#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lgq n GLN 14 N 0.00 0.00 -2.59 2.12 7.27 -1.26 -4.64 117.38 118.27 1lgq n GLN 14 Ca 0.00 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.64 1lgq n GLN 14 Cb 0.00 -0.98 -0.02 0.00 2.41 0.00 0.00 30.24 31.64 1lgq n GLN 14 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1lgq s PRO 15 N -1.42 4.36 0.02 3.69 0.04 -1.26 -4.63 135.00 135.81 1lgq s PRO 15 Ca 0.48 1.50 0.22 0.00 0.04 0.00 0.00 61.00 63.24 1lgq s PRO 15 Cb -0.35 -3.58 -0.08 0.00 0.04 0.00 0.00 34.50 30.53 1lgq s PRO 15 CO 0.72 -0.43 0.90 -2.67 0.04 0.00 0.00 177.00 175.57 1lgq n TRP 16 N 5.36 0.16 -3.84 0.56 4.27 -0.69 -4.98 117.44 118.27 1lgq n TRP 16 Ca 0.10 0.05 -0.06 0.00 -3.89 0.00 0.00 57.50 53.70 1lgq n TRP 16 Cb 0.47 -0.35 0.02 0.00 -1.36 0.00 0.00 31.31 30.09 1lgq n TRP 16 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 1lgq s GLY 17 N -3.67 0.27 0.08 -1.67 0.00 -1.25 -5.04 107.32 96.04 1lgq s GLY 17 Ca 0.03 -0.59 -0.15 0.00 0.00 0.00 0.00 44.72 44.01 1lgq s GLY 17 CO 0.84 0.92 0.34 1.09 0.00 0.00 0.00 173.10 176.28 1lgq s ARG 18 N -2.20 0.92 0.04 2.90 1.70 -1.26 -1.02 118.95 120.03 1lgq s ARG 18 Ca 0.18 -0.61 0.06 0.00 -0.47 0.00 0.00 55.73 54.90 1lgq s ARG 18 Cb -0.04 0.40 -0.02 0.00 -0.57 0.00 0.00 34.95 34.71 1lgq s ARG 18 CO 0.09 -0.32 -0.18 -0.51 -1.08 0.00 0.00 175.30 173.30 1lgq s LEU 19 N -2.41 2.17 -0.06 -1.89 1.43 -0.07 -4.93 118.68 112.92 1lgq s LEU 19 Ca -0.01 -0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1lgq s LEU 19 Cb 0.01 -0.83 0.03 0.00 0.03 0.00 0.00 46.19 45.42 1lgq s LEU 19 CO -0.07 0.11 -0.02 -0.22 0.23 0.00 0.00 176.35 176.38 1lgq s LEU 20 N -1.20 0.92 0.06 1.79 2.96 -1.26 0.00 118.68 121.96 1lgq s LEU 20 Ca 0.05 -0.11 -0.31 0.00 -0.22 0.00 0.00 54.13 53.54 1lgq s LEU 20 Cb -0.08 -0.46 -0.07 0.00 0.50 0.00 0.00 46.19 46.07 1lgq s LEU 20 CO 0.02 -0.13 1.51 -0.60 -1.32 0.00 0.00 176.35 175.82 1lgq s ARG 21 N 1.53 4.25 0.33 1.98 6.06 -1.26 -5.00 118.95 126.85 1lgq s ARG 21 Ca -0.01 2.16 -0.03 0.00 -2.50 0.00 0.00 55.73 55.35 1lgq s ARG 21 Cb -0.13 -3.48 -0.04 0.00 0.06 0.00 0.00 34.95 31.35 1lgq s ARG 21 CO -0.03 -0.61 0.57 -0.51 -2.50 0.00 0.00 175.30 172.21 1lgq s LEU 22 N 2.14 4.00 -0.74 -0.88 1.43 -1.26 -4.39 118.68 118.97 1lgq s LEU 22 Ca 0.68 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1lgq s LEU 22 Cb -0.37 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.39 1lgq s LEU 22 CO 0.30 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1lgq n GLY 23 N -1.42 0.70 3.82 -3.19 0.00 -1.26 -5.03 105.19 98.81 1lgq n GLY 23 Ca -0.03 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 1lgq n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lgq s ALA 24 N -2.30 3.87 0.92 4.61 0.00 -1.26 -5.10 121.76 122.50 1lgq s ALA 24 Ca 0.00 -1.97 -0.12 0.00 0.00 0.00 0.00 51.96 49.87 1lgq s ALA 24 Cb 0.00 -0.77 0.08 0.00 0.00 0.00 0.00 23.12 22.43 1lgq s ALA 24 CO 0.00 -0.20 0.73 0.39 0.00 0.00 0.00 175.76 176.68 1lgq n GLU 25 N -1.42 -0.29 -1.96 0.00 -0.58 -1.26 -4.91 120.64 110.23 1lgq n GLU 25 Ca 0.02 -0.03 -0.37 0.00 -0.42 0.00 0.00 57.16 56.36 1lgq n GLU 25 Cb 0.63 -2.08 0.04 0.00 -0.57 0.00 0.00 31.44 29.45 1lgq n GLU 25 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1lgq s GLU 26 N -3.98 3.02 0.00 3.49 2.02 -1.26 -3.24 118.70 118.76 1lgq s GLU 26 Ca 0.62 1.93 0.00 0.00 0.02 0.00 0.00 54.97 57.54 1lgq s GLU 26 Cb -0.23 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 31.97 1lgq s GLU 26 CO 0.62 -1.19 0.00 0.41 0.02 0.00 0.00 175.26 175.12 1lgq n GLY 27 N 0.61 0.87 3.69 -1.39 0.00 -1.26 -5.04 105.19 102.67 1lgq n GLY 27 Ca 0.13 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1lgq n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lgq s GLU 28 N -0.74 4.21 0.36 1.61 2.56 -1.20 -4.97 118.70 120.53 1lgq s GLU 28 Ca 0.00 2.28 -0.25 0.00 0.00 0.00 0.00 54.97 57.00 1lgq s GLU 28 Cb 0.00 -3.59 -0.09 0.00 2.00 0.00 0.00 34.13 32.45 1lgq s GLU 28 CO 0.00 -0.71 1.01 -2.14 -0.56 0.00 0.00 175.26 172.86 1lgq s PRO 29 N 2.58 4.39 0.45 4.30 0.02 -1.26 -4.99 135.00 140.48 1lgq s PRO 29 Ca 0.72 1.46 -0.22 0.00 0.02 0.00 0.00 61.00 62.98 1lgq s PRO 29 Cb -0.39 -2.71 -0.09 0.00 0.02 0.00 0.00 34.50 31.33 1lgq s PRO 29 CO 0.31 0.07 1.02 -1.01 -0.33 0.00 0.00 177.00 177.07 1lgq s HIS 30 N -1.60 3.15 -0.29 6.54 3.76 -1.26 -4.68 115.29 120.91 1lgq s HIS 30 Ca 0.53 1.61 -0.12 0.00 -0.15 0.00 0.00 55.06 56.93 1lgq s HIS 30 Cb -0.21 -3.04 -0.04 0.00 1.11 0.00 0.00 32.58 30.39 1lgq s HIS 30 CO 0.27 -0.61 0.22 0.08 -0.85 0.00 0.00 174.74 173.84 1lgq s VAL 31 N -1.91 5.29 -0.11 -0.90 1.01 0.10 -4.92 120.40 118.96 1lgq s VAL 31 Ca 0.63 0.12 -0.21 0.00 0.00 0.00 0.00 61.98 62.52 1lgq s VAL 31 Cb -0.17 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1lgq s VAL 31 CO 0.21 0.18 0.60 -0.76 0.00 0.00 0.00 175.10 175.33 1lgq s LEU 32 N 1.78 4.27 -0.58 3.92 1.43 -1.26 -0.89 118.68 127.35 1lgq s LEU 32 Ca 0.08 0.98 -0.21 0.00 -1.03 0.00 0.00 54.13 53.95 1lgq s LEU 32 Cb -0.16 -2.90 0.07 0.00 0.03 0.00 0.00 46.19 43.23 1lgq s LEU 32 CO 0.11 -0.10 0.80 -0.76 0.23 0.00 0.00 176.35 176.64 1lgq s LEU 33 N 0.92 4.74 -0.03 1.79 1.43 -0.19 -4.86 118.68 122.49 1lgq s LEU 33 Ca 0.31 -0.97 0.15 0.00 -1.03 0.00 0.00 54.13 52.60 1lgq s LEU 33 Cb -0.16 -2.47 0.46 0.00 0.03 0.00 0.00 46.19 44.05 1lgq s LEU 33 CO 0.14 -1.18 1.39 0.54 0.23 0.00 0.00 176.35 177.47 1lgq n ARG 34 N 6.91 2.94 -4.18 1.70 1.74 -1.26 -1.71 116.66 122.79 1lgq n ARG 34 Ca -0.05 -2.37 -0.16 0.00 -0.77 0.00 0.00 57.85 54.49 1lgq n ARG 34 Cb 0.45 -1.46 -0.12 0.00 -1.02 0.00 0.00 32.46 30.30 1lgq n ARG 34 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1lgq s LYS 35 N -1.24 0.69 0.43 5.56 1.02 -1.26 -4.33 119.74 120.61 1lgq s LYS 35 Ca 0.35 -0.73 0.14 0.00 0.02 0.00 0.00 55.97 55.74 1lgq s LYS 35 Cb 0.20 -0.60 1.03 0.00 -0.52 0.00 0.00 37.83 37.94 1lgq s LYS 35 CO 0.21 0.14 1.98 0.00 -0.92 0.00 0.00 175.35 176.76 1lgq h ARG 36 N 4.76 0.39 -5.65 1.68 2.47 -1.93 -3.40 114.38 112.70 1lgq h ARG 36 Ca -0.37 -0.02 -0.66 0.00 -1.26 0.00 0.00 59.98 57.68 1lgq h ARG 36 Cb 1.19 -0.09 -0.32 0.00 -1.65 0.00 0.00 29.97 29.10 1lgq h ARG 36 CO 0.43 0.26 -0.87 -1.83 0.56 0.00 0.00 179.97 178.52 1lgq s GLU 37 N -5.39 2.48 -0.25 0.04 -1.05 -1.26 -1.84 118.70 111.43 1lgq s GLU 37 Ca -0.08 -0.82 -0.01 0.00 -0.15 0.00 0.00 54.97 53.91 1lgq s GLU 37 Cb 0.20 -2.04 0.07 0.00 -0.44 0.00 0.00 34.13 31.92 1lgq s GLU 37 CO 0.75 0.29 0.03 -0.46 0.95 0.00 0.00 175.26 176.82 1lgq s TRP 38 N 0.03 1.67 0.28 4.83 -0.11 0.20 -4.99 118.94 120.86 1lgq s TRP 38 Ca -0.08 -1.44 -0.17 0.00 1.22 0.00 0.00 56.10 55.64 1lgq s TRP 38 Cb -0.14 -1.45 -0.09 0.00 -1.50 0.00 0.00 33.47 30.29 1lgq s TRP 38 CO 0.05 -0.75 0.74 0.95 -4.62 0.00 0.00 176.95 173.31 1lgq s THR 39 N 1.63 4.62 -0.05 5.86 -4.23 -1.26 -0.79 115.64 121.43 1lgq s THR 39 Ca 0.02 1.11 0.01 0.00 -1.18 0.00 0.00 61.69 61.65 1lgq s THR 39 Cb -0.18 -3.72 0.02 0.00 1.34 0.00 0.00 72.50 69.97 1lgq s THR 39 CO -0.13 -0.02 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.24 1lgq s ILE 40 N -1.79 0.65 -0.00 2.99 1.01 0.15 -2.11 121.20 122.10 1lgq s ILE 40 Ca 0.50 -0.20 -0.18 0.00 0.00 0.00 0.00 60.65 60.77 1lgq s ILE 40 Cb -0.13 -0.65 0.06 0.00 0.01 0.00 0.00 42.46 41.75 1lgq s ILE 40 CO 0.19 0.25 0.82 0.61 0.00 0.00 0.00 174.94 176.81 1lgq n GLY 41 N 3.96 0.40 0.14 6.18 0.00 -0.93 0.27 105.19 115.22 1lgq n GLY 41 Ca -0.25 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 1lgq n GLY 41 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1lgq h ARG 42 N 0.00 0.35 -6.63 1.61 2.43 -0.34 -0.52 114.38 111.27 1lgq h ARG 42 Ca -0.14 -0.41 -0.58 0.00 -0.81 0.00 0.00 59.98 58.04 1lgq h ARG 42 Cb 0.77 0.12 0.09 0.00 -0.42 0.00 0.00 29.97 30.53 1lgq h ARG 42 CO 0.21 1.10 0.56 0.54 -1.51 0.00 0.00 179.97 180.87 1lgq n ARG 43 N -3.69 2.04 0.26 0.20 5.12 -0.92 -2.67 116.66 116.99 1lgq n ARG 43 Ca -0.06 0.72 0.18 0.00 -1.93 0.00 0.00 57.85 56.75 1lgq n ARG 43 Cb 0.86 -2.34 0.88 0.00 -1.16 0.00 0.00 32.46 30.69 1lgq n ARG 43 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1lgq h ARG 44 N 3.63 0.00 0.00 5.56 9.65 -1.91 -2.71 114.38 128.61 1lgq h ARG 44 Ca -0.45 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.31 1lgq h ARG 44 Cb 1.28 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.84 1lgq h ARG 44 CO 0.71 0.00 -0.55 0.78 2.80 0.00 0.00 179.97 183.71 1lgq h GLY 45 N 0.63 0.00 -2.29 2.80 0.00 -1.95 -3.47 103.07 98.79 1lgq h GLY 45 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1lgq h GLY 45 CO 0.00 0.00 0.13 0.00 0.00 0.00 0.00 176.54 176.67 1lgq h ASP 47 N -0.00 0.43 -3.48 0.00 3.32 -1.76 -3.33 116.42 111.59 1lgq h ASP 47 Ca -0.48 -0.07 -0.63 0.00 0.02 0.00 0.00 57.03 55.87 1lgq h ASP 47 Cb 1.34 -0.11 -0.40 0.00 0.22 0.00 0.00 39.33 40.38 1lgq h ASP 47 CO 0.48 0.50 -0.74 -0.22 -1.72 0.00 0.00 179.24 177.54 1lgq s LEU 48 N -9.05 3.57 0.05 1.55 2.96 -0.90 -5.02 118.68 111.83 1lgq s LEU 48 Ca -0.07 -1.86 0.01 0.00 -0.22 0.00 0.00 54.13 51.99 1lgq s LEU 48 Cb 0.16 -1.29 -0.04 0.00 0.50 0.00 0.00 46.19 45.52 1lgq s LEU 48 CO 0.75 -0.38 0.09 -0.55 -1.32 0.00 0.00 176.35 174.94 1lgq s SER 49 N 1.23 5.66 -0.44 3.68 0.15 -1.25 -2.19 113.70 120.52 1lgq s SER 49 Ca 0.09 0.07 0.09 0.00 0.70 0.00 0.00 55.95 56.91 1lgq s SER 49 Cb -0.18 -1.58 0.32 0.00 -1.71 0.00 0.00 66.02 62.87 1lgq s SER 49 CO -0.15 0.21 0.74 0.49 1.20 0.00 0.00 173.24 175.73 1lgq n PHE 50 N 0.73 1.22 0.01 3.44 3.01 -0.20 -4.98 117.46 120.68 1lgq n PHE 50 Ca -0.10 -3.84 0.23 0.00 1.01 0.00 0.00 57.45 54.75 1lgq n PHE 50 Cb 0.52 -0.43 0.69 0.00 -0.01 0.00 0.00 39.48 40.25 1lgq n PHE 50 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1lgq h PRO 51 N 3.29 0.00 0.00 -1.08 0.13 -1.77 -1.54 132.00 131.03 1lgq h PRO 51 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1lgq h PRO 51 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1lgq h PRO 51 CO 0.59 0.00 -1.31 0.43 -0.23 0.00 0.00 178.00 177.48 1lgq n SER 52 N -3.65 0.52 -4.60 1.44 7.64 -1.26 -4.86 113.62 108.85 1lgq n SER 52 Ca 0.11 -0.26 -0.42 0.00 1.01 0.00 0.00 58.87 59.31 1lgq n SER 52 Cb 0.82 1.17 -0.05 0.00 -1.01 0.00 0.00 64.21 65.15 1lgq n SER 52 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1lgq s ASN 53 N -4.03 6.62 0.19 6.43 3.84 -0.58 -4.89 114.94 122.52 1lgq s ASN 53 Ca 0.01 0.51 0.26 0.00 0.21 0.00 0.00 52.86 53.85 1lgq s ASN 53 Cb 0.14 -2.42 0.87 0.00 -0.55 0.00 0.00 41.25 39.30 1lgq s ASN 53 CO 0.85 -0.73 1.78 1.17 -2.79 0.00 0.00 177.10 177.38 1lgq n LYS 54 N 6.45 0.22 -0.04 0.43 4.81 -1.26 -3.17 118.16 125.60 1lgq n LYS 54 Ca 0.04 0.22 0.12 0.00 -0.87 0.00 0.00 58.31 57.82 1lgq n LYS 54 Cb 0.48 -1.78 0.50 0.00 0.02 0.00 0.00 35.03 34.26 1lgq n LYS 54 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1lgq n LEU 55 N -2.17 1.23 -4.42 3.14 4.77 -1.26 -4.78 117.00 113.51 1lgq n LEU 55 Ca 0.05 -0.47 -0.35 0.00 -0.03 0.00 0.00 56.01 55.22 1lgq n LEU 55 Cb 0.39 -0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.31 1lgq n LEU 55 CO 0.29 0.24 -0.36 -0.69 -1.33 0.00 0.00 177.39 175.53 1lgq s VAL 56 N -1.91 3.72 0.88 4.08 1.01 -1.19 -5.05 120.40 121.95 1lgq s VAL 56 Ca 0.35 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 1lgq s VAL 56 Cb 0.18 -2.67 0.13 0.00 0.00 0.00 0.00 36.38 34.02 1lgq s VAL 56 CO 0.29 0.45 1.12 -0.44 0.00 0.00 0.00 175.10 176.51 1lgq s SER 57 N 0.93 3.34 0.19 3.32 0.01 -1.26 -4.21 113.70 116.03 1lgq s SER 57 Ca 0.00 1.96 -0.17 0.00 1.31 0.00 0.00 55.95 59.05 1lgq s SER 57 Cb -0.14 -2.50 0.16 0.00 0.21 0.00 0.00 66.02 63.75 1lgq s SER 57 CO 0.01 -2.80 1.62 1.23 0.41 0.00 0.00 173.24 173.72 1lgq h GLY 58 N -1.66 0.21 -7.63 3.44 0.00 -1.94 0.16 103.07 95.66 1lgq h GLY 58 Ca -0.45 0.26 -0.61 0.00 0.00 0.00 0.00 47.33 46.53 1lgq h GLY 58 CO 0.46 -0.22 -0.78 -0.35 0.00 0.00 0.00 176.54 175.65 1lgq s ASP 59 N -5.18 3.86 -0.14 0.19 -1.08 -1.26 -2.17 116.67 110.89 1lgq s ASP 59 Ca -0.14 -1.20 -0.13 0.00 -0.52 0.00 0.00 52.55 50.55 1lgq s ASP 59 Cb 0.17 -1.18 -0.11 0.00 -1.46 0.00 0.00 42.92 40.35 1lgq s ASP 59 CO 0.71 -0.24 0.18 -0.74 0.52 0.00 0.00 175.17 175.60 1lgq h HIS 60 N 7.95 0.00 -3.15 -5.34 -0.00 -0.23 -3.30 115.15 111.09 1lgq h HIS 60 Ca -0.17 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.22 1lgq h HIS 60 Cb 1.07 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 28.43 1lgq h HIS 60 CO 0.49 0.53 0.16 0.00 -0.00 0.00 0.00 177.93 179.12 1lgq s ARG 62 N -3.62 0.33 -0.19 0.00 3.52 0.74 -0.68 118.95 119.05 1lgq s ARG 62 Ca 0.14 0.05 -0.09 0.00 -0.13 0.00 0.00 55.73 55.70 1lgq s ARG 62 Cb -0.05 -0.48 -0.05 0.00 -1.56 0.00 0.00 34.95 32.82 1lgq s ARG 62 CO 0.09 -0.11 0.12 0.42 -0.81 0.00 0.00 175.30 175.00 1lgq s ILE 63 N 0.91 5.34 0.01 4.11 1.01 0.03 0.01 121.20 132.62 1lgq s ILE 63 Ca -0.09 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1lgq s ILE 63 Cb -0.13 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 1lgq s ILE 63 CO -0.01 0.46 -0.02 -0.69 0.00 0.00 0.00 174.94 174.68 1lgq s VAL 64 N 0.20 0.08 -0.21 2.92 1.01 0.98 -0.63 120.40 124.75 1lgq s VAL 64 Ca 0.08 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1lgq s VAL 64 Cb -0.11 -0.14 0.03 0.00 0.00 0.00 0.00 36.38 36.15 1lgq s VAL 64 CO -0.01 -0.20 -0.15 0.54 0.00 0.00 0.00 175.10 175.28 1lgq s VAL 65 N -0.62 2.28 0.04 2.92 0.11 -0.77 0.24 120.40 124.59 1lgq s VAL 65 Ca -0.07 -1.11 -0.30 0.00 -2.93 0.00 0.00 61.98 57.57 1lgq s VAL 65 Cb -0.04 -2.09 -0.08 0.00 -1.53 0.00 0.00 36.38 32.63 1lgq s VAL 65 CO -0.00 0.34 1.85 -0.62 -3.33 0.00 0.00 175.10 173.33 1lgq s ASP 66 N 1.26 6.50 0.37 3.54 3.68 -0.17 -4.88 116.67 126.97 1lgq s ASP 66 Ca 0.01 2.58 0.05 0.00 2.13 0.00 0.00 52.55 57.32 1lgq s ASP 66 Cb -0.15 -2.54 0.73 0.00 -1.45 0.00 0.00 42.92 39.51 1lgq s ASP 66 CO -0.09 -1.00 2.00 1.05 0.13 0.00 0.00 175.17 177.26 1lgq h GLU 67 N 9.83 0.73 0.03 4.34 4.11 -1.95 0.17 114.58 131.83 1lgq h GLU 67 Ca -0.46 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 58.92 1lgq h GLU 67 Cb 1.22 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1lgq h GLU 67 CO 0.94 0.48 -0.01 -0.22 0.07 0.00 0.00 179.01 180.27 1lgq h LYS 68 N 0.75 -0.04 0.00 1.06 1.63 -1.98 -3.40 116.57 114.59 1lgq h LYS 68 Ca 0.25 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.89 1lgq h LYS 68 Cb 0.06 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 1lgq h LYS 68 CO -0.07 -0.02 -0.76 0.66 -3.45 0.00 0.00 179.45 175.81 1lgq h SER 69 N -0.15 0.00 0.00 4.20 4.64 -1.98 -3.47 113.55 116.79 1lgq h SER 69 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lgq h SER 69 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1lgq h SER 69 CO 0.01 0.76 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 1lgq n GLY 70 N 0.89 1.27 3.76 -0.77 0.00 0.60 -5.01 105.19 105.93 1lgq n GLY 70 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1lgq n GLY 70 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lgq s GLN 71 N -0.49 3.30 -0.12 1.61 -0.21 -1.26 -4.60 119.66 117.89 1lgq s GLN 71 Ca 0.00 1.82 -0.02 0.00 0.02 0.00 0.00 55.36 57.18 1lgq s GLN 71 Cb 0.00 -2.12 -0.03 0.00 1.00 0.00 0.00 33.01 31.86 1lgq s GLN 71 CO 0.00 -0.94 -0.05 0.08 -2.12 0.00 0.00 175.29 172.26 1lgq s VAL 72 N -1.58 3.83 0.09 1.09 1.01 -1.26 -1.00 120.40 122.58 1lgq s VAL 72 Ca 0.72 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.35 1lgq s VAL 72 Cb -0.30 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 1lgq s VAL 72 CO 0.34 0.54 -0.14 -0.89 0.00 0.00 0.00 175.10 174.95 1lgq s THR 73 N -0.11 1.16 -0.16 3.92 2.01 0.14 -4.98 115.64 117.63 1lgq s THR 73 Ca 0.02 -1.49 0.00 0.00 0.31 0.00 0.00 61.69 60.53 1lgq s THR 73 Cb -0.13 -1.27 0.03 0.00 0.01 0.00 0.00 72.50 71.14 1lgq s THR 73 CO 0.03 -0.34 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.26 1lgq s LEU 74 N -2.08 1.78 -0.22 4.42 0.20 -1.26 -0.01 118.68 121.51 1lgq s LEU 74 Ca 0.03 -0.56 -0.07 0.00 0.69 0.00 0.00 54.13 54.22 1lgq s LEU 74 Cb -0.07 -1.19 -0.03 0.00 -0.43 0.00 0.00 46.19 44.47 1lgq s LEU 74 CO 0.02 -0.07 0.05 -0.70 -0.29 0.00 0.00 176.35 175.36 1lgq s GLU 75 N 1.47 3.72 -0.01 1.98 2.12 0.10 -4.94 118.70 123.15 1lgq s GLU 75 Ca 0.04 -0.46 -0.20 0.00 0.36 0.00 0.00 54.97 54.71 1lgq s GLU 75 Cb -0.13 -3.23 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 1lgq s GLU 75 CO -0.10 -0.02 0.57 0.34 -0.54 0.00 0.00 175.26 175.51 1lgq s ASP 76 N 1.14 6.95 -0.02 -1.70 2.15 -1.26 -0.19 116.67 123.74 1lgq s ASP 76 Ca 0.04 1.13 0.04 0.00 0.43 0.00 0.00 52.55 54.18 1lgq s ASP 76 Cb -0.14 -2.35 0.05 0.00 -0.30 0.00 0.00 42.92 40.18 1lgq s ASP 76 CO 0.03 0.12 0.99 0.35 -0.17 0.00 0.00 175.17 176.48 1lgq n THR 77 N 2.69 0.38 -2.07 1.71 -2.24 0.34 -4.97 114.28 110.13 1lgq n THR 77 Ca -0.07 -0.45 -0.28 0.00 -2.27 0.00 0.00 64.05 60.98 1lgq n THR 77 Cb 0.51 0.40 0.12 0.00 -2.10 0.00 0.00 70.33 69.26 1lgq n THR 77 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1lgq s SER 78 N -1.28 4.03 0.22 3.42 1.04 0.17 -4.68 113.70 116.62 1lgq s SER 78 Ca 0.06 0.37 0.17 0.00 0.48 0.00 0.00 55.95 57.04 1lgq s SER 78 Cb 0.05 -0.72 0.02 0.00 0.10 0.00 0.00 66.02 65.48 1lgq s SER 78 CO 0.01 -2.14 1.22 0.71 0.98 0.00 0.00 173.24 174.01 1lgq h THR 79 N -1.11 0.54 0.00 2.02 1.35 -1.90 -3.37 112.91 110.44 1lgq h THR 79 Ca -0.44 -1.85 0.00 0.00 -0.55 0.00 0.00 66.41 63.57 1lgq h THR 79 Cb 1.28 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.84 1lgq h THR 79 CO 0.51 0.31 0.00 -1.54 -0.25 0.00 0.00 175.52 174.55 1lgq n SER 80 N -3.04 1.17 0.00 5.36 3.41 -1.26 -5.14 113.62 114.12 1lgq n SER 80 Ca -0.02 -1.29 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 1lgq n SER 80 Cb 0.72 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 1lgq n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lgq n GLY 81 N -0.15 1.01 3.03 5.00 0.00 -1.26 -5.03 105.19 107.80 1lgq n GLY 81 Ca 0.00 -1.98 -0.22 0.00 0.00 0.00 0.00 46.02 43.82 1lgq n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lgq s THR 82 N -1.88 0.95 -0.12 2.61 2.01 -1.26 -4.89 115.64 113.06 1lgq s THR 82 Ca 0.00 -0.44 -0.05 0.00 0.31 0.00 0.00 61.69 61.51 1lgq s THR 82 Cb 0.00 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 1lgq s THR 82 CO 0.00 0.29 0.07 -0.69 -0.69 0.00 0.00 174.62 173.60 1lgq s VAL 83 N 0.20 4.86 -0.10 3.82 1.01 -1.26 -5.09 120.40 123.85 1lgq s VAL 83 Ca -0.04 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1lgq s VAL 83 Cb -0.10 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.20 1lgq s VAL 83 CO 0.01 0.58 -0.12 -0.63 0.00 0.00 0.00 175.10 174.95 1lgq s ILE 84 N -0.70 1.21 -0.02 2.22 1.01 -1.26 -5.12 121.20 118.54 1lgq s ILE 84 Ca 0.12 -0.47 -0.22 0.00 0.00 0.00 0.00 60.65 60.09 1lgq s ILE 84 Cb -0.12 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.16 1lgq s ILE 84 CO 0.03 0.39 0.63 0.21 0.00 0.00 0.00 174.94 176.20 1lgq s ASN 85 N 1.13 6.99 0.07 3.58 2.47 -1.26 -5.07 114.94 122.86 1lgq s ASN 85 Ca -0.05 1.18 0.08 0.00 0.42 0.00 0.00 52.86 54.50 1lgq s ASN 85 Cb -0.14 -2.38 -0.03 0.00 -1.45 0.00 0.00 41.25 37.24 1lgq s ASN 85 CO -0.02 0.03 -0.23 -0.75 -3.72 0.00 0.00 177.10 172.41 1lgq s LYS 86 N 0.10 1.40 -0.62 0.43 2.47 -1.26 -5.08 119.74 117.18 1lgq s LYS 86 Ca 0.33 -1.09 -0.02 0.00 -1.56 0.00 0.00 55.97 53.63 1lgq s LYS 86 Cb -0.18 -1.63 0.16 0.00 -1.46 0.00 0.00 37.83 34.72 1lgq s LYS 86 CO 0.18 0.40 0.42 -0.51 0.16 0.00 0.00 175.35 176.00 1lgq s LEU 87 N -1.51 5.11 -0.03 5.43 2.01 -1.26 -5.08 118.68 123.35 1lgq s LEU 87 Ca 0.09 -2.91 -0.13 0.00 0.01 0.00 0.00 54.13 51.19 1lgq s LEU 87 Cb -0.10 -1.82 -0.05 0.00 0.01 0.00 0.00 46.19 44.23 1lgq s LEU 87 CO 0.03 -0.34 0.34 -0.75 1.01 0.00 0.00 176.35 176.64 1lgq s LYS 88 N -0.15 3.79 -0.22 1.70 2.20 -1.26 -5.08 119.74 120.73 1lgq s LYS 88 Ca 0.17 0.26 -0.05 0.00 -0.36 0.00 0.00 55.97 55.99 1lgq s LYS 88 Cb -0.21 -3.22 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 1lgq s LYS 88 CO -0.03 0.71 0.00 0.08 -0.36 0.00 0.00 175.35 175.75 1lgq s VAL 89 N -1.04 3.83 -0.30 4.02 1.01 -1.26 -5.08 120.40 121.57 1lgq s VAL 89 Ca 0.21 -0.34 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 1lgq s VAL 89 Cb -0.15 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 1lgq s VAL 89 CO 0.11 0.40 0.14 -0.69 0.00 0.00 0.00 175.10 175.06 1lgq s VAL 90 N 1.39 4.61 -0.21 2.92 1.01 -1.26 -5.06 120.40 123.80 1lgq s VAL 90 Ca 0.05 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1lgq s VAL 90 Cb -0.15 -3.31 0.05 0.00 0.00 0.00 0.00 36.38 32.97 1lgq s VAL 90 CO 0.00 0.12 -0.10 -0.54 0.00 0.00 0.00 175.10 174.58 1lgq s LYS 91 N 1.62 2.04 -1.34 2.72 1.02 -1.26 -4.80 119.74 119.74 1lgq s LYS 91 Ca 0.05 -0.90 -0.13 0.00 0.02 0.00 0.00 55.97 55.00 1lgq s LYS 91 Cb -0.17 -2.48 0.01 0.00 -0.52 0.00 0.00 37.83 34.67 1lgq s LYS 91 CO 0.06 -0.45 0.45 1.63 -0.92 0.00 0.00 175.35 176.12 1lgq n LYS 92 N 4.66 -1.48 -3.84 1.68 4.76 -1.26 -4.92 118.16 117.75 1lgq n LYS 92 Ca -0.15 0.24 -0.10 0.00 -2.87 0.00 0.00 58.31 55.44 1lgq n LYS 92 Cb 0.46 -3.67 0.02 0.00 -1.84 0.00 0.00 35.03 30.00 1lgq n LYS 92 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1lgq s GLN 93 N -6.90 2.25 0.35 1.97 -2.07 -1.26 -5.18 119.66 108.83 1lgq s GLN 93 Ca 0.22 -1.54 0.07 0.00 -1.82 0.00 0.00 55.36 52.29 1lgq s GLN 93 Cb -0.11 0.60 -0.02 0.00 -1.09 0.00 0.00 33.01 32.39 1lgq s GLN 93 CO 0.94 -1.04 0.32 -0.08 -1.32 0.00 0.00 175.29 174.10 1lgq s THR 94 N -2.22 3.34 -0.29 3.63 -1.32 -1.26 -5.06 115.64 112.46 1lgq s THR 94 Ca 0.18 -1.36 -0.20 0.00 -1.21 0.00 0.00 61.69 59.11 1lgq s THR 94 Cb -0.04 -3.14 0.15 0.00 -1.51 0.00 0.00 72.50 67.95 1lgq s THR 94 CO 0.13 -0.13 1.07 0.00 -2.21 0.00 0.00 174.62 173.48 1lgq s PRO 96 N 0.84 2.73 -0.04 0.00 0.04 -1.26 -5.03 135.00 132.28 1lgq s PRO 96 Ca -0.04 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.09 1lgq s PRO 96 Cb -0.04 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1lgq s PRO 96 CO -0.12 -1.45 -0.23 -0.51 0.04 0.00 0.00 177.00 174.73 1lgq s LEU 97 N -4.19 2.03 0.13 -3.56 1.43 -1.26 -5.14 118.68 108.12 1lgq s LEU 97 Ca 0.80 -0.44 0.07 0.00 -1.03 0.00 0.00 54.13 53.53 1lgq s LEU 97 Cb -0.36 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 1lgq s LEU 97 CO 0.39 0.25 -0.16 -1.10 0.23 0.00 0.00 176.35 175.96 1lgq s GLN 98 N -0.32 1.11 0.15 1.70 1.11 -1.26 -5.08 119.66 117.06 1lgq s GLN 98 Ca 0.03 -1.27 -0.33 0.00 0.01 0.00 0.00 55.36 53.79 1lgq s GLN 98 Cb -0.11 -1.09 -0.13 0.00 -1.01 0.00 0.00 33.01 30.66 1lgq s GLN 98 CO 0.01 0.22 1.65 2.41 0.01 0.00 0.00 175.29 179.59 1lgq n THR 99 N 0.56 0.08 0.00 -0.19 -1.04 -1.26 -1.24 114.28 111.19 1lgq n THR 99 Ca -0.15 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1lgq n THR 99 Cb 0.56 -1.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 1lgq n THR 99 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1lgq n GLY 100 N 3.66 2.94 3.77 3.41 0.00 0.16 -4.99 105.19 114.13 1lgq n GLY 100 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1lgq n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lgq s ASP 101 N -1.38 5.96 -0.19 1.61 1.11 -0.37 -4.78 116.67 118.64 1lgq s ASP 101 Ca 0.00 2.38 -0.01 0.00 0.18 0.00 0.00 52.55 55.10 1lgq s ASP 101 Cb 0.00 -2.61 -0.00 0.00 1.07 0.00 0.00 42.92 41.38 1lgq s ASP 101 CO 0.00 -1.07 -0.11 -0.69 1.18 0.00 0.00 175.17 174.48 1lgq s VAL 102 N -1.51 2.87 -0.22 -1.27 1.01 -1.26 -0.63 120.40 119.38 1lgq s VAL 102 Ca 0.66 -0.68 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 1lgq s VAL 102 Cb -0.30 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1lgq s VAL 102 CO 0.37 0.48 0.40 -0.63 0.00 0.00 0.00 175.10 175.72 1lgq s ILE 103 N 1.20 5.18 -0.44 2.22 -1.09 0.66 -4.90 121.20 124.03 1lgq s ILE 103 Ca 0.02 0.69 -0.09 0.00 -2.23 0.00 0.00 60.65 59.05 1lgq s ILE 103 Cb -0.14 -3.73 0.10 0.00 -1.58 0.00 0.00 42.46 37.11 1lgq s ILE 103 CO -0.05 0.21 0.29 -0.31 -1.23 0.00 0.00 174.94 173.86 1lgq s TYR 104 N 1.59 3.39 0.28 3.97 1.51 -1.26 -0.36 117.35 126.47 1lgq s TYR 104 Ca 0.18 -1.75 0.12 0.00 -1.01 0.00 0.00 57.07 54.62 1lgq s TYR 104 Cb -0.15 -3.21 0.47 0.00 -0.11 0.00 0.00 41.96 38.96 1lgq s TYR 104 CO 0.08 -0.92 1.67 -0.07 -1.11 0.00 0.00 175.55 175.20 1lgq h LEU 105 N 8.40 0.00 -7.48 -1.29 3.38 -1.35 -3.41 115.31 113.56 1lgq h LEU 105 Ca -0.21 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.34 1lgq h LEU 105 Cb 1.08 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.45 1lgq h LEU 105 CO 0.80 0.54 -0.76 -0.69 0.09 0.00 0.00 178.44 178.42 1lgq s VAL 106 N -3.72 0.28 -0.13 1.22 1.01 -1.23 -4.96 120.40 112.87 1lgq s VAL 106 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1lgq s VAL 106 Cb 0.13 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 36.09 1lgq s VAL 106 CO 0.74 0.23 -0.13 -0.47 0.00 0.00 0.00 175.10 175.48 1lgq s TYR 107 N 1.81 1.95 -0.26 5.22 5.04 -1.26 -2.00 117.35 127.85 1lgq s TYR 107 Ca 0.02 -1.04 0.00 0.00 -2.44 0.00 0.00 57.07 53.61 1lgq s TYR 107 Cb -0.12 -1.47 0.07 0.00 0.35 0.00 0.00 41.96 40.79 1lgq s TYR 107 CO -0.04 -0.60 0.00 1.03 -1.34 0.00 0.00 175.55 174.60 1lgq s ARG 108 N 1.47 1.29 0.27 4.97 1.81 -1.26 -5.03 118.95 122.46 1lgq s ARG 108 Ca 0.03 -1.05 -0.30 0.00 -1.72 0.00 0.00 55.73 52.69 1lgq s ARG 108 Cb -0.13 -2.48 -0.11 0.00 -0.45 0.00 0.00 34.95 31.77 1lgq s ARG 108 CO -0.09 -0.73 1.60 0.21 -0.68 0.00 0.00 175.30 175.62 1lgq s LYS 109 N 1.44 4.14 0.00 3.54 2.20 -1.26 -1.29 119.74 128.50 1lgq s LYS 109 Ca 0.00 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.16 1lgq s LYS 109 Cb -0.18 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1lgq s LYS 109 CO -0.11 -0.63 0.00 -1.71 -0.36 0.00 0.00 175.35 172.54 1lgq n ASN 110 N 2.56 0.00 -2.72 1.43 4.05 -1.26 -4.79 115.26 114.54 1lgq n ASN 110 Ca 0.10 0.00 -0.22 0.00 0.45 0.00 0.00 54.58 54.90 1lgq n ASN 110 Cb 0.37 -1.33 -0.01 0.00 1.23 0.00 0.00 39.78 40.05 1lgq n ASN 110 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1lgq n GLU 111 N -2.00 2.64 0.00 1.20 1.02 -0.42 -4.89 120.64 118.19 1lgq n GLU 111 Ca 0.00 -4.22 0.02 0.00 -0.02 0.00 0.00 57.16 52.93 1lgq n GLU 111 Cb 0.00 -1.99 0.07 0.00 -0.02 0.00 0.00 31.44 29.51 1lgq n GLU 111 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1lgq n PRO 112 N -0.25 0.01 0.19 3.49 -0.04 -1.22 -1.72 135.00 135.47 1lgq n PRO 112 Ca 0.29 0.39 0.05 0.00 -0.04 0.00 0.00 63.50 64.19 1lgq n PRO 112 Cb 0.62 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.95 1lgq n PRO 112 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1lgq h GLU 113 N 0.00 0.00 -0.02 0.54 3.07 -1.90 -2.75 114.58 113.53 1lgq h GLU 113 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1lgq h GLU 113 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1lgq h GLU 113 CO 0.00 0.37 -0.23 0.72 -1.40 0.00 0.00 179.01 178.47 1lgq n HIS 114 N -3.69 0.00 -2.27 4.33 8.25 -0.70 -4.95 115.22 116.18 1lgq n HIS 114 Ca -0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.09 1lgq n HIS 114 Cb 0.47 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.54 1lgq n HIS 114 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1lgq s ASN 115 N -2.29 6.01 -0.37 0.41 0.01 -1.04 -4.77 114.94 112.90 1lgq s ASN 115 Ca 0.25 2.24 0.02 0.00 -0.71 0.00 0.00 52.86 54.66 1lgq s ASN 115 Cb 0.19 -2.59 0.11 0.00 0.41 0.00 0.00 41.25 39.37 1lgq s ASN 115 CO 0.46 -1.03 0.14 -0.69 -1.51 0.00 0.00 177.10 174.47 1lgq s VAL 116 N -1.65 1.59 -0.05 1.60 1.01 -0.85 -4.96 120.40 117.10 1lgq s VAL 116 Ca 0.67 -2.16 0.05 0.00 0.00 0.00 0.00 61.98 60.54 1lgq s VAL 116 Cb -0.26 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1lgq s VAL 116 CO 0.31 -0.72 -0.18 0.00 0.00 0.00 0.00 175.10 174.50 1lgq s ALA 117 N 0.89 2.49 -0.10 5.51 0.00 -1.26 -0.75 121.76 128.54 1lgq s ALA 117 Ca 0.13 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1lgq s ALA 117 Cb -0.21 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.09 1lgq s ALA 117 CO -0.11 0.52 -0.09 0.71 0.00 0.00 0.00 175.76 176.79 1lgq s TYR 118 N -0.60 1.49 0.04 0.00 1.51 0.52 -4.96 117.35 115.35 1lgq s TYR 118 Ca 0.09 -0.68 -0.30 0.00 -1.01 0.00 0.00 57.07 55.17 1lgq s TYR 118 Cb -0.11 -1.18 -0.04 0.00 -0.11 0.00 0.00 41.96 40.52 1lgq s TYR 118 CO 0.01 -0.43 0.95 -1.17 -1.11 0.00 0.00 175.55 173.80 1lgq s LEU 119 N 1.32 4.42 -0.13 -1.29 2.96 -1.26 -0.24 118.68 124.45 1lgq s LEU 119 Ca -0.02 1.68 -0.06 0.00 -0.22 0.00 0.00 54.13 55.51 1lgq s LEU 119 Cb -0.14 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1lgq s LEU 119 CO -0.04 -0.18 0.07 -0.47 -1.32 0.00 0.00 176.35 174.42 1lgq s TYR 120 N 0.61 3.36 -0.07 5.38 5.04 0.19 -4.96 117.35 126.90 1lgq s TYR 120 Ca 0.49 0.30 -0.05 0.00 -2.44 0.00 0.00 57.07 55.37 1lgq s TYR 120 Cb -0.22 -1.93 0.03 0.00 0.35 0.00 0.00 41.96 40.18 1lgq s TYR 120 CO 0.28 0.49 0.16 -1.21 -1.34 0.00 0.00 175.55 173.93 1lgq s GLU 121 N -0.57 0.16 0.29 4.97 2.02 -1.26 -0.67 118.70 123.64 1lgq s GLU 121 Ca 0.11 0.30 -0.10 0.00 0.02 0.00 0.00 54.97 55.30 1lgq s GLU 121 Cb -0.12 -0.01 -0.07 0.00 0.10 0.00 0.00 34.13 34.03 1lgq s GLU 121 CO 0.02 -0.08 0.63 -1.54 0.02 0.00 0.00 175.26 174.31 1lgq s SER 122 N 0.52 6.60 -0.08 -0.19 1.04 -1.26 -4.97 113.70 115.36 1lgq s SER 122 Ca -0.04 0.99 0.16 0.00 0.48 0.00 0.00 55.95 57.55 1lgq s SER 122 Cb -0.05 -2.26 -0.24 0.00 0.10 0.00 0.00 66.02 63.57 1lgq s SER 122 CO -0.02 -0.18 0.24 0.18 0.98 0.00 0.00 173.24 174.44 1lgq n LEU 123 N -0.55 0.00 -0.46 2.42 4.77 -1.26 -5.05 117.00 116.87 1lgq n LEU 123 Ca 0.01 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.05 1lgq n LEU 123 Cb 0.53 0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.84 1lgq n LEU 123 CO 0.45 0.17 0.43 -0.24 -1.33 0.00 0.00 177.39 176.88