#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmq n LYS 3 N 0.00 2.02 -1.87 -0.52 5.02 -1.26 -4.85 118.16 116.69 1xmq n LYS 3 Ca 0.00 0.73 -0.41 0.00 -2.02 0.00 0.00 58.31 56.61 1xmq n LYS 3 Cb 0.00 -2.48 -0.01 0.00 -0.02 0.00 0.00 35.03 32.52 1xmq n LYS 3 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1xmq s LYS 4 N 0.94 4.17 -0.09 1.97 2.47 -1.26 -4.70 119.74 123.23 1xmq s LYS 4 Ca 0.80 2.48 0.03 0.00 -1.56 0.00 0.00 55.97 57.72 1xmq s LYS 4 Cb -0.72 -3.01 0.01 0.00 -1.46 0.00 0.00 37.83 32.65 1xmq s LYS 4 CO 0.39 -0.47 -0.18 0.08 0.16 0.00 0.00 175.35 175.33 1xmq s VAL 5 N -0.86 1.66 0.09 4.02 1.01 -1.26 -0.35 120.40 124.72 1xmq s VAL 5 Ca 0.54 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.81 1xmq s VAL 5 Cb -0.45 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1xmq s VAL 5 CO 0.57 0.47 -0.14 -0.76 0.00 0.00 0.00 175.10 175.24 1xmq s LEU 6 N 0.62 2.33 0.07 3.92 1.43 0.88 -4.91 118.68 123.02 1xmq s LEU 6 Ca -0.14 -0.71 0.08 0.00 -1.03 0.00 0.00 54.13 52.33 1xmq s LEU 6 Cb -0.16 -0.54 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 1xmq s LEU 6 CO 0.04 -0.11 -0.18 -0.89 0.23 0.00 0.00 176.35 175.45 1xmq s THR 7 N -1.67 2.82 0.05 5.49 2.01 -1.26 0.21 115.64 123.30 1xmq s THR 7 Ca 0.03 -1.31 -0.08 0.00 0.31 0.00 0.00 61.69 60.64 1xmq s THR 7 Cb -0.08 -2.23 0.03 0.00 0.01 0.00 0.00 72.50 70.23 1xmq s THR 7 CO 0.02 0.24 0.38 0.61 -0.69 0.00 0.00 174.62 175.19 1xmq n GLY 8 N 1.24 0.93 3.74 4.40 0.00 -0.72 -4.36 105.19 110.42 1xmq n GLY 8 Ca -0.16 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 1xmq n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xmq s VAL 9 N -2.33 4.20 -0.18 1.61 1.01 -0.69 -1.21 120.40 122.81 1xmq s VAL 9 Ca 0.09 -1.10 -0.20 0.00 0.00 0.00 0.00 61.98 60.77 1xmq s VAL 9 Cb -0.01 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1xmq s VAL 9 CO 0.01 -0.02 0.57 -0.69 0.00 0.00 0.00 175.10 174.97 1xmq s VAL 10 N -1.59 5.08 -0.14 2.92 1.01 -0.92 -0.14 120.40 126.62 1xmq s VAL 10 Ca 0.29 1.07 0.10 0.00 0.00 0.00 0.00 61.98 63.43 1xmq s VAL 10 Cb -0.11 -3.89 0.18 0.00 0.00 0.00 0.00 36.38 32.56 1xmq s VAL 10 CO 0.21 0.17 1.11 1.33 0.00 0.00 0.00 175.10 177.92 1xmq n VAL 11 N 4.46 1.44 -3.21 2.92 0.24 -0.30 -2.26 118.33 121.62 1xmq n VAL 11 Ca -0.03 -1.56 0.04 0.00 -2.04 0.00 0.00 64.34 60.75 1xmq n VAL 11 Cb 0.50 0.16 -0.03 0.00 -1.47 0.00 0.00 33.84 33.00 1xmq n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1xmq s SER 12 N -1.80 -0.27 0.00 -1.34 0.15 -1.25 -4.92 113.70 104.25 1xmq s SER 12 Ca 0.18 0.28 0.15 0.00 0.70 0.00 0.00 55.95 57.26 1xmq s SER 12 Cb 0.14 1.28 0.16 0.00 -1.71 0.00 0.00 66.02 65.89 1xmq s SER 12 CO 0.03 -0.05 1.03 -0.67 1.20 0.00 0.00 173.24 174.77 1xmq n ASP 13 N 5.03 2.39 0.00 5.45 4.64 -1.26 -2.08 116.55 130.72 1xmq n ASP 13 Ca -0.08 -1.68 0.00 0.00 -1.38 0.00 0.00 54.79 51.66 1xmq n ASP 13 Cb 0.54 -0.05 0.00 0.00 -1.04 0.00 0.00 41.12 40.58 1xmq n ASP 13 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1xmq n LYS 14 N 0.84 0.00 -4.36 -0.67 5.02 -1.26 -4.63 118.16 113.10 1xmq n LYS 14 Ca 0.10 0.08 -0.23 0.00 -2.02 0.00 0.00 58.31 56.23 1xmq n LYS 14 Cb 0.39 -1.53 -0.08 0.00 -0.02 0.00 0.00 35.03 33.79 1xmq n LYS 14 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1xmq s MET 15 N -1.95 2.06 -0.11 1.97 -1.94 -1.26 -5.10 119.30 112.98 1xmq s MET 15 Ca 0.00 -1.57 -0.29 0.00 -1.71 0.00 0.00 55.69 52.11 1xmq s MET 15 Cb 0.00 -2.00 -0.01 0.00 2.01 0.00 0.00 34.83 34.82 1xmq s MET 15 CO 0.00 0.33 0.99 -0.65 -0.01 0.00 0.00 175.02 175.68 1xmq s GLN 16 N -3.62 4.42 -1.39 2.03 -0.21 -1.26 -3.71 119.66 115.90 1xmq s GLN 16 Ca 0.31 1.37 0.00 0.00 0.02 0.00 0.00 55.36 57.06 1xmq s GLN 16 Cb -0.05 -3.54 0.00 0.00 1.00 0.00 0.00 33.01 30.42 1xmq s GLN 16 CO 0.18 -0.31 0.00 1.63 -2.12 0.00 0.00 175.29 174.67 1xmq n LYS 17 N 4.99 -1.91 -3.74 2.91 5.02 -1.26 -4.94 118.16 119.23 1xmq n LYS 17 Ca 0.08 0.79 -0.13 0.00 -2.02 0.00 0.00 58.31 57.03 1xmq n LYS 17 Cb 0.49 -5.36 -0.10 0.00 -0.02 0.00 0.00 35.03 30.04 1xmq n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1xmq s THR 18 N -2.71 0.01 0.11 -0.18 2.01 -1.24 -1.15 115.64 112.48 1xmq s THR 18 Ca 0.00 -0.05 0.04 0.00 0.31 0.00 0.00 61.69 61.99 1xmq s THR 18 Cb 0.00 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 1xmq s THR 18 CO 0.00 -0.03 -0.10 0.68 -0.69 0.00 0.00 174.62 174.48 1xmq s VAL 19 N 0.03 1.02 -0.24 3.82 -7.23 -0.75 -4.05 120.40 112.99 1xmq s VAL 19 Ca -0.01 -1.77 -0.09 0.00 -1.81 0.00 0.00 61.98 58.29 1xmq s VAL 19 Cb -0.03 -1.52 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 1xmq s VAL 19 CO 0.01 -0.61 0.13 -0.89 -0.31 0.00 0.00 175.10 173.42 1xmq s THR 20 N -2.71 4.96 -0.25 5.32 2.01 -0.88 -0.74 115.64 123.36 1xmq s THR 20 Ca 0.09 0.04 -0.06 0.00 0.31 0.00 0.00 61.69 62.07 1xmq s THR 20 Cb -0.01 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.17 1xmq s THR 20 CO 0.00 0.34 0.03 -0.69 -0.69 0.00 0.00 174.62 173.61 1xmq s VAL 21 N 1.26 3.92 -0.33 3.82 1.01 0.24 -1.15 120.40 129.18 1xmq s VAL 21 Ca 0.06 -0.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.44 1xmq s VAL 21 Cb -0.14 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.39 1xmq s VAL 21 CO 0.05 0.33 0.81 -0.22 0.00 0.00 0.00 175.10 176.07 1xmq s LEU 22 N 1.55 4.08 -0.25 3.92 2.96 0.80 0.06 118.68 131.81 1xmq s LEU 22 Ca 0.06 0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 54.48 1xmq s LEU 22 Cb -0.15 -3.10 -0.02 0.00 0.50 0.00 0.00 46.19 43.42 1xmq s LEU 22 CO 0.01 -0.68 0.05 -0.69 -1.32 0.00 0.00 176.35 173.71 1xmq s VAL 23 N 3.08 4.09 0.12 1.68 1.01 0.99 -1.70 120.40 129.66 1xmq s VAL 23 Ca 0.33 -0.28 -0.28 0.00 0.00 0.00 0.00 61.98 61.76 1xmq s VAL 23 Cb -0.14 -2.92 -0.07 0.00 0.00 0.00 0.00 36.38 33.26 1xmq s VAL 23 CO 0.15 0.34 0.87 -0.70 0.00 0.00 0.00 175.10 175.76 1xmq s GLU 24 N 1.58 4.64 0.18 2.72 2.56 -1.26 -1.47 118.70 127.65 1xmq s GLU 24 Ca 0.06 1.30 0.10 0.00 0.00 0.00 0.00 54.97 56.43 1xmq s GLU 24 Cb -0.15 -3.34 -0.04 0.00 2.00 0.00 0.00 34.13 32.60 1xmq s GLU 24 CO 0.02 0.34 -0.21 0.50 -0.56 0.00 0.00 175.26 175.35 1xmq s ARG 25 N -0.37 1.41 -0.09 4.30 3.52 0.16 -4.99 118.95 122.88 1xmq s ARG 25 Ca 0.42 -1.48 -0.09 0.00 -0.13 0.00 0.00 55.73 54.44 1xmq s ARG 25 Cb -0.23 -1.59 0.02 0.00 -1.56 0.00 0.00 34.95 31.60 1xmq s ARG 25 CO 0.28 0.33 0.26 -1.14 -0.81 0.00 0.00 175.30 174.22 1xmq s GLN 26 N -2.77 0.34 -0.10 5.12 0.74 -1.26 -1.80 119.66 119.92 1xmq s GLN 26 Ca 0.19 0.31 -0.33 0.00 0.05 0.00 0.00 55.36 55.58 1xmq s GLN 26 Cb -0.07 0.16 0.14 0.00 1.10 0.00 0.00 33.01 34.34 1xmq s GLN 26 CO 0.09 -0.05 1.36 -0.59 -0.55 0.00 0.00 175.29 175.55 1xmq s PHE 27 N 0.01 -0.03 -0.00 1.67 -0.12 -0.07 -4.98 117.98 114.46 1xmq s PHE 27 Ca -0.01 -0.01 -0.30 0.00 -0.05 0.00 0.00 56.93 56.55 1xmq s PHE 27 Cb -0.02 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 42.85 1xmq s PHE 27 CO 0.01 -0.12 1.04 -1.25 -0.05 0.00 0.00 175.22 174.84 1xmq s PRO 28 N -2.20 4.51 0.18 1.99 0.04 -1.26 0.20 135.00 138.46 1xmq s PRO 28 Ca 0.14 1.50 -0.31 0.00 0.04 0.00 0.00 61.00 62.36 1xmq s PRO 28 Cb 0.05 -3.45 -0.10 0.00 0.04 0.00 0.00 34.50 31.03 1xmq s PRO 28 CO -0.05 -0.14 1.55 -1.58 0.04 0.00 0.00 177.00 176.82 1xmq s HIS 29 N 1.21 3.05 0.36 0.56 2.46 -0.76 -4.88 115.29 117.29 1xmq s HIS 29 Ca 0.53 0.68 0.17 0.00 0.47 0.00 0.00 55.06 56.91 1xmq s HIS 29 Cb -0.23 -3.92 1.14 0.00 -0.13 0.00 0.00 32.58 29.44 1xmq s HIS 29 CO 0.27 -3.34 1.66 -1.00 -2.47 0.00 0.00 174.74 169.86 1xmq h PRO 30 N 6.51 0.28 0.00 2.88 0.13 -1.92 -1.97 132.00 137.90 1xmq h PRO 30 Ca -0.43 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 1xmq h PRO 30 Cb 1.21 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1xmq h PRO 30 CO 0.89 0.19 -1.50 -0.11 -0.23 0.00 0.00 178.00 177.24 1xmq n LEU 31 N -5.00 2.83 -0.23 1.56 7.94 -1.26 -4.71 117.00 118.13 1xmq n LEU 31 Ca 0.32 -0.04 0.14 0.00 -1.11 0.00 0.00 56.01 55.32 1xmq n LEU 31 Cb 1.04 -0.28 0.58 0.00 0.53 0.00 0.00 43.42 45.30 1xmq n LEU 31 CO 0.11 0.62 0.86 -1.22 -1.11 0.00 0.00 177.39 176.65 1xmq n TYR 32 N -2.73 0.00 0.00 1.96 0.53 -1.23 -4.97 117.16 110.72 1xmq n TYR 32 Ca -0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.73 1xmq n TYR 32 Cb 0.67 -0.09 0.00 0.00 -1.03 0.00 0.00 39.34 38.88 1xmq n TYR 32 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1xmq n GLY 33 N 1.23 0.68 3.51 2.72 0.00 -0.74 -4.90 105.19 107.68 1xmq n GLY 33 Ca 0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.72 1xmq n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xmq n LYS 34 N 0.00 0.79 -2.20 1.61 2.85 -1.26 -3.30 118.16 116.66 1xmq n LYS 34 Ca 0.00 0.28 -0.42 0.00 -1.05 0.00 0.00 58.31 57.12 1xmq n LYS 34 Cb 0.00 -1.52 -0.03 0.00 -0.65 0.00 0.00 35.03 32.83 1xmq n LYS 34 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1xmq s VAL 35 N -0.96 3.68 0.07 0.58 1.01 -1.26 -1.82 120.40 121.70 1xmq s VAL 35 Ca 0.62 1.05 0.07 0.00 0.00 0.00 0.00 61.98 63.72 1xmq s VAL 35 Cb -0.81 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 1xmq s VAL 35 CO 0.58 -0.01 -0.14 0.27 0.00 0.00 0.00 175.10 175.80 1xmq s ILE 36 N 2.56 3.11 -0.25 2.22 -4.36 0.55 -4.88 121.20 120.14 1xmq s ILE 36 Ca 0.65 -1.19 -0.05 0.00 -0.26 0.00 0.00 60.65 59.80 1xmq s ILE 36 Cb -0.32 -2.38 -0.00 0.00 1.25 0.00 0.00 42.46 41.01 1xmq s ILE 36 CO 0.27 0.24 -0.00 -0.75 0.24 0.00 0.00 174.94 174.94 1xmq s LYS 37 N -1.77 3.26 0.21 0.37 2.20 -1.26 -0.89 119.74 121.84 1xmq s LYS 37 Ca 0.18 -0.72 0.10 0.00 -0.36 0.00 0.00 55.97 55.17 1xmq s LYS 37 Cb -0.11 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 1xmq s LYS 37 CO 0.09 -0.29 -0.16 0.50 -0.36 0.00 0.00 175.35 175.12 1xmq s ARG 38 N 1.48 1.80 0.20 4.03 6.06 -0.75 -4.96 118.95 126.80 1xmq s ARG 38 Ca 0.04 -1.45 0.02 0.00 -2.50 0.00 0.00 55.73 51.84 1xmq s ARG 38 Cb -0.15 -1.98 -0.05 0.00 0.06 0.00 0.00 34.95 32.83 1xmq s ARG 38 CO -0.01 0.40 0.00 -1.54 -2.50 0.00 0.00 175.30 171.65 1xmq s SER 39 N -2.91 1.43 -0.20 -2.12 1.04 -1.26 0.37 113.70 110.04 1xmq s SER 39 Ca 0.24 -1.19 -0.16 0.00 0.48 0.00 0.00 55.95 55.32 1xmq s SER 39 Cb -0.08 0.08 0.06 0.00 0.10 0.00 0.00 66.02 66.18 1xmq s SER 39 CO 0.13 -0.55 0.52 -0.75 0.98 0.00 0.00 173.24 173.57 1xmq s LYS 40 N -3.90 0.57 0.00 4.02 2.20 -0.54 -4.97 119.74 117.13 1xmq s LYS 40 Ca 0.26 0.82 -0.20 0.00 -0.36 0.00 0.00 55.97 56.49 1xmq s LYS 40 Cb 0.06 0.19 -0.06 0.00 -1.51 0.00 0.00 37.83 36.52 1xmq s LYS 40 CO 0.06 -0.11 0.58 0.15 -0.36 0.00 0.00 175.35 175.67 1xmq s LYS 41 N 0.77 4.28 -0.02 4.03 1.02 -1.26 -0.01 119.74 128.56 1xmq s LYS 41 Ca -0.04 0.71 0.07 0.00 0.02 0.00 0.00 55.97 56.73 1xmq s LYS 41 Cb -0.05 -3.32 -0.02 0.00 -0.52 0.00 0.00 37.83 33.92 1xmq s LYS 41 CO -0.06 0.42 -0.24 0.71 -0.92 0.00 0.00 175.35 175.26 1xmq s TYR 42 N -0.35 2.12 -0.57 3.18 1.51 0.11 -4.91 117.35 118.43 1xmq s TYR 42 Ca 0.30 -0.40 -0.18 0.00 -1.01 0.00 0.00 57.07 55.78 1xmq s TYR 42 Cb -0.18 -1.36 0.10 0.00 -0.11 0.00 0.00 41.96 40.41 1xmq s TYR 42 CO 0.17 -0.03 0.65 -0.51 -1.11 0.00 0.00 175.55 174.72 1xmq s LEU 43 N -0.58 5.49 0.47 -1.29 1.43 -1.26 0.82 118.68 123.76 1xmq s LEU 43 Ca 0.09 -1.44 -0.05 0.00 -1.03 0.00 0.00 54.13 51.70 1xmq s LEU 43 Cb -0.09 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 1xmq s LEU 43 CO -0.01 -1.04 0.76 0.00 0.23 0.00 0.00 176.35 176.30 1xmq s ALA 44 N 2.47 3.43 -0.16 4.21 0.00 0.08 -4.19 121.76 127.60 1xmq s ALA 44 Ca 0.10 -0.54 -0.18 0.00 0.00 0.00 0.00 51.96 51.34 1xmq s ALA 44 Cb -0.25 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 1xmq s ALA 44 CO 0.06 -0.32 0.47 -1.58 0.00 0.00 0.00 175.76 174.39 1xmq s HIS 45 N -2.70 3.44 -0.59 0.00 2.46 0.17 -1.82 115.29 116.25 1xmq s HIS 45 Ca 0.47 0.79 0.05 0.00 0.47 0.00 0.00 55.06 56.84 1xmq s HIS 45 Cb -0.10 -2.57 0.20 0.00 -0.13 0.00 0.00 32.58 29.97 1xmq s HIS 45 CO 0.44 0.05 0.53 -3.47 -2.47 0.00 0.00 174.74 169.82 1xmq n ASP 46 N 4.16 2.09 -0.48 9.88 4.64 -0.30 -2.55 116.55 133.99 1xmq n ASP 46 Ca -0.07 -3.02 0.40 0.00 -1.38 0.00 0.00 54.79 50.72 1xmq n ASP 46 Cb 0.51 -0.68 0.71 0.00 -1.04 0.00 0.00 41.12 40.62 1xmq n ASP 46 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1xmq h PRO 47 N 4.98 0.07 -0.99 -0.67 0.11 -1.96 -1.86 132.00 131.68 1xmq h PRO 47 Ca 0.18 -0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.72 1xmq h PRO 47 Cb 0.78 -0.02 -0.42 0.00 0.11 0.00 0.00 31.00 31.45 1xmq h PRO 47 CO 0.64 0.05 -0.73 0.39 -0.21 0.00 0.00 178.00 178.14 1xmq n GLU 48 N -4.38 3.53 -3.09 1.05 1.02 -1.26 -4.88 120.64 112.63 1xmq n GLU 48 Ca 0.36 -4.24 0.00 0.00 -0.02 0.00 0.00 57.16 53.26 1xmq n GLU 48 Cb 1.51 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 1xmq n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xmq n GLU 49 N -0.65 -0.92 -0.10 3.49 -0.58 -0.70 -4.73 120.64 116.45 1xmq n GLU 49 Ca 0.43 -0.40 -0.24 0.00 -0.42 0.00 0.00 57.16 56.53 1xmq n GLU 49 Cb 0.87 0.71 -0.11 0.00 -0.57 0.00 0.00 31.44 32.34 1xmq n GLU 49 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1xmq n LYS 50 N -0.81 0.62 -2.65 3.49 4.81 -1.26 -4.97 118.16 117.38 1xmq n LYS 50 Ca 0.00 0.35 -0.36 0.00 -0.87 0.00 0.00 58.31 57.43 1xmq n LYS 50 Cb 0.00 -1.62 -0.05 0.00 0.02 0.00 0.00 35.03 33.38 1xmq n LYS 50 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1xmq s TYR 51 N -2.47 3.37 0.42 5.64 1.51 -1.26 -5.07 117.35 119.50 1xmq s TYR 51 Ca -0.32 1.67 0.06 0.00 -1.01 0.00 0.00 57.07 57.47 1xmq s TYR 51 Cb 0.10 -3.03 -0.07 0.00 -0.11 0.00 0.00 41.96 38.85 1xmq s TYR 51 CO 0.59 -0.34 0.02 0.15 -1.11 0.00 0.00 175.55 174.85 1xmq s LYS 52 N -2.51 1.97 0.34 -0.62 3.01 -1.26 -4.97 119.74 115.70 1xmq s LYS 52 Ca 0.57 -2.14 -0.28 0.00 -1.01 0.00 0.00 55.97 53.10 1xmq s LYS 52 Cb -0.19 -1.53 -0.12 0.00 -1.01 0.00 0.00 37.83 34.98 1xmq s LYS 52 CO 0.24 -0.12 1.37 1.28 0.51 0.00 0.00 175.35 178.63 1xmq n LEU 53 N -0.99 3.89 0.00 3.17 4.32 -1.26 -2.48 117.00 123.64 1xmq n LEU 53 Ca -0.07 1.20 0.00 0.00 -0.02 0.00 0.00 56.01 57.12 1xmq n LEU 53 Cb 0.67 -1.52 0.00 0.00 -1.62 0.00 0.00 43.42 40.95 1xmq n LEU 53 CO 0.46 -0.27 0.00 0.61 -1.22 0.00 0.00 177.39 176.97 1xmq n GLY 54 N 0.91 1.85 3.71 -0.72 0.00 -0.96 -4.67 105.19 105.30 1xmq n GLY 54 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1xmq n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xmq s ASP 55 N -3.22 7.23 -0.14 1.61 1.01 -1.04 -3.26 116.67 118.86 1xmq s ASP 55 Ca 0.00 1.78 -0.24 0.00 0.71 0.00 0.00 52.55 54.80 1xmq s ASP 55 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 1xmq s ASP 55 CO 0.00 -0.38 0.77 -0.69 0.21 0.00 0.00 175.17 175.08 1xmq s VAL 56 N 1.25 4.95 0.16 -1.27 1.01 -0.80 -2.16 120.40 123.54 1xmq s VAL 56 Ca 0.54 1.52 0.06 0.00 0.00 0.00 0.00 61.98 64.11 1xmq s VAL 56 Cb -0.24 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1xmq s VAL 56 CO 0.27 0.10 -0.13 0.68 0.00 0.00 0.00 175.10 176.02 1xmq s VAL 57 N 1.73 1.43 0.19 2.92 -7.23 -0.35 0.54 120.40 119.63 1xmq s VAL 57 Ca 0.37 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.48 1xmq s VAL 57 Cb -0.17 -1.81 -0.06 0.00 0.56 0.00 0.00 36.38 34.90 1xmq s VAL 57 CO 0.14 -0.58 0.45 -1.61 -0.31 0.00 0.00 175.10 173.20 1xmq s GLU 58 N -3.34 3.67 -0.05 4.82 2.02 0.28 -1.75 118.70 124.36 1xmq s GLU 58 Ca 0.16 0.02 0.04 0.00 0.02 0.00 0.00 54.97 55.21 1xmq s GLU 58 Cb -0.01 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.46 1xmq s GLU 58 CO 0.04 0.38 -0.16 0.42 0.02 0.00 0.00 175.26 175.96 1xmq s ILE 59 N -1.77 1.33 -0.11 -1.63 -1.09 0.57 -0.79 121.20 117.70 1xmq s ILE 59 Ca 0.43 -0.64 0.01 0.00 -2.23 0.00 0.00 60.65 58.22 1xmq s ILE 59 Cb -0.12 -1.16 -0.02 0.00 -1.58 0.00 0.00 42.46 39.59 1xmq s ILE 59 CO 0.24 0.39 -0.15 -0.51 -1.23 0.00 0.00 174.94 173.68 1xmq s ILE 60 N 0.20 2.91 0.21 2.92 -1.16 -0.35 -0.08 121.20 125.84 1xmq s ILE 60 Ca -0.07 -0.73 -0.32 0.00 -0.51 0.00 0.00 60.65 59.02 1xmq s ILE 60 Cb -0.12 -2.19 -0.14 0.00 0.61 0.00 0.00 42.46 40.62 1xmq s ILE 60 CO 0.03 0.54 1.43 1.21 -2.81 0.00 0.00 174.94 175.34 1xmq n GLU 61 N 3.28 1.97 -4.24 3.50 2.13 0.52 -2.47 120.64 125.32 1xmq n GLU 61 Ca -0.18 0.71 -0.17 0.00 0.66 0.00 0.00 57.16 58.18 1xmq n GLU 61 Cb 0.53 -2.38 -0.09 0.00 0.27 0.00 0.00 31.44 29.77 1xmq n GLU 61 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1xmq s SER 62 N 0.43 1.09 0.22 4.31 0.01 -0.40 -4.79 113.70 114.56 1xmq s SER 62 Ca 0.72 -1.61 -0.30 0.00 1.31 0.00 0.00 55.95 56.06 1xmq s SER 62 Cb -0.68 0.50 -0.09 0.00 0.21 0.00 0.00 66.02 65.95 1xmq s SER 62 CO 0.47 -0.99 1.39 -0.60 0.41 0.00 0.00 173.24 173.92 1xmq s ARG 63 N -3.69 4.32 0.20 12.44 3.52 -1.26 -4.66 118.95 129.82 1xmq s ARG 63 Ca 0.40 2.19 -0.31 0.00 -0.13 0.00 0.00 55.73 57.88 1xmq s ARG 63 Cb 0.04 -3.15 -0.16 0.00 -1.56 0.00 0.00 34.95 30.12 1xmq s ARG 63 CO 0.22 -0.36 0.93 -2.30 -0.81 0.00 0.00 175.30 172.98 1xmq n PRO 64 N 2.61 0.79 -0.00 5.12 -0.02 -1.26 -4.77 135.00 137.47 1xmq n PRO 64 Ca 0.07 0.28 0.01 0.00 -2.02 0.00 0.00 63.50 61.84 1xmq n PRO 64 Cb 0.41 -1.60 -0.01 0.00 -0.02 0.00 0.00 33.50 32.28 1xmq n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1xmq n ILE 65 N 0.72 0.00 -3.61 4.25 5.41 -0.70 -5.03 119.36 120.40 1xmq n ILE 65 Ca 0.15 -0.24 -0.01 0.00 1.00 0.00 0.00 62.75 63.65 1xmq n ILE 65 Cb 0.25 0.71 -0.01 0.00 -0.71 0.00 0.00 39.64 39.88 1xmq n ILE 65 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1xmq s SER 66 N -1.73 -0.04 0.27 4.38 1.04 -1.22 -5.05 113.70 111.35 1xmq s SER 66 Ca -0.00 -0.02 -0.31 0.00 0.48 0.00 0.00 55.95 56.11 1xmq s SER 66 Cb 0.01 0.05 -0.12 0.00 0.10 0.00 0.00 66.02 66.06 1xmq s SER 66 CO 0.08 -0.08 1.58 1.17 0.98 0.00 0.00 173.24 176.96 1xmq n LYS 67 N -0.18 2.56 -3.00 4.02 4.81 -1.26 -2.87 118.16 122.24 1xmq n LYS 67 Ca -0.00 0.91 -0.01 0.00 -0.87 0.00 0.00 58.31 58.34 1xmq n LYS 67 Cb 0.59 -2.68 0.01 0.00 0.02 0.00 0.00 35.03 32.97 1xmq n LYS 67 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1xmq n ARG 68 N 2.43 -1.33 0.00 1.64 0.63 -1.26 -5.00 116.66 113.77 1xmq n ARG 68 Ca 0.10 1.40 0.00 0.00 -0.92 0.00 0.00 57.85 58.43 1xmq n ARG 68 Cb 0.35 -5.57 0.00 0.00 0.45 0.00 0.00 32.46 27.69 1xmq n ARG 68 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1xmq n LYS 69 N -1.85 0.00 -1.72 -0.14 4.81 -1.14 -4.83 118.16 113.30 1xmq n LYS 69 Ca -0.01 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.33 1xmq n LYS 69 Cb 0.51 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.63 1xmq n LYS 69 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1xmq n ARG 70 N 0.00 2.50 -3.81 1.64 3.00 -1.26 -1.72 116.66 117.01 1xmq n ARG 70 Ca 0.00 -3.66 -0.11 0.00 -0.01 0.00 0.00 57.85 54.07 1xmq n ARG 70 Cb 0.00 -1.82 -0.08 0.00 0.00 0.00 0.00 32.46 30.56 1xmq n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1xmq s PHE 71 N -3.24 -0.00 0.04 -1.55 0.08 -1.26 -1.28 117.98 110.77 1xmq s PHE 71 Ca 0.43 -0.21 0.04 0.00 0.12 0.00 0.00 56.93 57.31 1xmq s PHE 71 Cb 0.38 0.02 -0.02 0.00 -0.57 0.00 0.00 43.02 42.83 1xmq s PHE 71 CO -0.02 -0.48 -0.13 1.03 -0.10 0.00 0.00 175.22 175.53 1xmq s ARG 72 N -2.72 0.83 -0.19 0.44 0.52 -1.03 0.44 118.95 117.24 1xmq s ARG 72 Ca -0.04 -0.77 -0.29 0.00 -0.52 0.00 0.00 55.73 54.11 1xmq s ARG 72 Cb -0.00 -0.80 -0.03 0.00 0.52 0.00 0.00 34.95 34.64 1xmq s ARG 72 CO -0.05 0.19 1.55 0.08 0.02 0.00 0.00 175.30 177.10 1xmq s VAL 73 N -0.97 3.79 -0.04 3.52 1.01 -1.06 -1.21 120.40 125.43 1xmq s VAL 73 Ca -0.01 0.91 -0.25 0.00 0.00 0.00 0.00 61.98 62.63 1xmq s VAL 73 Cb -0.08 -3.73 -0.20 0.00 0.00 0.00 0.00 36.38 32.37 1xmq s VAL 73 CO 0.01 -0.24 1.15 0.25 0.00 0.00 0.00 175.10 176.27 1xmq h LEU 74 N 11.08 -0.06 -7.68 3.92 6.46 -1.28 -3.47 115.31 124.28 1xmq h LEU 74 Ca -0.33 -0.49 0.24 0.00 -0.12 0.00 0.00 57.88 57.17 1xmq h LEU 74 Cb 1.15 0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 41.02 1xmq h LEU 74 CO 0.99 0.48 0.67 0.00 -0.62 0.00 0.00 178.44 179.96 1xmq s ARG 75 N -3.94 0.90 -0.20 1.25 1.70 -1.24 -4.96 118.95 112.47 1xmq s ARG 75 Ca -0.16 -0.54 -0.10 0.00 -0.47 0.00 0.00 55.73 54.46 1xmq s ARG 75 Cb 0.01 0.28 -0.05 0.00 -0.57 0.00 0.00 34.95 34.62 1xmq s ARG 75 CO 0.63 -0.42 0.15 -1.17 -1.08 0.00 0.00 175.30 173.41 1xmq s LEU 76 N -3.23 4.21 -0.15 -1.89 0.20 -1.26 -0.56 118.68 116.00 1xmq s LEU 76 Ca 0.18 0.25 -0.11 0.00 0.69 0.00 0.00 54.13 55.14 1xmq s LEU 76 Cb 0.00 -2.12 -0.06 0.00 -0.43 0.00 0.00 46.19 43.58 1xmq s LEU 76 CO 0.01 0.16 -0.09 0.58 -0.29 0.00 0.00 176.35 176.73 1xmq h VAL 77 N 4.70 0.19 -2.76 1.68 2.07 -0.25 -3.48 116.25 118.40 1xmq h VAL 77 Ca -0.41 -1.24 -0.18 0.00 0.82 0.00 0.00 66.70 65.69 1xmq h VAL 77 Cb 1.15 0.46 -0.31 0.00 -1.52 0.00 0.00 31.29 31.07 1xmq h VAL 77 CO 0.75 0.06 -0.48 -1.83 0.02 0.00 0.00 177.57 176.10 1xmq s GLU 78 N -2.24 0.20 0.82 1.57 -1.05 -1.18 -5.00 118.70 111.83 1xmq s GLU 78 Ca -0.17 0.83 -0.11 0.00 -0.15 0.00 0.00 54.97 55.37 1xmq s GLU 78 Cb 0.03 0.07 0.09 0.00 -0.44 0.00 0.00 34.13 33.87 1xmq s GLU 78 CO 0.29 -0.27 1.10 0.45 0.95 0.00 0.00 175.26 177.78 1xmq s SER 79 N 2.44 4.04 0.07 0.83 0.15 -1.26 -1.90 113.70 118.06 1xmq s SER 79 Ca -0.00 1.84 0.00 0.00 0.70 0.00 0.00 55.95 58.49 1xmq s SER 79 Cb -0.12 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1xmq s SER 79 CO -0.10 -2.33 0.00 0.61 1.20 0.00 0.00 173.24 172.62 1xmq n GLY 80 N -0.93 -0.69 0.00 9.45 0.00 -1.25 -4.88 105.19 106.90 1xmq n GLY 80 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1xmq n GLY 80 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xmq n ARG 81 N -0.12 0.00 0.26 1.61 1.85 -1.20 -4.89 116.66 114.17 1xmq n ARG 81 Ca 0.00 0.00 0.14 0.00 -1.00 0.00 0.00 57.85 56.99 1xmq n ARG 81 Cb 0.00 0.00 0.63 0.00 -1.05 0.00 0.00 32.46 32.04 1xmq n ARG 81 CO 0.00 0.00 0.00 0.52 -0.01 0.00 0.00 177.63 178.14 1xmq h MET 82 N 0.00 0.00 -0.99 2.89 2.86 -1.90 -3.21 114.93 114.58 1xmq h MET 82 Ca 0.00 0.00 0.36 0.00 -2.06 0.00 0.00 59.70 58.00 1xmq h MET 82 Cb 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 31.49 1xmq h MET 82 CO 0.00 0.12 0.49 0.38 1.06 0.00 0.00 176.91 178.96 1xmq h ASP 83 N 0.00 0.31 0.17 1.22 2.03 -1.96 1.40 116.42 119.59 1xmq h ASP 83 Ca -0.00 0.23 -0.01 0.00 -0.73 0.00 0.00 57.03 56.52 1xmq h ASP 83 Cb 0.54 0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.28 1xmq h ASP 83 CO 0.02 -0.30 -0.08 -0.07 -1.03 0.00 0.00 179.24 177.78 1xmq h LEU 84 N 0.14 -0.19 -1.33 0.15 3.38 -1.96 -2.63 115.31 112.86 1xmq h LEU 84 Ca 0.77 -0.33 0.21 0.00 0.09 0.00 0.00 57.88 58.62 1xmq h LEU 84 Cb 1.88 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 42.59 1xmq h LEU 84 CO -0.71 0.28 0.62 0.58 0.09 0.00 0.00 178.44 179.30 1xmq h VAL 85 N -0.73 0.66 0.91 1.22 2.07 0.16 -2.17 116.25 118.38 1xmq h VAL 85 Ca -0.02 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1xmq h VAL 85 Cb 0.51 0.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1xmq h VAL 85 CO 0.04 0.09 -0.44 -0.33 0.02 0.00 0.00 177.57 176.96 1xmq h GLU 86 N 0.52 -1.17 -0.94 1.57 4.39 0.16 -0.50 114.58 118.61 1xmq h GLU 86 Ca 0.52 0.08 0.18 0.00 0.34 0.00 0.00 59.36 60.48 1xmq h GLU 86 Cb 1.14 0.27 -0.17 0.00 -0.10 0.00 0.00 28.75 29.89 1xmq h GLU 86 CO -0.26 -0.78 -0.28 0.87 -1.16 0.00 0.00 179.01 177.40 1xmq h LYS 87 N -1.27 -0.01 0.33 2.33 1.57 -1.02 0.11 116.57 118.60 1xmq h LYS 87 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1xmq h LYS 87 Cb 0.94 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.22 1xmq h LYS 87 CO 0.20 -0.01 -0.42 -0.92 -0.57 0.00 0.00 179.45 177.74 1xmq h TYR 88 N -0.01 -1.17 -0.77 -1.35 3.20 -1.20 -1.10 116.97 114.57 1xmq h TYR 88 Ca 0.42 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.41 1xmq h TYR 88 Cb 0.66 0.47 -0.08 0.00 1.54 0.00 0.00 36.73 39.32 1xmq h TYR 88 CO -0.76 -0.56 0.39 -0.07 -1.64 0.00 0.00 178.16 175.51 1xmq h LEU 89 N -0.80 0.50 -0.16 2.82 3.38 0.83 -0.54 115.31 121.34 1xmq h LEU 89 Ca -0.02 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xmq h LEU 89 Cb 0.74 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1xmq h LEU 89 CO -0.12 0.26 0.09 0.40 0.09 0.00 0.00 178.44 179.15 1xmq h ILE 90 N 0.62 1.10 -0.45 1.22 2.04 -0.90 0.18 117.51 121.32 1xmq h ILE 90 Ca 0.39 -0.27 0.05 0.00 1.00 0.00 0.00 64.86 66.04 1xmq h ILE 90 Cb 0.47 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1xmq h ILE 90 CO -0.30 0.09 0.30 -0.09 0.00 0.00 0.00 178.15 178.15 1xmq h ARG 91 N 0.16 0.38 -0.13 2.37 1.12 -0.53 0.23 114.38 117.99 1xmq h ARG 91 Ca 0.06 -0.02 -0.18 0.00 -1.11 0.00 0.00 59.98 58.72 1xmq h ARG 91 Cb 0.07 -0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 29.94 1xmq h ARG 91 CO -0.01 0.25 -0.68 -0.09 -3.11 0.00 0.00 179.97 176.33 1xmq h ARG 92 N 0.39 0.52 -0.10 0.20 2.43 -0.13 -3.21 114.38 114.48 1xmq h ARG 92 Ca 0.19 -0.40 -0.19 0.00 -0.81 0.00 0.00 59.98 58.78 1xmq h ARG 92 Cb 0.27 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1xmq h ARG 92 CO -0.05 1.02 -0.72 0.37 -1.51 0.00 0.00 179.97 179.09 1xmq h GLN 93 N 0.37 0.49 -0.67 0.20 4.15 0.81 -2.97 115.11 117.49 1xmq h GLN 93 Ca -0.02 -0.39 0.18 0.00 0.77 0.00 0.00 58.65 59.19 1xmq h GLN 93 Cb 1.26 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.99 1xmq h GLN 93 CO 0.13 1.02 0.47 -0.91 -1.93 0.00 0.00 178.83 177.60 1xmq h ASN 94 N 0.34 0.10 -0.55 -0.69 2.35 -0.63 -1.85 115.58 114.65 1xmq h ASN 94 Ca -0.03 0.01 0.09 0.00 -0.55 0.00 0.00 56.30 55.82 1xmq h ASN 94 Cb 1.30 -0.01 -0.07 0.00 0.05 0.00 0.00 38.32 39.58 1xmq h ASN 94 CO 0.13 0.05 0.16 1.88 -1.65 0.00 0.00 177.43 178.00 1xmq h TYR 95 N 0.11 0.28 -1.06 1.19 -1.99 -1.58 -3.27 116.97 110.64 1xmq h TYR 95 Ca 0.32 0.03 -0.38 0.00 2.00 0.00 0.00 58.73 60.71 1xmq h TYR 95 Cb 1.12 -0.04 -0.05 0.00 2.00 0.00 0.00 36.73 39.76 1xmq h TYR 95 CO -0.00 0.05 0.95 -1.14 -0.00 0.00 0.00 178.16 178.02 1xmq s GLN 96 N -6.12 2.70 0.00 4.88 -0.44 -0.70 -2.88 119.66 117.11 1xmq s GLN 96 Ca -0.13 -0.21 0.00 0.00 -2.50 0.00 0.00 55.36 52.52 1xmq s GLN 96 Cb 0.16 -4.94 0.00 0.00 -1.64 0.00 0.00 33.01 26.60 1xmq s GLN 96 CO 0.74 -3.08 0.00 0.45 0.50 0.00 0.00 175.29 173.89 1xmq n SER 97 N 13.02 0.00 -4.56 6.67 2.88 -1.23 -3.87 113.62 126.53 1xmq n SER 97 Ca 0.34 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.69 1xmq n SER 97 Cb 0.48 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 1xmq n SER 97 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1xmq s LEU 98 N 0.00 3.01 0.00 2.46 1.02 -1.14 -3.97 118.68 120.06 1xmq s LEU 98 Ca 0.00 0.25 0.00 0.00 0.02 0.00 0.00 54.13 54.40 1xmq s LEU 98 Cb 0.00 -2.54 0.00 0.00 0.02 0.00 0.00 46.19 43.67 1xmq s LEU 98 CO 0.00 -3.58 0.00 -1.54 0.02 0.00 0.00 176.35 171.25 1xmq n SER 99 N 17.75 0.00 -0.12 2.29 3.41 -1.26 -4.99 113.62 130.70 1xmq n SER 99 Ca 0.44 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 59.09 1xmq n SER 99 Cb 0.46 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 1xmq n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xmq n LYS 100 N 0.00 3.02 0.00 4.33 5.02 -1.26 -5.05 118.16 124.22 1xmq n LYS 100 Ca 0.00 -0.32 0.00 0.00 -2.02 0.00 0.00 58.31 55.97 1xmq n LYS 100 Cb 0.00 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1xmq n LYS 100 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1xmq n ARG 101 N -0.69 0.00 -3.48 1.97 5.12 -1.26 -5.17 116.66 113.15 1xmq n ARG 101 Ca 0.03 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.93 1xmq n ARG 101 Cb 0.17 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.42 1xmq n ARG 101 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1xmq s GLY 102 N 0.00 -0.68 0.00 -0.13 0.00 -1.25 -4.70 107.32 100.55 1xmq s GLY 102 Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 44.72 46.58 1xmq s GLY 102 CO 0.00 2.96 0.00 0.61 0.00 0.00 0.00 173.10 176.67 1xmq n GLY 103 N 5.42 0.83 3.88 0.20 0.00 -1.25 -4.96 105.19 109.32 1xmq n GLY 103 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 1xmq n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xmq s LYS 104 N 0.34 2.53 0.00 1.61 -0.14 -1.26 -5.01 119.74 117.81 1xmq s LYS 104 Ca 0.00 -1.54 0.00 0.00 -1.36 0.00 0.00 55.97 53.07 1xmq s LYS 104 Cb 0.00 -2.39 0.00 0.00 -1.68 0.00 0.00 37.83 33.76 1xmq s LYS 104 CO 0.00 -0.22 0.46 0.00 -0.76 0.00 0.00 175.35 174.83