#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 1.34 -2.29 2.12 7.27 -1.26 -4.60 117.38 119.96 1lgq n GLN 14 Ca 0.00 0.49 -0.42 0.00 0.07 0.00 0.00 57.00 57.14 1lgq n GLN 14 Cb 0.00 -2.16 -0.03 0.00 2.41 0.00 0.00 30.24 30.46 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 -2.30 4.31 0.00 3.69 0.04 -1.26 -4.70 135.00 134.78 1lgq s PRO 15 Ca 0.67 1.90 0.17 0.00 0.04 0.00 0.00 61.00 63.77 1lgq s PRO 15 Cb -0.50 -3.52 0.04 0.00 0.04 0.00 0.00 34.50 30.56 1lgq s PRO 15 CO 0.54 -0.51 0.93 -2.67 0.04 0.00 0.00 177.00 175.33 1lgq n TRP 16 N 5.10 0.00 -3.77 0.56 4.27 -1.05 -5.00 117.44 117.56 1lgq n TRP 16 Ca 0.12 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.72 1lgq n TRP 16 Cb 0.44 0.00 -0.00 0.00 -1.36 0.00 0.00 31.31 30.39 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 -1.79 -0.20 0.12 -1.67 0.00 -1.26 -5.04 107.32 97.49 1lgq s GLY 17 Ca 0.16 0.20 -0.08 0.00 0.00 0.00 0.00 44.72 45.00 1lgq s GLY 17 CO 0.35 1.23 0.21 1.09 0.00 0.00 0.00 173.10 175.99 1lgq s ARG 18 N -2.60 0.98 0.04 2.90 1.70 -1.26 -1.16 118.95 119.56 1lgq s ARG 18 Ca 0.17 -1.10 0.05 0.00 -0.47 0.00 0.00 55.73 54.38 1lgq s ARG 18 Cb 0.01 0.35 -0.02 0.00 -0.57 0.00 0.00 34.95 34.71 1lgq s ARG 18 CO 0.01 -0.33 -0.14 -0.51 -1.08 0.00 0.00 175.30 173.24 1lgq s LEU 19 N -2.92 2.19 -0.07 -1.89 1.43 0.14 -4.93 118.68 112.63 1lgq s LEU 19 Ca 0.12 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1lgq s LEU 19 Cb 0.04 -0.61 0.03 0.00 0.03 0.00 0.00 46.19 45.68 1lgq s LEU 19 CO -0.05 0.03 -0.02 -0.22 0.23 0.00 0.00 176.35 176.32 1lgq s LEU 20 N -1.23 0.85 -0.00 1.79 2.96 -1.26 -0.45 118.68 121.34 1lgq s LEU 20 Ca 0.01 -0.11 -0.30 0.00 -0.22 0.00 0.00 54.13 53.51 1lgq s LEU 20 Cb -0.08 -0.46 -0.06 0.00 0.50 0.00 0.00 46.19 46.09 1lgq s LEU 20 CO 0.01 -0.15 1.42 -0.60 -1.32 0.00 0.00 176.35 175.72 1lgq s ARG 21 N 1.64 4.27 0.38 1.98 6.06 -1.26 -5.00 118.95 127.03 1lgq s ARG 21 Ca 0.00 1.99 -0.09 0.00 -2.50 0.00 0.00 55.73 55.13 1lgq s ARG 21 Cb -0.13 -3.59 -0.06 0.00 0.06 0.00 0.00 34.95 31.23 1lgq s ARG 21 CO -0.04 -0.60 0.71 -0.51 -2.50 0.00 0.00 175.30 172.37 1lgq s LEU 22 N 2.50 3.88 -0.41 -0.88 1.43 -1.26 -4.14 118.68 119.79 1lgq s LEU 22 Ca 0.64 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.75 1lgq s LEU 22 Cb -0.32 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.03 1lgq s LEU 22 CO 0.27 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1lgq n GLY 23 N -1.28 0.63 3.93 -3.19 0.00 -1.26 -5.01 105.19 99.01 1lgq n GLY 23 Ca 0.01 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.92 3.54 0.69 4.61 0.00 -1.26 -5.04 121.76 122.38 1lgq s ALA 24 Ca 0.00 -0.77 -0.17 0.00 0.00 0.00 0.00 51.96 51.02 1lgq s ALA 24 Cb 0.00 -2.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 1lgq s ALA 24 CO 0.00 -0.36 0.79 0.39 0.00 0.00 0.00 175.76 176.58 1lgq n GLU 25 N -2.16 0.51 -1.61 0.00 -0.58 -1.26 -4.83 120.64 110.71 1lgq n GLU 25 Ca 0.00 0.22 -0.46 0.00 -0.42 0.00 0.00 57.16 56.50 1lgq n GLU 25 Cb 0.56 -2.04 -0.03 0.00 -0.57 0.00 0.00 31.44 29.36 1lgq n GLU 25 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1lgq n GLU 26 N -1.20 1.50 -0.18 3.49 2.13 -1.26 -2.71 120.64 122.42 1lgq n GLU 26 Ca 0.12 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.47 1lgq n GLU 26 Cb 0.49 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 30.15 1lgq n GLU 26 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1lgq n GLY 27 N 1.83 0.90 3.69 8.31 0.00 -1.26 -5.05 105.19 113.61 1lgq n GLY 27 Ca 0.12 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.57 4.23 0.68 1.61 2.56 -1.10 -4.99 118.70 121.12 1lgq s GLU 28 Ca 0.00 2.17 -0.12 0.00 0.00 0.00 0.00 54.97 57.02 1lgq s GLU 28 Cb 0.00 -3.63 0.00 0.00 2.00 0.00 0.00 34.13 32.50 1lgq s GLU 28 CO 0.00 -0.69 1.06 -2.14 -0.56 0.00 0.00 175.26 172.94 1lgq s PRO 29 N 2.70 2.96 0.31 4.30 0.02 -1.26 -4.98 135.00 139.05 1lgq s PRO 29 Ca 0.70 1.04 -0.10 0.00 0.02 0.00 0.00 61.00 62.66 1lgq s PRO 29 Cb -0.36 -1.99 -0.07 0.00 0.02 0.00 0.00 34.50 32.10 1lgq s PRO 29 CO 0.30 -1.09 0.65 -1.01 -0.33 0.00 0.00 177.00 175.52 1lgq s HIS 30 N -2.88 3.44 -0.25 6.54 3.76 -1.26 -4.63 115.29 120.00 1lgq s HIS 30 Ca 0.60 0.95 -0.08 0.00 -0.15 0.00 0.00 55.06 56.37 1lgq s HIS 30 Cb -0.15 -2.34 -0.03 0.00 1.11 0.00 0.00 32.58 31.17 1lgq s HIS 30 CO 0.51 0.11 0.10 0.08 -0.85 0.00 0.00 174.74 174.68 1lgq s VAL 31 N -2.06 4.57 -0.08 -0.90 1.01 0.40 -4.91 120.40 118.44 1lgq s VAL 31 Ca 0.49 -0.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.19 1lgq s VAL 31 Cb -0.11 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1lgq s VAL 31 CO 0.25 0.33 0.55 -0.76 0.00 0.00 0.00 175.10 175.46 1lgq s LEU 32 N 1.55 4.33 -0.77 3.92 1.43 -1.26 -0.69 118.68 127.19 1lgq s LEU 32 Ca 0.06 0.98 -0.18 0.00 -1.03 0.00 0.00 54.13 53.96 1lgq s LEU 32 Cb -0.15 -2.82 0.14 0.00 0.03 0.00 0.00 46.19 43.39 1lgq s LEU 32 CO 0.05 0.02 0.88 -0.76 0.23 0.00 0.00 176.35 176.77 1lgq s LEU 33 N 0.39 5.51 -0.19 1.79 1.43 -0.30 -4.84 118.68 122.47 1lgq s LEU 33 Ca 0.29 -1.89 0.15 0.00 -1.03 0.00 0.00 54.13 51.65 1lgq s LEU 33 Cb -0.16 -2.32 0.71 0.00 0.03 0.00 0.00 46.19 44.44 1lgq s LEU 33 CO 0.14 -1.00 1.63 0.54 0.23 0.00 0.00 176.35 177.88 1lgq n ARG 34 N 5.98 4.10 -4.38 1.70 1.74 -1.26 -2.52 116.66 122.02 1lgq n ARG 34 Ca 0.08 -3.00 -0.19 0.00 -0.77 0.00 0.00 57.85 53.97 1lgq n ARG 34 Cb 0.46 -2.05 -0.10 0.00 -1.02 0.00 0.00 32.46 29.74 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 -2.56 1.41 0.26 5.56 1.02 -1.26 -4.08 119.74 120.09 1lgq s LYS 35 Ca 0.50 -1.66 0.10 0.00 0.02 0.00 0.00 55.97 54.92 1lgq s LYS 35 Cb 0.37 -1.13 0.32 0.00 -0.52 0.00 0.00 37.83 36.88 1lgq s LYS 35 CO 0.16 0.13 1.59 -0.09 -0.92 0.00 0.00 175.35 176.21 1lgq h ARG 36 N 2.45 0.02 -4.81 1.68 1.12 -1.93 -3.43 114.38 109.49 1lgq h ARG 36 Ca -0.39 -0.01 -0.47 0.00 -1.11 0.00 0.00 59.98 57.99 1lgq h ARG 36 Cb 1.23 0.00 -0.31 0.00 -0.01 0.00 0.00 29.97 30.88 1lgq h ARG 36 CO 0.64 0.65 -0.80 -2.00 -3.11 0.00 0.00 179.97 175.34 1lgq s GLU 37 N -3.58 1.25 -0.24 0.20 2.12 -1.26 -2.27 118.70 114.92 1lgq s GLU 37 Ca -0.01 -0.40 0.01 0.00 0.36 0.00 0.00 54.97 54.92 1lgq s GLU 37 Cb 0.12 -1.13 0.06 0.00 0.26 0.00 0.00 34.13 33.45 1lgq s GLU 37 CO 0.77 0.15 -0.04 -0.46 -0.54 0.00 0.00 175.26 175.13 1lgq s TRP 38 N 0.18 2.36 0.13 5.30 -0.11 0.83 -4.97 118.94 122.65 1lgq s TRP 38 Ca -0.04 -1.75 -0.17 0.00 1.22 0.00 0.00 56.10 55.36 1lgq s TRP 38 Cb -0.10 -1.59 -0.07 0.00 -1.50 0.00 0.00 33.47 30.21 1lgq s TRP 38 CO 0.01 -0.77 0.59 0.95 -4.62 0.00 0.00 176.95 173.11 1lgq s THR 39 N 1.41 4.75 -0.07 5.86 -4.23 -1.26 -0.55 115.64 121.55 1lgq s THR 39 Ca -0.05 1.07 0.01 0.00 -1.18 0.00 0.00 61.69 61.54 1lgq s THR 39 Cb -0.19 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 69.85 1lgq s THR 39 CO -0.07 0.36 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.65 1lgq s ILE 40 N -1.34 0.95 0.00 2.99 1.01 -0.23 -0.93 121.20 123.65 1lgq s ILE 40 Ca 0.35 -0.35 -0.28 0.00 0.00 0.00 0.00 60.65 60.38 1lgq s ILE 40 Cb -0.17 -0.90 0.09 0.00 0.01 0.00 0.00 42.46 41.49 1lgq s ILE 40 CO 0.19 0.32 1.26 -0.83 0.00 0.00 0.00 174.94 175.88 1lgq s GLY 41 N 0.90 -0.11 0.21 6.18 0.00 -0.69 -1.54 107.32 112.28 1lgq s GLY 41 Ca -0.11 0.01 0.11 0.00 0.00 0.00 0.00 44.72 44.74 1lgq s GLY 41 CO 0.01 5.11 1.41 -0.09 0.00 0.00 0.00 173.10 179.53 1lgq h ARG 42 N 2.00 0.00 -6.89 2.90 2.43 -0.38 -0.24 114.38 114.20 1lgq h ARG 42 Ca -0.23 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.41 1lgq h ARG 42 Cb 1.19 0.00 0.08 0.00 -0.42 0.00 0.00 29.97 30.81 1lgq h ARG 42 CO 0.32 0.76 0.68 1.03 -1.51 0.00 0.00 179.97 181.25 1lgq s ARG 43 N -2.97 4.28 0.28 0.20 0.52 -0.85 -2.32 118.95 118.09 1lgq s ARG 43 Ca 0.02 2.32 0.21 0.00 -0.52 0.00 0.00 55.73 57.76 1lgq s ARG 43 Cb 0.10 -3.05 1.04 0.00 0.52 0.00 0.00 34.95 33.56 1lgq s ARG 43 CO 0.78 -0.29 1.65 0.54 0.02 0.00 0.00 175.30 178.00 1lgq n ARG 44 N 0.80 0.15 0.13 3.54 1.74 -1.26 -2.36 116.66 119.40 1lgq n ARG 44 Ca 0.01 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 1lgq n ARG 44 Cb 0.41 -1.90 0.09 0.00 -1.02 0.00 0.00 32.46 30.05 1lgq n ARG 44 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1lgq h GLY 45 N 0.99 0.00 -1.80 -0.13 0.00 -1.95 -3.47 103.07 96.71 1lgq h GLY 45 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 1lgq h GLY 45 CO 0.00 0.00 0.05 0.00 0.00 0.00 0.00 176.54 176.59 1lgq h ASP 47 N -1.03 0.44 -3.78 0.00 3.32 -1.52 -3.37 116.42 110.47 1lgq h ASP 47 Ca -0.45 -0.16 -0.65 0.00 0.02 0.00 0.00 57.03 55.79 1lgq h ASP 47 Cb 1.30 -0.12 -0.38 0.00 0.22 0.00 0.00 39.33 40.36 1lgq h ASP 47 CO 0.43 0.72 -0.79 -0.22 -1.72 0.00 0.00 179.24 177.66 1lgq s LEU 48 N -8.57 3.24 0.03 1.55 2.96 -0.11 -5.00 118.68 112.79 1lgq s LEU 48 Ca -0.06 -1.38 0.04 0.00 -0.22 0.00 0.00 54.13 52.51 1lgq s LEU 48 Cb 0.14 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.36 1lgq s LEU 48 CO 0.79 -0.22 -0.06 -0.55 -1.32 0.00 0.00 176.35 174.99 1lgq s SER 49 N 1.19 4.66 -0.40 3.68 0.15 -1.26 -1.70 113.70 120.02 1lgq s SER 49 Ca -0.07 -0.19 0.11 0.00 0.70 0.00 0.00 55.95 56.51 1lgq s SER 49 Cb -0.20 -1.06 0.37 0.00 -1.71 0.00 0.00 66.02 63.42 1lgq s SER 49 CO -0.06 0.25 0.83 0.49 1.20 0.00 0.00 173.24 175.95 1lgq n PHE 50 N 1.25 1.27 0.28 3.44 3.01 -0.10 -4.97 117.46 121.64 1lgq n PHE 50 Ca -0.14 -3.63 0.13 0.00 1.01 0.00 0.00 57.45 54.81 1lgq n PHE 50 Cb 0.52 -0.41 0.69 0.00 -0.01 0.00 0.00 39.48 40.28 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 2.97 0.00 -0.02 -1.08 0.13 -1.71 -0.66 132.00 131.64 1lgq h PRO 51 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1lgq h PRO 51 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1lgq h PRO 51 CO 0.58 0.00 -0.34 0.43 -0.23 0.00 0.00 178.00 178.44 1lgq n SER 52 N -2.63 1.95 -4.48 1.44 7.64 -1.26 -4.88 113.62 111.40 1lgq n SER 52 Ca -0.02 -1.48 -0.43 0.00 1.01 0.00 0.00 58.87 57.96 1lgq n SER 52 Cb 0.33 0.40 -0.08 0.00 -1.01 0.00 0.00 64.21 63.85 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 -2.09 6.21 0.00 6.43 3.84 -0.26 -4.92 114.94 124.16 1lgq s ASN 53 Ca 0.17 -0.67 0.21 0.00 0.21 0.00 0.00 52.86 52.78 1lgq s ASN 53 Cb 0.16 -2.24 0.94 0.00 -0.55 0.00 0.00 41.25 39.55 1lgq s ASN 53 CO 0.45 -0.64 1.66 1.17 -2.79 0.00 0.00 177.10 176.95 1lgq n LYS 54 N 5.73 0.10 0.00 0.43 4.81 -1.26 -2.97 118.16 125.00 1lgq n LYS 54 Ca -0.07 0.13 0.12 0.00 -0.87 0.00 0.00 58.31 57.62 1lgq n LYS 54 Cb 0.47 -1.50 0.22 0.00 0.02 0.00 0.00 35.03 34.25 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 -1.43 1.17 -4.71 3.14 4.77 -1.26 -4.84 117.00 113.84 1lgq n LEU 55 Ca 0.07 -0.36 -0.35 0.00 -0.03 0.00 0.00 56.01 55.34 1lgq n LEU 55 Cb 0.22 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 1lgq n LEU 55 CO 0.18 0.23 -0.23 -0.69 -1.33 0.00 0.00 177.39 175.55 1lgq s VAL 56 N -2.62 4.94 0.75 4.08 1.01 -1.16 -5.05 120.40 122.34 1lgq s VAL 56 Ca 0.19 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 1lgq s VAL 56 Cb 0.18 -3.18 0.05 0.00 0.00 0.00 0.00 36.38 33.43 1lgq s VAL 56 CO 0.59 0.53 1.11 -0.44 0.00 0.00 0.00 175.10 176.89 1lgq s SER 57 N -0.21 4.55 0.21 3.32 0.01 -1.26 -4.43 113.70 115.87 1lgq s SER 57 Ca 0.08 1.93 -0.11 0.00 1.31 0.00 0.00 55.95 59.16 1lgq s SER 57 Cb -0.12 -2.54 0.27 0.00 0.21 0.00 0.00 66.02 63.85 1lgq s SER 57 CO 0.01 -2.01 1.68 1.23 0.41 0.00 0.00 173.24 174.57 1lgq h GLY 58 N -0.80 0.67 -7.24 3.44 0.00 -1.94 0.17 103.07 97.37 1lgq h GLY 58 Ca -0.45 0.03 -0.62 0.00 0.00 0.00 0.00 47.33 46.30 1lgq h GLY 58 CO 0.51 -0.15 -0.72 0.99 0.00 0.00 0.00 176.54 177.17 1lgq s ASP 59 N -5.26 4.09 -0.11 0.19 1.01 -1.26 -2.01 116.67 113.32 1lgq s ASP 59 Ca -0.13 -2.34 -0.26 0.00 0.71 0.00 0.00 52.55 50.52 1lgq s ASP 59 Cb 0.18 -1.22 -0.28 0.00 1.01 0.00 0.00 42.92 42.61 1lgq s ASP 59 CO 0.73 -0.32 0.82 -0.74 0.21 0.00 0.00 175.17 175.87 1lgq h HIS 60 N 7.22 0.19 -2.26 4.23 2.76 -1.25 -3.33 115.15 122.71 1lgq h HIS 60 Ca -0.06 -0.14 0.18 0.00 -2.20 0.00 0.00 60.37 58.15 1lgq h HIS 60 Cb 0.96 -0.01 -0.09 0.00 1.55 0.00 0.00 27.41 29.82 1lgq h HIS 60 CO 0.45 1.11 0.51 0.00 -1.30 0.00 0.00 177.93 178.70 1lgq s ARG 62 N -3.20 0.05 -0.18 0.00 1.70 -0.68 -1.07 118.95 115.56 1lgq s ARG 62 Ca 0.12 0.06 -0.07 0.00 -0.47 0.00 0.00 55.73 55.36 1lgq s ARG 62 Cb -0.01 0.02 -0.04 0.00 -0.57 0.00 0.00 34.95 34.35 1lgq s ARG 62 CO 0.01 -0.01 0.06 0.42 -1.08 0.00 0.00 175.30 174.70 1lgq s ILE 63 N 0.03 4.77 -0.03 4.99 1.01 0.29 -0.91 121.20 131.34 1lgq s ILE 63 Ca -0.00 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.63 1lgq s ILE 63 Cb -0.00 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.32 1lgq s ILE 63 CO 0.00 0.46 -0.09 -0.69 0.00 0.00 0.00 174.94 174.62 1lgq s VAL 64 N 0.39 0.82 -0.12 2.92 1.01 0.53 -0.12 120.40 125.81 1lgq s VAL 64 Ca 0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 1lgq s VAL 64 Cb -0.12 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1lgq s VAL 64 CO 0.00 0.26 0.01 0.54 0.00 0.00 0.00 175.10 175.91 1lgq s VAL 65 N 0.30 4.38 -0.22 2.92 0.11 -0.96 -0.28 120.40 126.66 1lgq s VAL 65 Ca -0.05 -0.20 -0.21 0.00 -2.93 0.00 0.00 61.98 58.59 1lgq s VAL 65 Cb -0.10 -2.89 -0.02 0.00 -1.53 0.00 0.00 36.38 31.84 1lgq s VAL 65 CO 0.01 0.55 0.63 -0.62 -3.33 0.00 0.00 175.10 172.34 1lgq s ASP 66 N -0.33 6.65 0.20 3.54 3.68 0.45 -4.90 116.67 125.96 1lgq s ASP 66 Ca 0.07 0.80 -0.08 0.00 2.13 0.00 0.00 52.55 55.46 1lgq s ASP 66 Cb -0.12 -2.35 0.13 0.00 -1.45 0.00 0.00 42.92 39.13 1lgq s ASP 66 CO 0.02 -0.31 1.75 -0.33 0.13 0.00 0.00 175.17 176.43 1lgq h GLU 67 N 7.61 1.15 0.26 4.34 3.07 -1.94 0.20 114.58 129.26 1lgq h GLU 67 Ca -0.30 -0.24 -0.01 0.00 -0.50 0.00 0.00 59.36 58.31 1lgq h GLU 67 Cb 1.14 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1lgq h GLU 67 CO 0.77 0.97 -0.12 -0.22 -1.40 0.00 0.00 179.01 179.01 1lgq h LYS 68 N 1.10 -0.33 0.00 2.33 3.64 -1.98 -3.37 116.57 117.96 1lgq h LYS 68 Ca 0.24 0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.44 1lgq h LYS 68 Cb 0.29 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1lgq h LYS 68 CO -0.01 -0.22 -0.90 0.66 -2.27 0.00 0.00 179.45 176.71 1lgq h SER 69 N -0.67 0.33 0.00 4.20 4.64 -2.01 -3.47 113.55 116.58 1lgq h SER 69 Ca -0.04 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1lgq h SER 69 Cb 0.26 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1lgq h SER 69 CO 0.06 1.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.70 1lgq n GLY 70 N 0.90 0.76 3.76 -0.77 0.00 0.69 -5.04 105.19 105.49 1lgq n GLY 70 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.57 4.71 -0.13 1.61 -0.21 -1.25 -4.68 119.66 119.15 1lgq s GLN 71 Ca 0.00 1.47 -0.04 0.00 0.02 0.00 0.00 55.36 56.81 1lgq s GLN 71 Cb 0.00 -3.08 -0.04 0.00 1.00 0.00 0.00 33.01 30.90 1lgq s GLN 71 CO 0.00 0.38 0.03 0.08 -2.12 0.00 0.00 175.29 173.66 1lgq s VAL 72 N -1.35 4.57 0.12 1.09 1.01 -1.26 -0.41 120.40 124.17 1lgq s VAL 72 Ca 0.45 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1lgq s VAL 72 Cb -0.24 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1lgq s VAL 72 CO 0.30 0.55 -0.08 -0.89 0.00 0.00 0.00 175.10 174.98 1lgq s THR 73 N -0.41 0.91 -0.09 3.92 2.01 0.62 -4.99 115.64 117.61 1lgq s THR 73 Ca 0.09 -1.98 0.02 0.00 0.31 0.00 0.00 61.69 60.12 1lgq s THR 73 Cb -0.12 -1.74 0.01 0.00 0.01 0.00 0.00 72.50 70.66 1lgq s THR 73 CO 0.02 -0.81 -0.14 -0.22 -0.69 0.00 0.00 174.62 172.79 1lgq s LEU 74 N -3.08 1.65 -0.19 4.42 0.20 -1.26 -0.35 118.68 120.07 1lgq s LEU 74 Ca 0.14 -0.37 -0.01 0.00 0.69 0.00 0.00 54.13 54.57 1lgq s LEU 74 Cb 0.04 -0.98 0.00 0.00 -0.43 0.00 0.00 46.19 44.82 1lgq s LEU 74 CO -0.02 0.01 -0.12 -0.70 -0.29 0.00 0.00 176.35 175.23 1lgq s GLU 75 N 0.92 3.23 -0.03 1.98 2.12 -0.09 -4.96 118.70 121.88 1lgq s GLU 75 Ca -0.09 -0.72 -0.29 0.00 0.36 0.00 0.00 54.97 54.23 1lgq s GLU 75 Cb -0.15 -2.76 -0.03 0.00 0.26 0.00 0.00 34.13 31.45 1lgq s GLU 75 CO 0.00 -0.12 0.97 0.34 -0.54 0.00 0.00 175.26 175.91 1lgq s ASP 76 N 1.19 7.32 -0.03 -1.70 2.15 -1.26 -1.69 116.67 122.64 1lgq s ASP 76 Ca 0.02 1.60 0.04 0.00 0.43 0.00 0.00 52.55 54.64 1lgq s ASP 76 Cb -0.14 -2.56 0.07 0.00 -0.30 0.00 0.00 42.92 39.99 1lgq s ASP 76 CO -0.05 -0.29 0.91 0.35 -0.17 0.00 0.00 175.17 175.92 1lgq n THR 77 N 4.04 0.77 -1.98 1.71 -2.24 0.27 -4.96 114.28 111.87 1lgq n THR 77 Ca 0.06 -0.86 -0.29 0.00 -2.27 0.00 0.00 64.05 60.70 1lgq n THR 77 Cb 0.51 0.46 0.13 0.00 -2.10 0.00 0.00 70.33 69.32 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 -1.17 3.98 0.14 3.42 1.04 -0.33 -4.70 113.70 116.09 1lgq s SER 78 Ca 0.07 0.48 0.25 0.00 0.48 0.00 0.00 55.95 57.23 1lgq s SER 78 Cb 0.06 -0.80 0.44 0.00 0.10 0.00 0.00 66.02 65.82 1lgq s SER 78 CO 0.01 -2.20 1.42 0.35 0.98 0.00 0.00 173.24 173.80 1lgq n THR 79 N -3.42 0.41 -0.19 2.02 -2.24 -1.26 -4.25 114.28 105.34 1lgq n THR 79 Ca 0.11 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1lgq n THR 79 Cb 0.60 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1lgq n THR 79 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1lgq n SER 80 N -2.15 0.35 0.00 3.42 7.64 -1.26 -5.15 113.62 116.47 1lgq n SER 80 Ca 0.04 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.23 1lgq n SER 80 Cb 0.44 0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.93 1lgq n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lgq n GLY 81 N 0.29 1.11 3.02 0.23 0.00 -1.26 -5.03 105.19 103.55 1lgq n GLY 81 Ca 0.00 -2.03 -0.24 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.74 1.09 0.01 2.61 2.01 -1.26 -4.91 115.64 113.45 1lgq s THR 82 Ca 0.00 -0.46 -0.09 0.00 0.31 0.00 0.00 61.69 61.45 1lgq s THR 82 Cb 0.00 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1lgq s THR 82 CO 0.00 0.34 0.31 -0.69 -0.69 0.00 0.00 174.62 173.89 1lgq s VAL 83 N 0.62 5.23 -0.06 3.82 1.01 -1.26 -5.07 120.40 124.69 1lgq s VAL 83 Ca -0.13 0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 1lgq s VAL 83 Cb -0.15 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.67 1lgq s VAL 83 CO 0.03 0.42 0.01 -0.63 0.00 0.00 0.00 175.10 174.94 1lgq s ILE 84 N -1.25 0.24 -0.11 2.22 1.01 -1.26 -5.12 121.20 116.93 1lgq s ILE 84 Ca 0.26 0.19 -0.24 0.00 0.00 0.00 0.00 60.65 60.86 1lgq s ILE 84 Cb -0.14 -0.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 1lgq s ILE 84 CO 0.14 0.23 0.76 0.21 0.00 0.00 0.00 174.94 176.28 1lgq s ASN 85 N 1.91 6.97 -0.00 3.58 2.47 -1.26 -5.05 114.94 123.56 1lgq s ASN 85 Ca 0.03 1.17 0.00 0.00 0.42 0.00 0.00 52.86 54.49 1lgq s ASN 85 Cb -0.12 -2.43 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 1lgq s ASN 85 CO -0.04 -0.25 -0.01 -0.75 -3.72 0.00 0.00 177.10 172.33 1lgq s LYS 86 N 1.43 0.11 -0.33 0.43 2.20 -1.26 -5.13 119.74 117.20 1lgq s LYS 86 Ca 0.38 -0.04 -0.13 0.00 -0.36 0.00 0.00 55.97 55.81 1lgq s LYS 86 Cb -0.17 -0.12 -0.02 0.00 -1.51 0.00 0.00 37.83 36.01 1lgq s LYS 86 CO 0.16 0.02 0.26 -0.51 -0.36 0.00 0.00 175.35 174.92 1lgq s LEU 87 N 0.01 4.43 -0.03 5.43 1.43 -1.26 -5.08 118.68 123.62 1lgq s LEU 87 Ca 0.00 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1lgq s LEU 87 Cb -0.01 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1lgq s LEU 87 CO -0.00 -0.23 0.05 -0.75 0.23 0.00 0.00 176.35 175.65 1lgq s LYS 88 N 1.79 3.02 -0.24 1.70 2.20 -1.26 -5.10 119.74 121.86 1lgq s LYS 88 Ca 0.07 -0.47 -0.07 0.00 -0.36 0.00 0.00 55.97 55.15 1lgq s LYS 88 Cb -0.17 -2.83 -0.03 0.00 -1.51 0.00 0.00 37.83 33.29 1lgq s LYS 88 CO 0.11 0.66 0.05 0.08 -0.36 0.00 0.00 175.35 175.89 1lgq s VAL 89 N -1.10 4.18 -0.35 4.02 1.01 -1.26 -5.07 120.40 121.83 1lgq s VAL 89 Ca 0.20 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 1lgq s VAL 89 Cb -0.12 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.35 1lgq s VAL 89 CO 0.10 0.36 0.14 -0.69 0.00 0.00 0.00 175.10 175.00 1lgq s VAL 90 N 1.55 4.05 -0.24 2.92 1.01 -1.26 -5.07 120.40 123.37 1lgq s VAL 90 Ca 0.06 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1lgq s VAL 90 Cb -0.15 -3.27 0.05 0.00 0.00 0.00 0.00 36.38 33.00 1lgq s VAL 90 CO 0.03 -0.18 -0.13 -0.54 0.00 0.00 0.00 175.10 174.27 1lgq s LYS 91 N 1.46 2.51 -1.56 2.72 1.02 -1.26 -4.74 119.74 119.89 1lgq s LYS 91 Ca -0.00 -1.17 -0.09 0.00 0.02 0.00 0.00 55.97 54.73 1lgq s LYS 91 Cb -0.19 -2.81 0.07 0.00 -0.52 0.00 0.00 37.83 34.38 1lgq s LYS 91 CO 0.04 -0.45 0.56 1.63 -0.92 0.00 0.00 175.35 176.21 1lgq n LYS 92 N 4.51 -3.07 -3.97 1.68 4.76 -1.26 -4.93 118.16 115.88 1lgq n LYS 92 Ca -0.16 0.37 -0.09 0.00 -2.87 0.00 0.00 58.31 55.55 1lgq n LYS 92 Cb 0.45 -4.73 -0.06 0.00 -1.84 0.00 0.00 35.03 28.86 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 -6.80 1.46 0.21 1.97 -2.07 -1.26 -5.16 119.66 108.00 1lgq s GLN 93 Ca 0.35 -1.21 -0.04 0.00 -1.82 0.00 0.00 55.36 52.64 1lgq s GLN 93 Cb -0.19 0.45 -0.05 0.00 -1.09 0.00 0.00 33.01 32.13 1lgq s GLN 93 CO 0.92 -0.59 0.45 -0.08 -1.32 0.00 0.00 175.29 174.66 1lgq s THR 94 N -4.00 5.12 -0.20 3.63 -1.32 -1.26 -5.02 115.64 112.59 1lgq s THR 94 Ca 0.21 -0.04 -0.21 0.00 -1.21 0.00 0.00 61.69 60.44 1lgq s THR 94 Cb 0.00 -3.69 0.06 0.00 -1.51 0.00 0.00 72.50 67.36 1lgq s THR 94 CO 0.07 -0.14 0.58 0.00 -2.21 0.00 0.00 174.62 172.92 1lgq s PRO 96 N 0.11 3.43 -0.12 0.00 0.04 -1.26 -5.04 135.00 132.16 1lgq s PRO 96 Ca -0.02 1.65 0.01 0.00 0.04 0.00 0.00 61.00 62.68 1lgq s PRO 96 Cb -0.04 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.43 1lgq s PRO 96 CO 0.02 -0.79 -0.12 -1.17 0.04 0.00 0.00 177.00 174.97 1lgq s LEU 97 N -3.64 1.52 0.24 -3.56 0.20 -1.26 -5.14 118.68 107.04 1lgq s LEU 97 Ca 0.71 -0.39 0.11 0.00 0.69 0.00 0.00 54.13 55.24 1lgq s LEU 97 Cb -0.25 -1.01 -0.05 0.00 -0.43 0.00 0.00 46.19 44.46 1lgq s LEU 97 CO 0.29 -0.05 -0.13 0.00 -0.29 0.00 0.00 176.35 176.17 1lgq s GLN 98 N 1.36 1.90 0.18 1.98 -2.07 -1.26 -5.07 119.66 116.68 1lgq s GLN 98 Ca 0.00 -1.53 -0.33 0.00 -1.82 0.00 0.00 55.36 51.68 1lgq s GLN 98 Cb -0.14 -1.97 -0.13 0.00 -1.09 0.00 0.00 33.01 29.68 1lgq s GLN 98 CO -0.06 0.37 1.64 2.41 -1.32 0.00 0.00 175.29 178.33 1lgq n THR 99 N -0.41 0.00 0.00 3.63 -1.04 -1.26 -1.87 114.28 113.33 1lgq n THR 99 Ca -0.08 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1lgq n THR 99 Cb 0.58 -1.74 0.00 0.00 -1.82 0.00 0.00 70.33 67.35 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 2.60 3.74 3.41 0.00 -0.33 -5.01 105.19 113.27 1lgq n GLY 100 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.47 4.98 -0.15 1.61 1.01 -0.78 -4.75 116.67 118.12 1lgq s ASP 101 Ca 0.00 2.60 0.01 0.00 0.71 0.00 0.00 52.55 55.87 1lgq s ASP 101 Cb 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1lgq s ASP 101 CO 0.00 -1.75 -0.18 -0.69 0.21 0.00 0.00 175.17 172.77 1lgq s VAL 102 N -1.42 2.43 -0.21 -1.27 1.01 -1.26 -1.19 120.40 118.50 1lgq s VAL 102 Ca 0.78 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 61.74 1lgq s VAL 102 Cb -0.36 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1lgq s VAL 102 CO 0.40 0.53 0.47 -0.63 0.00 0.00 0.00 175.10 175.87 1lgq s ILE 103 N 0.89 5.14 -0.43 2.22 -1.09 0.24 -4.86 121.20 123.30 1lgq s ILE 103 Ca -0.04 0.85 -0.09 0.00 -2.23 0.00 0.00 60.65 59.14 1lgq s ILE 103 Cb -0.15 -3.80 0.09 0.00 -1.58 0.00 0.00 42.46 37.03 1lgq s ILE 103 CO -0.02 0.19 0.28 -0.31 -1.23 0.00 0.00 174.94 173.85 1lgq s TYR 104 N 1.60 3.38 0.26 3.97 1.51 -1.26 0.51 117.35 127.31 1lgq s TYR 104 Ca 0.22 -1.71 0.17 0.00 -1.01 0.00 0.00 57.07 54.74 1lgq s TYR 104 Cb -0.15 -3.12 0.73 0.00 -0.11 0.00 0.00 41.96 39.30 1lgq s TYR 104 CO 0.09 -0.90 1.77 -0.07 -1.11 0.00 0.00 175.55 175.33 1lgq h LEU 105 N 8.38 0.00 -7.46 -1.29 3.38 -1.34 -3.41 115.31 113.58 1lgq h LEU 105 Ca -0.22 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.40 1lgq h LEU 105 Cb 1.08 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.46 1lgq h LEU 105 CO 0.78 0.38 -0.74 -0.69 0.09 0.00 0.00 178.44 178.26 1lgq s VAL 106 N -3.80 0.05 -0.05 1.22 1.01 -1.20 -4.96 120.40 112.66 1lgq s VAL 106 Ca -0.01 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1lgq s VAL 106 Cb 0.12 -0.22 0.02 0.00 0.00 0.00 0.00 36.38 36.30 1lgq s VAL 106 CO 0.69 0.16 -0.05 -0.47 0.00 0.00 0.00 175.10 175.43 1lgq s TYR 107 N 1.57 0.86 -0.18 5.22 5.04 -1.26 -1.50 117.35 127.11 1lgq s TYR 107 Ca -0.02 -0.27 -0.02 0.00 -2.44 0.00 0.00 57.07 54.32 1lgq s TYR 107 Cb -0.13 -0.74 0.05 0.00 0.35 0.00 0.00 41.96 41.49 1lgq s TYR 107 CO -0.03 -0.22 0.01 1.03 -1.34 0.00 0.00 175.55 175.01 1lgq s ARG 108 N 0.95 0.82 0.06 4.97 1.81 -1.26 -5.02 118.95 121.28 1lgq s ARG 108 Ca -0.10 -0.41 -0.28 0.00 -1.72 0.00 0.00 55.73 53.22 1lgq s ARG 108 Cb -0.14 -1.99 -0.17 0.00 -0.45 0.00 0.00 34.95 32.19 1lgq s ARG 108 CO 0.00 -0.57 1.58 0.87 -0.68 0.00 0.00 175.30 176.50 1lgq h LYS 109 N 8.22 -0.48 -0.81 3.54 1.57 -2.00 -2.92 116.57 123.69 1lgq h LYS 109 Ca -0.18 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1lgq h LYS 109 Cb 1.12 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 1lgq h LYS 109 CO 0.34 -0.27 0.39 -0.97 -0.57 0.00 0.00 179.45 178.37 1lgq h ASN 110 N -0.57 1.04 -3.06 0.86 -1.24 -2.07 -3.37 115.58 107.17 1lgq h ASN 110 Ca -0.05 -0.12 -0.61 0.00 0.71 0.00 0.00 56.30 56.23 1lgq h ASN 110 Cb 0.43 -0.27 -0.40 0.00 0.73 0.00 0.00 38.32 38.81 1lgq h ASN 110 CO 0.08 0.88 -0.76 -1.61 -1.29 0.00 0.00 177.43 174.73 1lgq s GLU 111 N -5.66 1.49 0.00 6.67 8.01 -1.18 -4.95 118.70 123.08 1lgq s GLU 111 Ca -0.12 -2.39 0.10 0.00 0.01 0.00 0.00 54.97 52.57 1lgq s GLU 111 Cb 0.16 -2.36 0.43 0.00 -4.31 0.00 0.00 34.13 28.06 1lgq s GLU 111 CO 0.82 -1.26 1.26 -0.35 0.01 0.00 0.00 175.26 175.75 1lgq n PRO 112 N 2.93 0.05 0.23 0.39 -0.04 -1.11 -2.35 135.00 135.09 1lgq n PRO 112 Ca 0.18 0.29 0.07 0.00 -0.04 0.00 0.00 63.50 63.99 1lgq n PRO 112 Cb 0.38 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.12 0.54 3.07 -1.92 -1.43 114.58 114.71 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 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1lgq h GLU 113 CO 0.00 0.21 0.00 0.72 -1.40 0.00 0.00 179.01 178.54 1lgq n HIS 114 N -4.10 0.15 -2.15 4.33 8.25 -0.99 -4.93 115.22 115.76 1lgq n HIS 114 Ca -0.02 -0.07 -0.37 0.00 -0.26 0.00 0.00 57.72 57.00 1lgq n HIS 114 Cb 0.28 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.39 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 -1.74 5.82 -0.36 0.41 0.01 -0.54 -4.76 114.94 113.77 1lgq s ASN 115 Ca 0.35 2.37 0.01 0.00 -0.71 0.00 0.00 52.86 54.87 1lgq s ASN 115 Cb 0.19 -2.60 0.11 0.00 0.41 0.00 0.00 41.25 39.36 1lgq s ASN 115 CO 0.30 -1.16 0.14 -0.69 -1.51 0.00 0.00 177.10 174.17 1lgq s VAL 116 N -1.55 1.29 0.00 1.60 1.01 -0.56 -4.96 120.40 117.23 1lgq s VAL 116 Ca 0.68 -1.96 0.05 0.00 0.00 0.00 0.00 61.98 60.75 1lgq s VAL 116 Cb -0.30 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 1lgq s VAL 116 CO 0.35 -0.74 -0.14 0.00 0.00 0.00 0.00 175.10 174.57 1lgq s ALA 117 N 1.05 2.73 -0.07 5.51 0.00 -1.26 -0.74 121.76 128.98 1lgq s ALA 117 Ca 0.13 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.01 1lgq s ALA 117 Cb -0.20 -0.91 0.02 0.00 0.00 0.00 0.00 23.12 22.03 1lgq s ALA 117 CO -0.14 0.58 -0.06 0.71 0.00 0.00 0.00 175.76 176.85 1lgq s TYR 118 N -0.89 1.02 -0.06 0.00 1.51 0.18 -4.94 117.35 114.17 1lgq s TYR 118 Ca 0.14 -0.37 -0.27 0.00 -1.01 0.00 0.00 57.07 55.57 1lgq s TYR 118 Cb -0.11 -0.88 -0.03 0.00 -0.11 0.00 0.00 41.96 40.84 1lgq s TYR 118 CO 0.04 -0.29 0.86 -1.17 -1.11 0.00 0.00 175.55 173.88 1lgq s LEU 119 N 1.17 4.31 -0.08 -1.29 2.96 -1.26 0.82 118.68 125.31 1lgq s LEU 119 Ca -0.06 1.40 -0.05 0.00 -0.22 0.00 0.00 54.13 55.20 1lgq s LEU 119 Cb -0.14 -3.34 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 1lgq s LEU 119 CO -0.01 -0.25 0.11 -0.47 -1.32 0.00 0.00 176.35 174.41 1lgq s TYR 120 N 1.22 3.47 -0.15 5.38 5.04 -0.33 -4.96 117.35 127.01 1lgq s TYR 120 Ca 0.44 0.40 -0.07 0.00 -2.44 0.00 0.00 57.07 55.40 1lgq s TYR 120 Cb -0.19 -1.87 0.06 0.00 0.35 0.00 0.00 41.96 40.32 1lgq s TYR 120 CO 0.21 0.65 0.35 -1.21 -1.34 0.00 0.00 175.55 174.21 1lgq s GLU 121 N -1.22 0.30 0.47 4.97 2.02 -1.26 -1.18 118.70 122.80 1lgq s GLU 121 Ca 0.17 0.77 -0.20 0.00 0.02 0.00 0.00 54.97 55.73 1lgq s GLU 121 Cb -0.12 0.02 -0.09 0.00 0.10 0.00 0.00 34.13 34.04 1lgq s GLU 121 CO 0.07 -0.20 1.00 -1.54 0.02 0.00 0.00 175.26 174.61 1lgq s SER 122 N 1.76 6.58 -0.01 -0.19 1.04 -1.26 -4.97 113.70 116.66 1lgq s SER 122 Ca -0.06 1.81 0.13 0.00 0.48 0.00 0.00 55.95 58.31 1lgq s SER 122 Cb -0.10 -2.55 -0.17 0.00 0.10 0.00 0.00 66.02 63.30 1lgq s SER 122 CO -0.11 -0.61 0.46 0.18 0.98 0.00 0.00 173.24 174.14 1lgq n LEU 123 N -0.90 0.39 0.00 2.42 4.77 -1.26 -5.06 117.00 117.35 1lgq n LEU 123 Ca 0.08 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1lgq n LEU 123 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1lgq n LEU 123 CO 0.39 0.10 0.23 -1.20 -1.33 0.00 0.00 177.39 175.58