lqa s VAL 68 Ca 0.35 -0.58 0.04 0.00 -2.93 0.00 0.00 61.98 58.86 3lqa s VAL 68 Cb 0.21 -1.07 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 3lqa s VAL 68 CO 0.33 0.36 -0.24 -0.55 -3.33 0.00 0.00 175.10 171.67 3lqa s SER 69 N 0.24 3.08 -0.02 3.54 0.15 -0.00 -4.98 113.70 115.71 3lqa s SER 69 Ca -0.07 -0.56 0.07 0.00 0.70 0.00 0.00 55.95 56.10 3lqa s SER 69 Cb -0.12 -1.40 -0.02 0.00 -1.71 0.00 0.00 66.02 62.77 3lqa s SER 69 CO 0.02 0.16 -0.25 -0.04 1.20 0.00 0.00 173.24 174.34 3lqa s MET 70 N 0.34 2.16 0.02 5.44 -1.94 -1.26 0.41 119.30 124.47 3lqa s MET 70 Ca -0.19 -0.90 -0.01 0.00 -1.71 0.00 0.00 55.69 52.88 3lqa s MET 70 Cb -0.18 -2.08 -0.02 0.00 2.01 0.00 0.00 34.83 34.56 3lqa s MET 70 CO 0.09 0.57 -0.02 0.99 -0.01 0.00 0.00 175.02 176.64 3lqa s THR 71 N -0.62 0.11 -0.05 2.05 2.01 0.78 -4.95 115.64 114.96 3lqa s THR 71 Ca 0.10 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.23 3lqa s THR 71 Cb -0.10 -0.27 0.01 0.00 0.01 0.00 0.00 72.50 72.15 3lqa s THR 71 CO -0.01 -0.49 -0.10 -1.61 -0.69 0.00 0.00 174.62 171.72 3lqa s GLU 72 N -1.45 1.34 -0.27 4.92 2.02 -1.26 -0.95 118.70 123.04 3lqa s GLU 72 Ca -0.16 -0.34 -0.10 0.00 0.02 0.00 0.00 54.97 54.39 3lqa s GLU 72 Cb -0.10 -1.17 -0.05 0.00 0.10 0.00 0.00 34.13 32.91 3lqa s GLU 72 CO -0.01 0.05 0.17 -0.51 0.02 0.00 0.00 175.26 174.98 3lqa s ASP 73 N 0.54 5.88 0.24 -0.19 -0.00 -0.84 -4.96 116.67 117.34 3lqa s ASP 73 Ca -0.10 -0.04 -0.07 0.00 -0.00 0.00 0.00 52.55 52.34 3lqa s ASP 73 Cb -0.13 -2.09 0.23 0.00 -0.00 0.00 0.00 42.92 40.93 3lqa s ASP 73 CO 0.02 -0.04 1.91 0.71 -0.00 0.00 0.00 175.17 177.77 3lqa h THR 74 N 5.38 1.24 -0.89 -1.27 1.35 -1.88 -3.04 112.91 113.80 3lqa h THR 74 Ca -0.36 -0.46 -0.02 0.00 -0.55 0.00 0.00 66.41 65.03 3lqa h THR 74 Cb 1.19 -0.13 -0.04 0.00 -1.73 0.00 0.00 68.15 67.44 3lqa h THR 74 CO 0.56 0.24 0.47 0.28 -0.25 0.00 0.00 175.52 176.82 3lqa h SER 75 N 1.27 1.13 0.62 5.36 0.02 -1.93 -3.29 113.55 116.74 3lqa h SER 75 Ca 0.34 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3lqa h SER 75 Cb -0.13 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.12 3lqa h SER 75 CO -0.07 0.92 -0.39 0.35 -1.14 0.00 0.00 176.83 176.50 3lqa n THR 76 N -4.32 0.01 -3.87 -2.27 -2.24 -1.24 -4.94 114.28 95.40 3lqa n THR 76 Ca 0.09 -0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.63 3lqa n THR 76 Cb 0.11 0.07 -0.00 0.00 -2.10 0.00 0.00 70.33 68.40 3lqa n THR 76 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3lqa n ASN 77 N -1.51 -0.61 -4.10 3.42 2.85 -1.15 -4.96 115.26 109.20 3lqa n ASN 77 Ca 0.06 -0.95 -0.08 0.00 -0.11 0.00 0.00 54.58 53.50 3lqa n ASN 77 Cb 0.34 -3.36 -0.10 0.00 1.24 0.00 0.00 39.78 37.90 3lqa n ASN 77 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3lqa s THR 78 N -3.87 0.30 -0.01 -0.44 -4.23 -1.24 -2.96 115.64 103.18 3lqa s THR 78 Ca 0.01 -1.83 0.05 0.00 -1.18 0.00 0.00 61.69 58.74 3lqa s THR 78 Cb -0.00 -1.54 -0.01 0.00 1.34 0.00 0.00 72.50 72.28 3lqa s THR 78 CO 0.86 -0.98 -0.15 0.00 -0.54 0.00 0.00 174.62 173.82 3lqa s ALA 79 N -3.86 1.21 -0.02 3.99 0.00 -0.96 -1.98 121.76 120.13 3lqa s ALA 79 Ca 0.08 -0.64 0.08 0.00 0.00 0.00 0.00 51.96 51.48 3lqa s ALA 79 Cb 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 3lqa s ALA 79 CO -0.09 0.29 -0.26 0.71 0.00 0.00 0.00 175.76 176.41 3lqa s TYR 80 N -0.38 2.32 -0.08 0.00 2.02 -0.13 -2.29 117.35 118.82 3lqa s TYR 80 Ca 0.05 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.34 3lqa s TYR 80 Cb -0.06 -1.49 0.01 0.00 -0.40 0.00 0.00 41.96 40.02 3lqa s TYR 80 CO -0.00 -0.04 -0.16 1.41 -1.57 0.00 0.00 175.55 175.19 3lqa s MET 81 N -0.61 2.12 -0.07 -0.62 1.75 -1.04 -0.16 119.30 120.67 3lqa s MET 81 Ca 0.10 -0.56 0.05 0.00 -1.25 0.00 0.00 55.69 54.04 3lqa s MET 81 Cb -0.10 -1.69 -0.01 0.00 2.84 0.00 0.00 34.83 35.87 3lqa s MET 81 CO -0.01 0.07 -0.23 -1.21 -0.65 0.00 0.00 175.02 172.99 3lqa s GLU 82 N 0.58 2.65 -0.09 4.11 2.02 0.17 -0.77 118.70 127.37 3lqa s GLU 82 Ca -0.16 -0.87 0.05 0.00 0.02 0.00 0.00 54.97 54.01 3lqa s GLU 82 Cb -0.16 -2.22 -0.00 0.00 0.10 0.00 0.00 34.13 31.84 3lqa s GLU 82 CO 0.05 0.37 -0.24 -1.17 0.02 0.00 0.00 175.26 174.29 3lqa s LEU 83 N -0.12 2.08 0.30 1.80 2.96 -0.95 -0.82 118.68 123.94 3lqa s LEU 83 Ca -0.05 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 3lqa s LEU 83 Cb -0.14 -1.40 -0.06 0.00 0.50 0.00 0.00 46.19 45.09 3lqa s LEU 83 CO 0.04 0.19 0.07 -0.94 -1.32 0.00 0.00 176.35 174.39 3lqa s SER 84 N 0.17 2.02 -1.24 3.68 1.04 -1.05 -0.67 113.70 117.64 3lqa s SER 84 Ca -0.14 -1.38 -0.00 0.00 0.48 0.00 0.00 55.95 54.91 3lqa s SER 84 Cb -0.17 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.95 3lqa s SER 84 CO 0.07 -0.64 0.93 -1.20 0.98 0.00 0.00 173.24 173.38 3lqa n SER 85 N -0.62 -1.99 -4.78 7.02 7.64 -1.25 -4.77 113.62 114.87 3lqa n SER 85 Ca -0.02 -0.67 -0.41 0.00 1.01 0.00 0.00 58.87 58.78 3lqa n SER 85 Cb 0.66 -4.83 0.00 0.00 -1.01 0.00 0.00 64.21 59.04 3lqa n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3lqa s LEU 86 N -6.49 4.28 0.28 -3.43 1.02 -1.26 -4.69 118.68 108.40 3lqa s LEU 86 Ca 0.03 3.05 0.08 0.00 0.02 0.00 0.00 54.13 57.32 3lqa s LEU 86 Cb -0.01 -3.71 -0.04 0.00 0.02 0.00 0.00 46.19 42.45 3lqa s LEU 86 CO 0.75 -0.94 0.11 -0.13 0.02 0.00 0.00 176.35 176.15 3lqa s ARG 87 N -2.17 2.55 0.25 1.70 1.81 -1.26 -1.54 118.95 120.29 3lqa s ARG 87 Ca 0.54 -1.31 -0.06 0.00 -1.72 0.00 0.00 55.73 53.18 3lqa s ARG 87 Cb -0.46 -2.32 0.26 0.00 -0.45 0.00 0.00 34.95 31.98 3lqa s ARG 87 CO 0.63 0.32 1.93 0.77 -0.68 0.00 0.00 175.30 178.27 3lqa h SER 88 N 1.66 1.16 0.94 0.23 0.02 -1.98 -3.11 113.55 112.46 3lqa h SER 88 Ca -0.46 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3lqa h SER 88 Cb 1.25 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 3lqa h SER 88 CO 0.61 0.84 -0.00 1.05 -1.14 0.00 0.00 176.83 178.19 3lqa h GLU 89 N 1.36 0.00 0.00 3.45 4.11 -1.97 -3.26 114.58 118.27 3lqa h GLU 89 Ca 0.37 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.80 3lqa h GLU 89 Cb -0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 3lqa h GLU 89 CO -0.08 0.00 -0.00 -0.44 0.07 0.00 0.00 179.01 178.56 3lqa h ASP 90 N 0.00 0.00 -3.52 3.06 3.45 -1.92 -3.41 116.42 114.08 3lqa h ASP 90 Ca -0.00 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.93 3lqa h ASP 90 Cb 0.47 0.00 0.09 0.00 -0.56 0.00 0.00 39.33 39.34 3lqa h ASP 90 CO 0.00 0.00 0.87 0.42 -1.57 0.00 0.00 179.24 178.96 3lqa s THR 91 N -3.76 2.00 -0.10 0.35 -4.23 -1.23 -4.82 115.64 103.85 3lqa s THR 91 Ca 0.00 0.00 -0.31 0.00 -1.18 0.00 0.00 61.69 60.20 3lqa s THR 91 Cb 0.10 -3.00 0.10 0.00 1.34 0.00 0.00 72.50 71.04 3lqa s THR 91 CO 0.52 0.00 1.38 0.00 -0.54 0.00 0.00 174.62 175.98 3lqa s ALA 92 N -0.36 -2.84 -0.17 3.99 0.00 -0.75 -4.50 121.76 117.13 3lqa s ALA 92 Ca 0.60 0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 3lqa s ALA 92 Cb -0.48 0.98 -0.02 0.00 0.00 0.00 0.00 23.12 23.60 3lqa s ALA 92 CO 0.53 -1.19 -0.04 0.08 0.00 0.00 0.00 175.76 175.14 3lqa s VAL 93 N -2.00 3.73 -0.19 0.00 1.01 0.53 -2.20 120.40 121.27 3lqa s VAL 93 Ca 0.33 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.81 3lqa s VAL 93 Cb 0.00 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 3lqa s VAL 93 CO -0.03 0.47 0.13 -0.31 0.00 0.00 0.00 175.10 175.36 3lqa s TYR 94 N 0.66 3.43 -0.02 5.22 2.02 -0.09 0.23 117.35 128.81 3lqa s TYR 94 Ca -0.02 0.36 0.08 0.00 -0.37 0.00 0.00 57.07 57.11 3lqa s TYR 94 Cb -0.14 -2.13 -0.02 0.00 -0.40 0.00 0.00 41.96 39.26 3lqa s TYR 94 CO 0.02 0.35 -0.26 0.71 -1.57 0.00 0.00 175.55 174.80 3lqa s TYR 95 N 0.18 2.33 -0.18 2.71 2.02 0.39 -0.96 117.35 123.85 3lqa s TYR 95 Ca 0.09 -0.44 -0.10 0.00 -0.37 0.00 0.00 57.07 56.26 3lqa s TYR 95 Cb -0.11 -1.49 -0.05 0.00 -0.40 0.00 0.00 41.96 39.91 3lqa s TYR 95 CO -0.01 -0.03 0.15 0.00 -1.57 0.00 0.00 175.55 174.09 3lqa s ALA 97 N 0.03 2.16 0.02 0.00 0.00 0.34 -2.10 121.76 122.21 3lqa s ALA 97 Ca 0.10 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3lqa s ALA 97 Cb -0.11 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 3lqa s ALA 97 CO -0.00 0.53 -0.04 -0.08 0.00 0.00 0.00 175.76 176.17 3lqa s THR 98 N -0.61 0.16 0.24 0.00 -1.32 -0.68 -0.82 115.64 112.60 3lqa s THR 98 Ca 0.10 -0.93 0.08 0.00 -1.21 0.00 0.00 61.69 59.73 3lqa s THR 98 Cb -0.10 -0.30 -0.04 0.00 -1.51 0.00 0.00 72.50 70.55 3lqa s THR 98 CO -0.01 -0.48 0.11 -0.83 -2.21 0.00 0.00 174.62 171.20 3lqa s GLY 99 N -1.47 1.55 -0.10 6.08 0.00 -1.07 -0.94 107.32 111.37 3lqa s GLY 99 Ca -0.15 -1.46 -0.33 0.00 0.00 0.00 0.00 44.72 42.78 3lqa s GLY 99 CO -0.01 -1.50 1.44 -0.32 0.00 0.00 0.00 173.10 172.71 3lqa s GLY 100 N -3.62 -0.50 -1.62 0.20 0.00 -1.26 -4.93 107.32 95.60 3lqa s GLY 100 Ca 0.32 0.94 -0.16 0.00 0.00 0.00 0.00 44.72 45.81 3lqa s GLY 100 CO 0.23 0.49 0.88 0.70 0.00 0.00 0.00 173.10 175.40 3lqa n ASN 101 N -0.52 -4.10 -3.78 1.64 3.02 -1.26 -4.90 115.26 105.36 3lqa n ASN 101 Ca -0.09 -0.88 -0.13 0.00 -0.03 0.00 0.00 54.58 53.44 3lqa n ASN 101 Cb 0.64 -3.31 -0.09 0.00 -0.61 0.00 0.00 39.78 36.41 3lqa n ASN 101 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3lqa s TYR 102 N -3.28 -0.14 -0.36 3.10 5.04 -1.26 -5.11 117.35 115.34 3lqa s TYR 102 Ca 0.71 0.19 -0.17 0.00 -2.44 0.00 0.00 57.07 55.36 3lqa s TYR 102 Cb -0.37 0.07 -0.00 0.00 0.35 0.00 0.00 41.96 42.01 3lqa s TYR 102 CO 0.87 -0.37 0.45 1.52 -1.34 0.00 0.00 175.55 176.67 3lqa s TYR 103 N -1.36 3.18 -0.26 4.97 -0.85 -1.26 -4.89 117.35 116.88 3lqa s TYR 103 Ca -0.14 -0.01 0.12 0.00 -0.52 0.00 0.00 57.07 56.52 3lqa s TYR 103 Cb -0.06 -2.84 0.55 0.00 0.38 0.00 0.00 41.96 39.99 3lqa s TYR 103 CO 0.04 -0.55 1.52 0.27 -1.52 0.00 0.00 175.55 175.31 3lqa n ASN 104 N 5.61 3.35 -0.38 -0.18 6.94 -1.26 -4.31 115.26 125.03 3lqa n ASN 104 Ca -0.07 -3.41 -0.02 0.00 -0.02 0.00 0.00 54.58 51.06 3lqa n ASN 104 Cb 0.49 -0.63 0.11 0.00 -2.36 0.00 0.00 39.78 37.39 3lqa n ASN 104 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3lqa h LEU 105 N 1.47 1.16 -1.01 -4.53 5.85 -2.03 0.48 115.31 116.69 3lqa h LEU 105 Ca 0.17 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3lqa h LEU 105 Cb 1.73 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 42.42 3lqa h LEU 105 CO 0.41 0.84 0.66 -0.50 -0.34 0.00 0.00 178.44 179.51 3lqa h TRP 106 N 1.37 1.27 0.00 1.25 4.06 -2.00 -3.43 115.95 118.46 3lqa h TRP 106 Ca 0.37 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.35 3lqa h TRP 106 Cb -0.16 -0.43 0.00 0.00 -1.00 0.00 0.00 29.16 27.57 3lqa h TRP 106 CO 0.00 0.80 0.00 2.41 -3.56 0.00 0.00 178.44 178.09 3lqa n THR 107 N -4.38 0.00 -0.37 1.49 -1.04 0.17 -4.14 114.28 106.00 3lqa n THR 107 Ca 0.12 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.11 3lqa n THR 107 Cb 0.01 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 68.63 3lqa n THR 107 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3lqa h GLY 108 N 0.00 1.41 -0.47 3.41 0.00 -1.83 -3.34 103.07 102.24 3lqa h GLY 108 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3lqa h GLY 108 CO 0.00 0.52 0.00 -1.72 0.00 0.00 0.00 176.54 175.34 3lqa n TYR 109 N -4.38 0.00 -1.46 5.60 4.01 -1.26 -5.00 117.16 114.67 3lqa n TYR 109 Ca 0.12 -0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.54 3lqa n TYR 109 Cb 0.02 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.12 3lqa n TYR 109 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 3lqa s TYR 110 N -2.00 2.61 0.66 -0.72 -0.00 -1.26 -5.02 117.35 111.63 3lqa s TYR 110 Ca 0.38 1.55 -0.06 0.00 -0.00 0.00 0.00 57.07 58.94 3lqa s TYR 110 Cb 0.21 -3.09 0.05 0.00 -0.00 0.00 0.00 41.96 39.13 3lqa s TYR 110 CO 0.33 -1.73 0.96 -1.25 -0.00 0.00 0.00 175.55 173.86 3lqa s PRO 111 N -4.59 2.41 -1.00 -3.49 0.04 -1.26 -4.99 135.00 122.12 3lqa s PRO 111 Ca 0.63 -0.25 -0.12 0.00 0.04 0.00 0.00 61.00 61.31 3lqa s PRO 111 Cb -0.18 -2.23 0.24 0.00 0.04 0.00 0.00 34.50 32.37 3lqa s PRO 111 CO 0.50 -1.05 1.00 -0.51 0.04 0.00 0.00 177.00 176.99 3lqa s LEU 112 N -5.13 6.35 0.14 -3.56 1.43 -1.26 -4.20 118.68 112.46 3lqa s LEU 112 Ca 0.58 -3.13 -0.11 0.00 -1.03 0.00 0.00 54.13 50.44 3lqa s LEU 112 Cb -0.11 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 3lqa s LEU 112 CO 0.44 -0.47 1.47 0.00 0.23 0.00 0.00 176.35 178.02 3lqa h ALA 113 N 7.23 0.56 -4.47 4.21 0.00 -1.69 -3.45 119.26 121.65 3lqa h ALA 113 Ca 0.16 -0.46 -0.64 0.00 0.00 0.00 0.00 54.91 53.97 3lqa h ALA 113 Cb 0.95 -0.12 -0.30 0.00 0.00 0.00 0.00 17.79 18.32 3lqa h ALA 113 CO 0.93 0.68 -0.87 0.71 0.00 0.00 0.00 179.25 180.71 3lqa s TYR 114 N -4.36 2.03 -0.02 0.00 2.02 -0.12 -4.99 117.35 111.91 3lqa s TYR 114 Ca -0.11 -0.39 0.08 0.00 -0.37 0.00 0.00 57.07 56.28 3lqa s TYR 114 Cb 0.11 -1.31 -0.02 0.00 -0.40 0.00 0.00 41.96 40.34 3lqa s TYR 114 CO 0.88 -0.04 -0.26 -1.58 -1.57 0.00 0.00 175.55 172.98 3lqa s TRP 115 N -0.51 2.33 0.83 2.71 0.52 -1.26 -1.69 118.94 121.87 3lqa s TRP 115 Ca 0.08 -0.44 -0.13 0.00 0.02 0.00 0.00 56.10 55.64 3lqa s TRP 115 Cb -0.09 -1.50 0.10 0.00 -1.15 0.00 0.00 33.47 30.83 3lqa s TRP 115 CO -0.01 -0.04 1.20 0.20 0.02 0.00 0.00 176.95 178.33 3lqa s GLY 116 N -0.62 1.62 0.44 0.98 0.00 -0.89 -4.67 107.32 104.18 3lqa s GLY 116 Ca 0.10 -0.73 0.10 0.00 0.00 0.00 0.00 44.72 44.19 3lqa s GLY 116 CO -0.01 -0.20 2.08 0.06 0.00 0.00 0.00 173.10 175.03 3lqa h GLN 117 N -1.14 0.37 0.00 2.90 3.07 -1.92 -3.45 115.11 114.94 3lqa h GLN 117 Ca -0.46 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.26 3lqa h GLN 117 Cb 1.32 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.79 3lqa h GLN 117 CO 0.62 0.25 0.00 0.41 0.09 0.00 0.00 178.83 180.20 3lqa n GLY 118 N -1.48 2.65 2.98 0.06 0.00 -1.26 -5.09 105.19 103.05 3lqa n GLY 118 Ca 0.01 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 3lqa n GLY 118 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3lqa s THR 119 N -2.23 0.11 -0.05 2.61 -1.32 -0.14 -4.83 115.64 109.80 3lqa s THR 119 Ca 0.00 -0.92 0.04 0.00 -1.21 0.00 0.00 61.69 59.60 3lqa s THR 119 Cb 0.00 -0.27 -0.02 0.00 -1.51 0.00 0.00 72.50 70.69 3lqa s THR 119 CO 0.00 -0.51 -0.16 -0.22 -2.21 0.00 0.00 174.62 171.52 3lqa s LEU 120 N -1.48 2.63 -0.06 9.08 2.96 -1.26 -0.91 118.68 129.64 3lqa s LEU 120 Ca -0.16 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 3lqa s LEU 120 Cb -0.10 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.09 3lqa s LEU 120 CO -0.01 0.34 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.56 3lqa s VAL 121 N -0.71 1.00 -0.01 1.68 1.01 -0.94 -1.21 120.40 121.23 3lqa s VAL 121 Ca 0.11 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.74 3lqa s VAL 121 Cb -0.11 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 3lqa s VAL 121 CO 0.00 0.33 -0.16 0.42 0.00 0.00 0.00 175.10 175.69 3lqa s THR 122 N 0.71 1.25 -0.10 3.92 -4.23 -1.00 -1.82 115.64 114.38 3lqa s THR 122 Ca -0.14 -0.68 0.04 0.00 -1.18 0.00 0.00 61.69 59.73 3lqa s THR 122 Cb -0.16 -1.04 -0.00 0.00 1.34 0.00 0.00 72.50 72.64 3lqa s THR 122 CO 0.03 0.35 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.54 3lqa s VAL 123 N -0.37 2.12 -0.02 2.29 1.01 -1.26 -1.11 120.40 123.05 3lqa s VAL 123 Ca 0.06 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 3lqa s VAL 123 Cb -0.06 -1.81 0.06 0.00 0.00 0.00 0.00 36.38 34.57 3lqa s VAL 123 CO -0.01 0.56 0.58 -0.55 0.00 0.00 0.00 175.10 175.69 3lqa s SER 124 N 0.35 -0.54 0.25 3.32 0.15 -0.70 -4.77 113.70 111.76 3lqa s SER 124 Ca -0.18 0.50 -0.06 0.00 0.70 0.00 0.00 55.95 56.91 3lqa s SER 124 Cb -0.18 0.49 0.27 0.00 -1.71 0.00 0.00 66.02 64.89 3lqa s SER 124 CO 0.09 -0.60 1.93 0.28 1.20 0.00 0.00 173.24 176.13 3lqa h SER 125 N 3.11 1.15 -4.29 5.45 0.02 -1.88 -3.36 113.55 113.75 3lqa h SER 125 Ca -0.28 -0.03 -0.51 0.00 -0.84 0.00 0.00 61.79 60.12 3lqa h SER 125 Cb 1.16 -0.29 0.12 0.00 0.14 0.00 0.00 62.40 63.54 3lqa h SER 125 CO 0.39 0.84 0.33 0.00 -1.14 0.00 0.00 176.83 177.25 3lqa s ALA 126 N -6.10 2.33 0.31 3.77 0.00 -1.26 -5.02 121.76 115.78 3lqa s ALA 126 Ca -0.13 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.18 3lqa s ALA 126 Cb 0.18 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.96 3lqa s ALA 126 CO 0.82 -1.61 0.07 -1.54 0.00 0.00 0.00 175.76 173.49 3lqa s SER 127 N -3.22 2.03 0.21 0.00 1.04 -1.26 -4.99 113.70 107.51 3lqa s SER 127 Ca 0.62 -1.38 -0.32 0.00 0.48 0.00 0.00 55.95 55.35 3lqa s SER 127 Cb -0.18 -0.01 -0.12 0.00 0.10 0.00 0.00 66.02 65.81 3lqa s SER 127 CO 0.52 -0.64 1.73 -0.89 0.98 0.00 0.00 173.24 174.94 3lqa s THR 128 N -3.43 2.00 -0.03 2.02 2.01 -1.26 -4.71 115.64 112.24 3lqa s THR 128 Ca 0.37 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.39 3lqa s THR 128 Cb 0.09 -3.00 0.01 0.00 0.01 0.00 0.00 72.50 69.60 3lqa s THR 128 CO 0.15 0.00 -0.08 -0.75 -0.69 0.00 0.00 174.62 173.25 3lqa s LYS 129 N 1.13 0.95 0.77 4.92 2.20 -1.26 -4.94 119.74 123.51 3lqa s LYS 129 Ca 0.75 -0.27 -0.11 0.00 -0.36 0.00 0.00 55.97 55.98 3lqa s LYS 129 Cb -0.50 -0.89 0.05 0.00 -1.51 0.00 0.00 37.83 34.98 3lqa s LYS 129 CO 0.32 0.08 1.09 0.20 -0.36 0.00 0.00 175.35 176.68 3lqa s GLY 130 N 0.31 1.68 0.67 5.54 0.00 -1.26 -2.87 107.32 111.39 3lqa s GLY 130 Ca -0.05 0.26 -0.11 0.00 0.00 0.00 0.00 44.72 44.82 3lqa s GLY 130 CO 0.01 0.61 1.07 2.56 0.00 0.00 0.00 173.10 177.34 3lqa s PRO 131 N -4.90 3.18 0.01 2.90 0.04 -1.26 -4.51 135.00 130.46 3lqa s PRO 131 Ca 0.61 0.62 0.06 0.00 0.04 0.00 0.00 61.00 62.33 3lqa s PRO 131 Cb -0.17 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 3lqa s PRO 131 CO 0.56 -0.84 -0.18 -1.12 0.04 0.00 0.00 177.00 175.45 3lqa s SER 132 N -4.24 2.17 -0.10 6.66 0.01 -1.22 -4.97 113.70 112.02 3lqa s SER 132 Ca 0.57 -0.41 0.04 0.00 1.31 0.00 0.00 55.95 57.46 3lqa s SER 132 Cb -0.11 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.91 3lqa s SER 132 CO 0.53 0.17 -0.24 -0.69 0.41 0.00 0.00 173.24 173.43 3lqa s VAL 133 N -0.61 2.03 0.17 3.43 1.01 -1.26 -1.99 120.40 123.17 3lqa s VAL 133 Ca 0.06 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.13 3lqa s VAL 133 Cb -0.08 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 3lqa s VAL 133 CO 0.00 0.55 -0.19 -0.36 0.00 0.00 0.00 175.10 175.11 3lqa s PHE 134 N 0.35 1.85 0.05 5.22 0.08 -1.08 -4.96 117.98 119.48 3lqa s PHE 134 Ca -0.19 -0.46 0.01 0.00 0.12 0.00 0.00 56.93 56.41 3lqa s PHE 134 Cb -0.18 -0.92 -0.04 0.00 -0.57 0.00 0.00 43.02 41.31 3lqa s PHE 134 CO 0.09 0.34 0.12 -1.25 -0.10 0.00 0.00 175.22 174.42 3lqa s PRO 135 N -2.79 3.12 -0.28 0.24 0.04 -1.26 -0.29 135.00 133.78 3lqa s PRO 135 Ca 0.16 -0.54 -0.11 0.00 0.04 0.00 0.00 61.00 60.55 3lqa s PRO 135 Cb -0.06 -2.88 -0.05 0.00 0.04 0.00 0.00 34.50 31.56 3lqa s PRO 135 CO 0.07 0.61 0.19 -0.51 0.04 0.00 0.00 177.00 177.40 3lqa s LEU 136 N -2.22 4.04 0.03 -3.56 1.43 0.39 -4.88 118.68 113.91 3lqa s LEU 136 Ca 0.29 -0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 53.06 3lqa s LEU 136 Cb -0.12 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 3lqa s LEU 136 CO 0.21 -0.06 1.10 0.00 0.23 0.00 0.00 176.35 177.84 3lqa s ALA 137 N 1.76 3.29 -0.00 4.21 0.00 -1.26 -2.41 121.76 127.35 3lqa s ALA 137 Ca 0.07 0.71 -0.35 0.00 0.00 0.00 0.00 51.96 52.39 3lqa s ALA 137 Cb -0.16 -3.40 -0.14 0.00 0.00 0.00 0.00 23.12 19.42 3lqa s ALA 137 CO 0.11 -0.35 1.67 -0.35 0.00 0.00 0.00 175.76 176.84 3lqa n PRO 138 N 3.92 1.86 -1.90 0.00 -0.04 -1.26 -4.89 135.00 132.68 3lqa n PRO 138 Ca 0.08 0.68 -0.29 0.00 -0.04 0.00 0.00 63.50 63.92 3lqa n PRO 138 Cb 0.48 -2.44 0.09 0.00 -0.04 0.00 0.00 33.50 31.59 3lqa n PRO 138 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3lqa s SER 139 N 2.34 4.50 0.25 3.54 1.04 -1.26 -4.88 113.70 119.23 3lqa s SER 139 Ca 0.87 0.78 -0.06 0.00 0.48 0.00 0.00 55.95 58.02 3lqa s SER 139 Cb -0.78 -1.27 0.26 0.00 0.10 0.00 0.00 66.02 64.33 3lqa s SER 139 CO 0.48 -1.91 1.93 -1.28 0.98 0.00 0.00 173.24 173.44 3lqa h SER 140 N -1.06 1.16 -0.98 7.02 0.87 -1.99 -2.92 113.55 115.65 3lqa h SER 140 Ca -0.46 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.08 3lqa h SER 140 Cb 1.33 -0.29 -0.05 0.00 -0.44 0.00 0.00 62.40 62.95 3lqa h SER 140 CO 0.66 0.84 0.65 0.11 -0.53 0.00 0.00 176.83 178.55 3lqa h LYS 141 N 1.36 1.29 -1.00 2.24 6.56 -1.98 -3.35 116.57 121.69 3lqa h LYS 141 Ca 0.37 -0.08 0.01 0.00 -1.06 0.00 0.00 60.65 59.89 3lqa h LYS 141 Cb -0.15 -0.29 -0.05 0.00 -0.57 0.00 0.00 32.23 31.16 3lqa h LYS 141 CO -0.08 0.86 0.66 0.77 -2.06 0.00 0.00 179.45 179.60 3lqa h SER 142 N 1.33 1.15 -3.67 0.86 0.02 -1.83 -3.45 113.55 107.96 3lqa h SER 142 Ca 0.36 -0.03 -0.69 0.00 -0.84 0.00 0.00 61.79 60.59 3lqa h SER 142 Cb -0.15 -0.29 -0.19 0.00 0.14 0.00 0.00 62.40 61.91 3lqa h SER 142 CO -0.08 0.84 -0.47 0.28 -1.14 0.00 0.00 176.83 176.26 3lqa s THR 143 N -6.11 5.27 -0.03 -2.27 -1.32 -1.24 -3.47 115.64 106.47 3lqa s THR 143 Ca -0.13 -0.30 0.03 0.00 -1.21 0.00 0.00 61.69 60.08 3lqa s THR 143 Cb 0.18 -3.75 -0.00 0.00 -1.51 0.00 0.00 72.50 67.42 3lqa s THR 143 CO 0.82 -0.07 -0.12 -0.44 -2.21 0.00 0.00 174.62 172.60 3lqa s SER 144 N 1.71 1.54 0.00 8.08 0.01 -0.53 -4.68 113.70 119.84 3lqa s SER 144 Ca 0.06 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.08 3lqa s SER 144 Cb -0.18 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 65.71 3lqa s SER 144 CO 0.10 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.48 3lqa n GLY 145 N 3.09 0.48 2.00 3.44 0.00 -1.26 -2.31 105.19 110.63 3lqa n GLY 145 Ca -0.17 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 3lqa n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lqa n GLY 146 N -2.87 0.47 3.15 -0.02 0.00 -1.26 -4.93 105.19 99.74 3lqa n GLY 146 Ca 0.00 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 3lqa n GLY 146 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3lqa s THR 147 N -2.00 1.33 0.09 2.61 -4.23 -0.98 0.47 115.64 112.93 3lqa s THR 147 Ca 0.00 -0.72 0.01 0.00 -1.18 0.00 0.00 61.69 59.80 3lqa s THR 147 Cb 0.00 -1.10 -0.04 0.00 1.34 0.00 0.00 72.50 72.69 3lqa s THR 147 CO 0.00 0.38 -0.05 0.00 -0.54 0.00 0.00 174.62 174.40 3lqa s ALA 148 N -0.39 0.88 -0.06 3.99 0.00 0.29 -1.45 121.76 125.02 3lqa s ALA 148 Ca 0.06 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.71 3lqa s ALA 148 Cb -0.07 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 3lqa s ALA 148 CO -0.01 -0.27 -0.09 0.00 0.00 0.00 0.00 175.76 175.40 3lqa s ALA 149 N -3.70 2.90 0.08 0.00 0.00 -1.24 0.26 121.76 120.06 3lqa s ALA 149 Ca 0.11 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 51.03 3lqa s ALA 149 Cb 0.06 -1.17 0.02 0.00 0.00 0.00 0.00 23.12 22.03 3lqa s ALA 149 CO -0.06 0.56 0.29 -0.48 0.00 0.00 0.00 175.76 176.08 3lqa s LEU 150 N -0.77 0.92 0.00 0.00 2.34 -0.73 -4.23 118.68 116.22 3lqa s LEU 150 Ca 0.12 -0.36 0.00 0.00 0.06 0.00 0.00 54.13 53.94 3lqa s LEU 150 Cb -0.11 1.38 0.00 0.00 -0.56 0.00 0.00 46.19 46.90 3lqa s LEU 150 CO 0.01 -0.71 0.00 0.61 -1.06 0.00 0.00 176.35 175.20 3lqa n GLY 151 N 0.18 0.67 3.53 -3.48 0.00 -1.01 -2.41 105.19 102.67 3lqa n GLY 151 Ca -0.17 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 3lqa n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lqa s LEU 153 N -2.18 2.69 -0.21 0.00 2.96 0.60 -2.50 118.68 120.04 3lqa s LEU 153 Ca 0.20 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 3lqa s LEU 153 Cb -0.11 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 3lqa s LEU 153 CO 0.12 0.06 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.50 3lqa s VAL 154 N 0.98 3.66 -0.02 1.68 1.01 0.21 -2.64 120.40 125.29 3lqa s VAL 154 Ca -0.01 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.64 3lqa s VAL 154 Cb -0.15 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 3lqa s VAL 154 CO -0.01 0.43 -0.26 -0.75 0.00 0.00 0.00 175.10 174.50 3lqa s LYS 155 N 1.21 2.09 -1.26 2.72 2.47 -0.84 0.35 119.74 126.49 3lqa s LYS 155 Ca 0.03 -0.94 -0.00 0.00 -1.56 0.00 0.00 55.97 53.50 3lqa s LYS 155 Cb -0.14 -2.04 0.00 0.00 -1.46 0.00 0.00 37.83 34.19 3lqa s LYS 155 CO 0.00 0.56 0.87 -0.25 0.16 0.00 0.00 175.35 176.68 3lqa n ASP 156 N 2.40 -1.74 -4.20 1.43 8.00 -1.24 -3.37 116.55 117.82 3lqa n ASP 156 Ca -0.16 -0.71 -0.18 0.00 0.71 0.00 0.00 54.79 54.45 3lqa n ASP 156 Cb 0.51 -4.62 -0.11 0.00 -0.02 0.00 0.00 41.12 36.87 3lqa n ASP 156 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3lqa s TYR 157 N -3.50 1.28 0.00 1.24 -0.85 -0.87 -4.79 117.35 109.86 3lqa s TYR 157 Ca 0.02 -0.53 0.00 0.00 -0.52 0.00 0.00 57.07 56.04 3lqa s TYR 157 Cb -0.01 -0.69 0.00 0.00 0.38 0.00 0.00 41.96 41.64 3lqa s TYR 157 CO 0.77 0.09 0.00 0.34 -1.52 0.00 0.00 175.55 175.23 3lqa n PHE 158 N 0.86 -3.00 -2.32 -3.49 -0.00 -1.14 -1.03 117.46 107.34 3lqa n PHE 158 Ca -0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.27 3lqa n PHE 158 Cb 0.56 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 40.03 3lqa n PHE 158 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3lqa n PRO 159 N -1.00 -1.50 -3.49 -7.13 -0.04 -1.26 -4.54 135.00 116.04 3lqa n PRO 159 Ca 0.00 1.15 -0.42 0.00 -0.04 0.00 0.00 63.50 64.19 3lqa n PRO 159 Cb 0.00 -1.63 -0.10 0.00 -0.04 0.00 0.00 33.50 31.73 3lqa n PRO 159 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3lqa s GLU 160 N -0.15 3.20 0.00 0.54 2.56 -1.26 -4.79 118.70 118.80 3lqa s GLU 160 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 54.97 54.10 3lqa s GLU 160 Cb 0.00 -3.90 0.00 0.00 2.00 0.00 0.00 34.13 32.23 3lqa s GLU 160 CO 0.05 -0.62 0.00 -0.35 -0.56 0.00 0.00 175.26 173.78 3lqa n PRO 161 N 5.14 0.00 -4.34 4.30 -0.05 -1.26 -5.17 135.00 133.62 3lqa n PRO 161 Ca -0.12 0.00 -0.18 0.00 -0.05 0.00 0.00 63.50 63.15 3lqa n PRO 161 Cb 0.48 0.00 -0.15 0.00 -0.05 0.00 0.00 33.50 33.79 3lqa n PRO 161 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 3lqa s VAL 162 N 0.00 0.67 0.08 0.52 0.11 -1.26 -4.48 120.40 116.03 3lqa s VAL 162 Ca 0.00 -0.37 0.06 0.00 -2.93 0.00 0.00 61.98 58.74 3lqa s VAL 162 Cb 0.00 -0.56 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 3lqa s VAL 162 CO 0.00 0.19 -0.16 0.42 -3.33 0.00 0.00 175.10 172.22 3lqa s THR 163 N -0.20 1.23 -0.10 5.04 -4.23 -0.77 -4.97 115.64 111.64 3lqa s THR 163 Ca 0.03 -1.34 0.04 0.00 -1.18 0.00 0.00 61.69 59.24 3lqa s THR 163 Cb -0.03 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.64 3lqa s THR 163 CO -0.00 -0.18 -0.24 -0.69 -0.54 0.00 0.00 174.62 172.97 3lqa s VAL 164 N -1.24 2.05 0.03 2.29 1.01 -1.26 -1.19 120.40 122.10 3lqa s VAL 164 Ca -0.00 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.97 3lqa s VAL 164 Cb -0.10 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 3lqa s VAL 164 CO 0.03 0.56 -0.04 -0.94 0.00 0.00 0.00 175.10 174.70 3lqa s SER 165 N 0.34 0.41 -0.02 3.32 1.04 -0.95 -4.97 113.70 112.87 3lqa s SER 165 Ca -0.19 -0.58 0.08 0.00 0.48 0.00 0.00 55.95 55.74 3lqa s SER 165 Cb -0.18 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 3lqa s SER 165 CO 0.09 -0.32 -0.26 0.26 0.98 0.00 0.00 173.24 173.99 3lqa s TRP 166 N -1.77 2.33 -1.60 5.02 0.52 -1.26 0.27 118.94 122.45 3lqa s TRP 166 Ca -0.12 -0.44 -0.16 0.00 0.02 0.00 0.00 56.10 55.41 3lqa s TRP 166 Cb -0.08 -1.50 0.12 0.00 -1.15 0.00 0.00 33.47 30.86 3lqa s TRP 166 CO -0.02 -0.04 0.89 0.09 0.02 0.00 0.00 176.95 177.89 3lqa n ASN 167 N 2.44 -4.22 -4.07 2.95 3.02 0.20 -1.25 115.26 114.34 3lqa n ASN 167 Ca -0.16 -0.85 -0.33 0.00 -0.03 0.00 0.00 54.58 53.20 3lqa n ASN 167 Cb 0.51 -3.40 0.00 0.00 -0.61 0.00 0.00 39.78 36.28 3lqa n ASN 167 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3lqa n SER 168 N -2.73 -4.15 0.00 6.41 7.64 -1.26 -0.78 113.62 118.74 3lqa n SER 168 Ca 0.06 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 59.05 3lqa n SER 168 Cb 0.51 -3.35 0.00 0.00 -1.01 0.00 0.00 64.21 60.36 3lqa n SER 168 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3lqa n GLY 169 N -1.55 1.50 0.33 0.23 0.00 -0.38 -4.94 105.19 100.39 3lqa n GLY 169 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 3lqa n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lqa h ALA 170 N 0.00 1.09 -2.87 4.61 0.00 -0.79 -3.38 119.26 117.93 3lqa h ALA 170 Ca 0.00 -0.06 -0.69 0.00 0.00 0.00 0.00 54.91 54.16 3lqa h ALA 170 Cb 0.00 -0.35 -0.24 0.00 0.00 0.00 0.00 17.79 17.20 3lqa h ALA 170 CO 0.00 0.50 -0.55 -1.17 0.00 0.00 0.00 179.25 178.04 3lqa s LEU 171 N -10.12 4.35 -0.09 0.00 0.20 -1.06 -4.91 118.68 107.05 3lqa s LEU 171 Ca -0.13 -0.75 0.14 0.00 0.69 0.00 0.00 54.13 54.07 3lqa s LEU 171 Cb 0.16 -2.00 0.21 0.00 -0.43 0.00 0.00 46.19 44.13 3lqa s LEU 171 CO 0.80 -0.28 1.11 0.35 -0.29 0.00 0.00 176.35 178.04 3lqa n THR 172 N 4.97 1.35 -5.11 3.68 -2.24 -1.26 -4.36 114.28 111.31 3lqa n THR 172 Ca -0.13 -1.62 -0.32 0.00 -2.27 0.00 0.00 64.05 59.71 3lqa n THR 172 Cb 0.48 -0.03 -0.16 0.00 -2.10 0.00 0.00 70.33 68.52 3lqa n THR 172 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3lqa s SER 173 N -2.34 3.32 -0.80 3.42 0.15 -1.26 -4.48 113.70 111.72 3lqa s SER 173 Ca 0.23 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.38 3lqa s SER 173 Cb 0.20 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 3lqa s SER 173 CO 0.02 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.23 3lqa n GLY 174 N 3.52 -0.02 3.35 9.45 0.00 -1.26 -4.93 105.19 115.30 3lqa n GLY 174 Ca -0.19 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 3lqa n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lqa s VAL 175 N -2.47 3.68 -0.04 1.61 1.01 -1.26 -3.35 120.40 119.58 3lqa s VAL 175 Ca 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.62 3lqa s VAL 175 Cb 0.00 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.70 3lqa s VAL 175 CO 0.00 0.40 -0.11 -2.28 0.00 0.00 0.00 175.10 173.10 3lqa s HIS 176 N 1.51 1.25 -0.10 5.22 5.65 -1.16 -5.06 115.29 122.61 3lqa s HIS 176 Ca 0.06 -0.38 0.04 0.00 0.25 0.00 0.00 55.06 55.03 3lqa s HIS 176 Cb -0.14 -0.90 0.00 0.00 -1.18 0.00 0.00 32.58 30.36 3lqa s HIS 176 CO -0.01 -0.17 -0.24 0.99 -0.65 0.00 0.00 174.74 174.66 3lqa s THR 177 N 0.35 2.06 0.62 0.89 2.01 -1.26 -1.88 115.64 118.43 3lqa s THR 177 Ca -0.07 -1.02 -0.16 0.00 0.31 0.00 0.00 61.69 60.74 3lqa s THR 177 Cb -0.12 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 3lqa s THR 177 CO 0.02 0.56 1.12 -0.36 -0.69 0.00 0.00 174.62 175.27 3lqa s PHE 178 N 0.34 2.63 0.72 4.92 0.08 -0.78 -4.99 117.98 120.90 3lqa s PHE 178 Ca -0.19 1.55 -0.15 0.00 0.12 0.00 0.00 56.93 58.26 3lqa s PHE 178 Cb -0.18 -3.22 0.03 0.00 -0.57 0.00 0.00 43.02 39.09 3lqa s PHE 178 CO 0.09 -1.67 1.20 -1.25 -0.10 0.00 0.00 175.22 173.49 3lqa s PRO 179 N -3.81 2.21 0.59 0.24 0.04 -1.26 -4.68 135.00 128.33 3lqa s PRO 179 Ca 0.69 1.73 -0.13 0.00 0.04 0.00 0.00 61.00 63.34 3lqa s PRO 179 Cb -0.22 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 3lqa s PRO 179 CO 0.37 -1.77 1.02 0.00 0.04 0.00 0.00 177.00 176.65 3lqa s ALA 180 N -2.00 3.09 -0.10 8.56 0.00 -1.26 -4.78 121.76 125.27 3lqa s ALA 180 Ca 0.74 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.73 3lqa s ALA 180 Cb -0.28 -3.09 -0.00 0.00 0.00 0.00 0.00 23.12 19.74 3lqa s ALA 180 CO 0.45 -0.57 -0.24 0.54 0.00 0.00 0.00 175.76 175.93 3lqa s VAL 181 N -3.03 2.06 -0.25 0.00 0.11 -0.03 -4.94 120.40 114.32 3lqa s VAL 181 Ca 0.56 -1.02 -0.11 0.00 -2.93 0.00 0.00 61.98 58.47 3lqa s VAL 181 Cb -0.11 -1.78 -0.05 0.00 -1.53 0.00 0.00 36.38 32.92 3lqa s VAL 181 CO 0.48 0.56 0.21 -0.22 -3.33 0.00 0.00 175.10 172.80 3lqa s LEU 182 N 0.29 4.08 0.54 2.54 0.20 -1.26 0.13 118.68 125.20 3lqa s LEU 182 Ca -0.17 0.11 -0.16 0.00 0.69 0.00 0.00 54.13 54.60 3lqa s LEU 182 Cb -0.18 -2.17 -0.06 0.00 -0.43 0.00 0.00 46.19 43.35 3lqa s LEU 182 CO 0.08 -0.01 1.01 -1.58 -0.29 0.00 0.00 176.35 175.57 3lqa s GLN 183 N 1.43 3.73 0.61 1.98 2.00 -0.99 -4.96 119.66 123.45 3lqa s GLN 183 Ca 0.09 1.03 0.39 0.00 -2.00 0.00 0.00 55.36 54.88 3lqa s GLN 183 Cb -0.15 -2.10 1.92 0.00 0.80 0.00 0.00 33.01 33.49 3lqa s GLN 183 CO 0.08 -0.46 2.19 0.66 -0.50 0.00 0.00 175.29 177.26 3lqa h SER 184 N 0.73 0.00 -1.01 6.67 4.64 -1.97 -2.02 113.55 120.60 3lqa h SER 184 Ca -0.47 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.86 3lqa h SER 184 Cb 1.20 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.24 3lqa h SER 184 CO 0.60 0.00 0.67 0.28 -0.87 0.00 0.00 176.83 177.51 3lqa h SER 185 N 0.00 1.15 0.00 4.97 0.02 -2.03 -3.45 113.55 114.22 3lqa h SER 185 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3lqa h SER 185 Cb 0.24 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3lqa h SER 185 CO 0.00 0.83 0.00 0.61 -1.14 0.00 0.00 176.83 177.13 3lqa n GLY 186 N -1.38 0.99 3.44 -3.77 0.00 -0.76 -4.84 105.19 98.88 3lqa n GLY 186 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3lqa n GLY 186 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3lqa s LEU 187 N 0.00 3.04 0.37 0.99 1.43 -1.25 -4.58 118.68 118.68 3lqa s LEU 187 Ca 0.00 -0.21 -0.26 0.00 -1.03 0.00 0.00 54.13 52.63 3lqa s LEU 187 Cb 0.00 -1.72 -0.09 0.00 0.03 0.00 0.00 46.19 44.42 3lqa s LEU 187 CO 0.00 0.16 1.19 -0.31 0.23 0.00 0.00 176.35 177.62 3lqa s TYR 188 N 0.38 3.12 -0.01 0.29 2.02 -0.20 -2.35 117.35 120.61 3lqa s TYR 188 Ca -0.07 1.55 0.04 0.00 -0.37 0.00 0.00 57.07 58.22 3lqa s TYR 188 Cb -0.15 -3.43 -0.01 0.00 -0.40 0.00 0.00 41.96 37.97 3lqa s TYR 188 CO 0.04 -1.33 -0.13 -1.12 -1.57 0.00 0.00 175.55 171.44 3lqa s SER 189 N -0.98 1.53 -0.06 2.29 0.01 0.12 -2.05 113.70 114.56 3lqa s SER 189 Ca 0.54 -0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.59 3lqa s SER 189 Cb -0.33 -0.17 0.01 0.00 0.21 0.00 0.00 66.02 65.75 3lqa s SER 189 CO 0.41 0.16 -0.12 -0.22 0.41 0.00 0.00 173.24 173.89 3lqa s LEU 190 N -0.30 1.63 -0.02 2.44 2.96 0.16 -0.85 118.68 124.70 3lqa s LEU 190 Ca 0.05 -0.29 0.08 0.00 -0.22 0.00 0.00 54.13 53.75 3lqa s LEU 190 Cb -0.05 -0.81 -0.02 0.00 0.50 0.00 0.00 46.19 45.81 3lqa s LEU 190 CO -0.00 0.03 -0.26 -0.94 -1.32 0.00 0.00 176.35 173.86 3lqa s SER 191 N 0.67 3.03 -0.13 3.68 1.04 -1.26 0.67 113.70 121.40 3lqa s SER 191 Ca -0.15 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 55.84 3lqa s SER 191 Cb -0.16 -0.34 -0.00 0.00 0.10 0.00 0.00 66.02 65.62 3lqa s SER 191 CO 0.04 0.32 -0.19 -0.55 0.98 0.00 0.00 173.24 173.84 3lqa s SER 192 N -0.61 3.47 -0.06 7.02 0.15 -1.04 -1.86 113.70 120.76 3lqa s SER 192 Ca 0.10 -0.49 0.02 0.00 0.70 0.00 0.00 55.95 56.29 3lqa s SER 192 Cb -0.10 -1.50 0.01 0.00 -1.71 0.00 0.00 66.02 62.72 3lqa s SER 192 CO -0.01 0.13 -0.12 -0.69 1.20 0.00 0.00 173.24 173.75 3lqa s VAL 193 N 0.53 1.14 -0.01 4.45 1.01 -0.79 -1.32 120.40 125.42 3lqa s VAL 193 Ca -0.12 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.42 3lqa s VAL 193 Cb -0.16 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 3lqa s VAL 193 CO 0.04 0.36 -0.13 0.54 0.00 0.00 0.00 175.10 175.91 3lqa s VAL 194 N 0.66 1.02 -0.02 2.92 0.11 -1.01 -2.96 120.40 121.11 3lqa s VAL 194 Ca -0.15 -0.56 -0.01 0.00 -2.93 0.00 0.00 61.98 58.34 3lqa s VAL 194 Cb -0.16 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 3lqa s VAL 194 CO 0.04 0.29 0.06 0.42 -3.33 0.00 0.00 175.10 172.57 3lqa s THR 195 N -0.31 4.59 0.07 5.04 -4.23 -1.21 -1.77 115.64 117.82 3lqa s THR 195 Ca 0.05 -0.39 -0.00 0.00 -1.18 0.00 0.00 61.69 60.17 3lqa s THR 195 Cb -0.05 -3.06 -0.04 0.00 1.34 0.00 0.00 72.50 70.69 3lqa s THR 195 CO -0.00 0.41 -0.04 0.68 -0.54 0.00 0.00 174.62 175.12 3lqa s VAL 196 N -1.12 0.39 0.38 2.29 -7.23 0.74 -4.88 120.40 110.98 3lqa s VAL 196 Ca 0.20 -1.85 -0.27 0.00 -1.81 0.00 0.00 61.98 58.25 3lqa s VAL 196 Cb -0.12 -1.58 -0.09 0.00 0.56 0.00 0.00 36.38 35.15 3lqa s VAL 196 CO 0.11 -0.95 1.27 -2.16 -0.31 0.00 0.00 175.10 173.06 3lqa s PRO 197 N -3.89 4.10 0.25 4.82 0.04 -1.26 0.10 135.00 139.17 3lqa s PRO 197 Ca 0.09 2.11 -0.06 0.00 0.04 0.00 0.00 61.00 63.17 3lqa s PRO 197 Cb 0.07 -2.84 0.26 0.00 0.04 0.00 0.00 34.50 32.03 3lqa s PRO 197 CO -0.08 -0.36 1.92 0.77 0.04 0.00 0.00 177.00 179.29 3lqa h SER 198 N 2.89 1.16 -0.72 6.66 0.02 1.01 -2.93 113.55 121.63 3lqa h SER 198 Ca -0.49 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 3lqa h SER 198 Cb 1.24 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 63.45 3lqa h SER 198 CO 0.63 0.85 0.47 0.77 -1.14 0.00 0.00 176.83 178.41 3lqa h SER 199 N 1.36 0.84 -1.00 3.07 4.64 -1.92 -0.53 113.55 119.99 3lqa h SER 199 Ca 0.37 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.67 3lqa h SER 199 Cb -0.14 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 61.69 3lqa h SER 199 CO -0.08 0.62 0.67 -1.28 -0.87 0.00 0.00 176.83 175.88 3lqa h SER 200 N 0.98 1.15 -1.01 4.97 0.87 -1.87 -3.37 113.55 115.28 3lqa h SER 200 Ca 0.26 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.81 3lqa h SER 200 Cb -0.10 -0.29 -0.05 0.00 -0.44 0.00 0.00 62.40 61.52 3lqa h SER 200 CO -0.06 0.83 0.67 -0.07 -0.53 0.00 0.00 176.83 177.68 3lqa h LEU 201 N 1.36 1.16 -0.02 2.23 3.38 -1.02 1.18 115.31 123.57 3lqa h LEU 201 Ca 0.37 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 3lqa h LEU 201 Cb -0.16 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.31 3lqa h LEU 201 CO -0.08 0.84 0.00 1.23 0.09 0.00 0.00 178.44 180.52 3lqa h GLY 202 N 1.37 0.03 1.15 0.83 0.00 -1.72 -3.31 103.07 101.41 3lqa h GLY 202 Ca 0.37 -0.02 -0.16 0.00 0.00 0.00 0.00 47.33 47.52 3lqa h GLY 202 CO -0.08 0.02 -0.40 -0.91 0.00 0.00 0.00 176.54 175.17 3lqa h THR 203 N -0.22 1.27 -3.28 4.70 1.35 -1.71 -3.45 112.91 111.56 3lqa h THR 203 Ca 0.01 -1.58 -0.61 0.00 -0.55 0.00 0.00 66.41 63.68 3lqa h THR 203 Cb 0.26 1.40 -0.15 0.00 -1.73 0.00 0.00 68.15 67.94 3lqa h THR 203 CO 0.00 0.53 -0.54 -1.58 -0.25 0.00 0.00 175.52 173.67 3lqa s GLN 204 N -4.37 4.03 -0.04 4.72 2.00 0.40 -5.11 119.66 121.29 3lqa s GLN 204 Ca -0.11 -0.31 -0.04 0.00 -2.00 0.00 0.00 55.36 52.90 3lqa s GLN 204 Cb 0.11 -3.27 -0.04 0.00 0.80 0.00 0.00 33.01 30.61 3lqa s GLN 204 CO 0.88 0.29 0.17 0.95 -0.50 0.00 0.00 175.29 177.08 3lqa s THR 205 N 0.35 5.45 -0.10 -0.34 -4.23 -1.26 -4.61 115.64 110.91 3lqa s THR 205 Ca 0.04 -0.05 0.04 0.00 -1.18 0.00 0.00 61.69 60.54 3lqa s THR 205 Cb -0.12 -3.49 -0.00 0.00 1.34 0.00 0.00 72.50 70.22 3lqa s THR 205 CO -0.01 0.42 -0.23 -0.31 -0.54 0.00 0.00 174.62 173.95 3lqa s TYR 206 N -1.23 2.57 -0.10 3.99 2.02 -1.26 -5.06 117.35 118.27 3lqa s TYR 206 Ca 0.23 -0.96 0.04 0.00 -0.37 0.00 0.00 57.07 56.02 3lqa s TYR 206 Cb -0.12 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 3lqa s TYR 206 CO 0.14 -0.37 -0.24 0.42 -1.57 0.00 0.00 175.55 173.94 3lqa s ILE 207 N 0.26 2.07 0.03 2.71 1.01 -1.26 -2.10 121.20 123.93 3lqa s ILE 207 Ca -0.16 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 59.53 3lqa s ILE 207 Cb -0.17 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 3lqa s ILE 207 CO 0.08 0.56 -0.13 0.00 0.00 0.00 0.00 174.94 175.45 3lqa s ASN 209 N -1.52 3.25 -0.10 0.00 0.01 0.14 -1.39 114.94 115.34 3lqa s ASN 209 Ca 0.16 -0.47 0.04 0.00 -0.71 0.00 0.00 52.86 51.88 3lqa s ASN 209 Cb -0.11 -1.00 0.00 0.00 0.41 0.00 0.00 41.25 40.55 3lqa s ASN 209 CO 0.07 0.23 -0.24 -0.69 -1.51 0.00 0.00 177.10 174.97 3lqa s VAL 210 N -0.09 2.04 -0.10 1.60 1.01 0.48 -2.24 120.40 123.10 3lqa s VAL 210 Ca -0.05 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 60.96 3lqa s VAL 210 Cb -0.14 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.47 3lqa s VAL 210 CO 0.04 0.56 -0.24 0.21 0.00 0.00 0.00 175.10 175.67 3lqa s ASN 211 N 0.35 3.09 -0.23 3.32 3.84 -0.33 -0.87 114.94 124.11 3lqa s ASN 211 Ca -0.19 -0.56 -0.04 0.00 0.21 0.00 0.00 52.86 52.29 3lqa s ASN 211 Cb -0.18 -1.41 0.08 0.00 -0.55 0.00 0.00 41.25 39.19 3lqa s ASN 211 CO 0.09 0.16 0.09 -2.28 -2.79 0.00 0.00 177.10 172.36 3lqa s HIS 212 N 0.34 0.67 0.17 0.43 2.46 -0.40 -1.85 115.29 117.10 3lqa s HIS 212 Ca -0.19 -0.81 -0.16 0.00 0.47 0.00 0.00 55.06 54.37 3lqa s HIS 212 Cb -0.18 -0.98 0.12 0.00 -0.13 0.00 0.00 32.58 31.41 3lqa s HIS 212 CO 0.09 -0.67 1.66 0.87 -2.47 0.00 0.00 174.74 174.22 3lqa h LYS 213 N 8.32 0.00 0.16 2.88 1.79 -1.85 0.34 116.57 128.22 3lqa h LYS 213 Ca -0.16 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.30 3lqa h LYS 213 Cb 1.09 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.73 3lqa h LYS 213 CO 0.37 0.00 -0.11 -1.35 -1.08 0.00 0.00 179.45 177.28 3lqa h PRO 214 N 0.00 -0.26 -1.00 3.15 0.11 -1.88 -2.41 132.00 129.70 3lqa h PRO 214 Ca 0.21 0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.35 3lqa h PRO 214 Cb 0.32 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.44 3lqa h PRO 214 CO -0.45 -0.17 0.66 0.77 -0.21 0.00 0.00 178.00 178.60 3lqa h SER 215 N -0.27 1.15 -5.70 -2.05 0.02 -1.85 -3.48 113.55 101.38 3lqa h SER 215 Ca -0.01 -0.03 -0.39 0.00 -0.84 0.00 0.00 61.79 60.52 3lqa h SER 215 Cb 0.23 -0.29 0.14 0.00 0.14 0.00 0.00 62.40 62.62 3lqa h SER 215 CO 0.01 0.84 -0.66 -3.20 -1.14 0.00 0.00 176.83 172.67 3lqa n ASN 216 N -4.38 -6.14 -4.17 3.07 5.15 0.11 -4.82 115.26 104.09 3lqa n ASN 216 Ca 0.12 -0.53 -0.19 0.00 -0.60 0.00 0.00 54.58 53.38 3lqa n ASN 216 Cb 0.01 -4.90 -0.12 0.00 -0.53 0.00 0.00 39.78 34.23 3lqa n ASN 216 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3lqa s THR 217 N -3.31 1.16 -0.07 -0.44 -4.23 -0.85 -4.98 115.64 102.92 3lqa s THR 217 Ca 0.55 -1.21 0.02 0.00 -1.18 0.00 0.00 61.69 59.87 3lqa s THR 217 Cb -0.24 -1.09 0.01 0.00 1.34 0.00 0.00 72.50 72.52 3lqa s THR 217 CO 0.71 -0.13 -0.13 -0.75 -0.54 0.00 0.00 174.62 173.78 3lqa s LYS 218 N -1.53 1.85 -0.09 3.99 2.20 -1.26 -1.28 119.74 123.63 3lqa s LYS 218 Ca -0.00 -0.46 0.03 0.00 -0.36 0.00 0.00 55.97 55.18 3lqa s LYS 218 Cb -0.09 -1.51 0.00 0.00 -1.51 0.00 0.00 37.83 34.72 3lqa s LYS 218 CO 0.02 0.04 -0.20 0.08 -0.36 0.00 0.00 175.35 174.93 3lqa s VAL 219 N 0.64 1.71 -0.06 4.02 1.01 -0.04 -5.00 120.40 122.69 3lqa s VAL 219 Ca -0.15 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.08 3lqa s VAL 219 Cb -0.16 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 3lqa s VAL 219 CO 0.04 0.48 -0.25 1.51 0.00 0.00 0.00 175.10 176.88 3lqa s ASP 220 N 0.47 3.08 -0.00 3.32 1.47 -1.26 -0.39 116.67 123.35 3lqa s ASP 220 Ca -0.17 -0.51 0.00 0.00 1.18 0.00 0.00 52.55 53.05 3lqa s ASP 220 Cb -0.17 -0.82 0.00 0.00 -0.34 0.00 0.00 42.92 41.59 3lqa s ASP 220 CO 0.07 0.25 -0.00 -0.75 0.68 0.00 0.00 175.17 175.41 3lqa s LYS 221 N -0.18 0.04 -0.12 2.11 2.20 -0.49 -4.97 119.74 118.33 3lqa s LYS 221 Ca -0.03 -0.01 -0.07 0.00 -0.36 0.00 0.00 55.97 55.50 3lqa s LYS 221 Cb -0.14 -0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.09 3lqa s LYS 221 CO 0.03 0.00 0.14 0.21 -0.36 0.00 0.00 175.35 175.38 3lqa s LYS 222 N 0.06 3.44 -0.22 4.03 2.20 -1.26 -1.83 119.74 126.16 3lqa s LYS 222 Ca -0.00 -0.13 -0.05 0.00 -0.36 0.00 0.00 55.97 55.43 3lqa s LYS 222 Cb -0.01 -3.19 -0.02 0.00 -1.51 0.00 0.00 37.83 33.10 3lqa s LYS 222 CO -0.00 0.78 -0.01 0.08 -0.36 0.00 0.00 175.35 175.84 3lqa s VAL 223 N -1.03 3.69 -0.23 4.02 1.01 -0.89 -4.96 120.40 122.02 3lqa s VAL 223 Ca 0.15 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 3lqa s VAL 223 Cb -0.12 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 3lqa s VAL 223 CO 0.04 0.41 -0.01 -0.70 0.00 0.00 0.00 175.10 174.83 3lqa s GLU 224 N 1.40 3.45 0.00 2.72 2.12 -1.26 -4.41 118.70 122.72 3lqa s GLU 224 Ca 0.05 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 54.79 3lqa s GLU 224 Cb -0.15 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.15 3lqa s GLU 224 CO -0.01 -0.19 0.27 -0.35 -0.54 0.00 0.00 175.26 174.44