#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnr n LYS 3 N 0.00 1.27 -1.75 0.54 5.02 -1.26 -4.83 118.16 117.15 1xnr n LYS 3 Ca 0.00 0.46 -0.41 0.00 -2.02 0.00 0.00 58.31 56.34 1xnr n LYS 3 Cb 0.00 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 32.90 1xnr n LYS 3 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1xnr n LYS 4 N 2.57 2.45 -4.41 1.97 3.00 -1.26 -4.71 118.16 117.77 1xnr n LYS 4 Ca 0.18 0.86 -0.27 0.00 -0.00 0.00 0.00 58.31 59.08 1xnr n LYS 4 Cb 0.21 -2.56 -0.17 0.00 0.00 0.00 0.00 35.03 32.51 1xnr n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1xnr s VAL 5 N -1.13 1.28 0.21 3.15 1.01 -1.26 -0.63 120.40 123.04 1xnr s VAL 5 Ca 0.55 -0.52 0.11 0.00 0.00 0.00 0.00 61.98 62.13 1xnr s VAL 5 Cb -0.50 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1xnr s VAL 5 CO 0.62 0.40 -0.22 -0.76 0.00 0.00 0.00 175.10 175.14 1xnr s LEU 6 N 0.99 2.52 -0.08 3.92 1.43 -0.14 -4.91 118.68 122.41 1xnr s LEU 6 Ca -0.08 -0.88 0.04 0.00 -1.03 0.00 0.00 54.13 52.18 1xnr s LEU 6 Cb -0.15 -1.19 -0.01 0.00 0.03 0.00 0.00 46.19 44.86 1xnr s LEU 6 CO -0.01 0.10 -0.20 -0.89 0.23 0.00 0.00 176.35 175.58 1xnr s THR 7 N -1.88 2.51 0.00 5.49 2.01 -1.26 0.24 115.64 122.75 1xnr s THR 7 Ca 0.23 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1xnr s THR 7 Cb -0.07 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.46 1xnr s THR 7 CO 0.12 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.22 1xnr n GLY 8 N 3.08 3.03 3.10 4.40 0.00 -0.56 -4.44 105.19 113.80 1xnr n GLY 8 Ca -0.18 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 1xnr n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xnr s VAL 9 N -2.67 1.30 0.13 1.61 1.01 -0.64 -2.23 120.40 118.90 1xnr s VAL 9 Ca 0.00 -0.63 -0.31 0.00 0.00 0.00 0.00 61.98 61.04 1xnr s VAL 9 Cb 0.00 -1.13 -0.08 0.00 0.00 0.00 0.00 36.38 35.17 1xnr s VAL 9 CO 0.00 0.38 1.36 -0.69 0.00 0.00 0.00 175.10 176.15 1xnr s VAL 10 N 0.18 3.35 0.00 2.92 1.01 -1.02 -1.39 120.40 125.45 1xnr s VAL 10 Ca -0.06 0.99 0.00 0.00 0.00 0.00 0.00 61.98 62.91 1xnr s VAL 10 Cb -0.12 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1xnr s VAL 10 CO 0.02 0.09 0.60 1.33 0.00 0.00 0.00 175.10 177.15 1xnr n VAL 11 N 3.70 0.36 -3.64 2.92 0.24 0.07 -2.87 118.33 119.11 1xnr n VAL 11 Ca 0.10 -0.46 -0.02 0.00 -2.04 0.00 0.00 64.34 61.92 1xnr n VAL 11 Cb 0.43 0.98 -0.05 0.00 -1.47 0.00 0.00 33.84 33.73 1xnr n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1xnr s SER 12 N -0.36 -1.08 -0.03 -1.34 0.15 -1.25 -4.96 113.70 104.83 1xnr s SER 12 Ca 0.00 1.53 0.05 0.00 0.70 0.00 0.00 55.95 58.23 1xnr s SER 12 Cb 0.00 2.10 0.07 0.00 -1.71 0.00 0.00 66.02 66.48 1xnr s SER 12 CO 0.00 -0.22 1.00 -0.67 1.20 0.00 0.00 173.24 174.55 1xnr n ASP 13 N 5.20 1.86 0.00 5.45 4.64 -1.26 -1.04 116.55 131.40 1xnr n ASP 13 Ca -0.13 -2.19 0.03 0.00 -1.38 0.00 0.00 54.79 51.11 1xnr n ASP 13 Cb 0.51 -0.12 0.17 0.00 -1.04 0.00 0.00 41.12 40.65 1xnr n ASP 13 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1xnr n LYS 14 N -0.68 0.38 -4.40 -0.67 5.02 -1.26 -4.74 118.16 111.81 1xnr n LYS 14 Ca 0.04 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.09 1xnr n LYS 14 Cb 0.38 -1.24 -0.09 0.00 -0.02 0.00 0.00 35.03 34.06 1xnr n LYS 14 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1xnr s MET 15 N -2.00 1.85 0.08 1.97 -1.94 -1.26 -5.11 119.30 112.90 1xnr s MET 15 Ca 0.09 -1.59 -0.30 0.00 -1.71 0.00 0.00 55.69 52.18 1xnr s MET 15 Cb 0.04 -1.92 -0.05 0.00 2.01 0.00 0.00 34.83 34.91 1xnr s MET 15 CO 0.07 0.36 0.98 -0.65 -0.01 0.00 0.00 175.02 175.77 1xnr s GLN 16 N -3.35 4.64 -0.59 2.03 -0.21 -1.26 -3.78 119.66 117.13 1xnr s GLN 16 Ca 0.28 1.47 0.00 0.00 0.02 0.00 0.00 55.36 57.13 1xnr s GLN 16 Cb -0.06 -3.40 0.00 0.00 1.00 0.00 0.00 33.01 30.55 1xnr s GLN 16 CO 0.15 0.11 0.00 1.63 -2.12 0.00 0.00 175.29 175.06 1xnr n LYS 17 N 3.15 -2.31 -3.73 2.91 5.02 -1.26 -4.91 118.16 117.02 1xnr n LYS 17 Ca 0.04 0.33 -0.12 0.00 -2.02 0.00 0.00 58.31 56.54 1xnr n LYS 17 Cb 0.49 -4.81 -0.11 0.00 -0.02 0.00 0.00 35.03 30.59 1xnr n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1xnr s THR 18 N -2.19 -0.01 0.12 -0.18 2.01 -1.25 -1.48 115.64 112.67 1xnr s THR 18 Ca 0.00 0.03 0.07 0.00 0.31 0.00 0.00 61.69 62.10 1xnr s THR 18 Cb 0.00 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 1xnr s THR 18 CO 0.00 0.01 -0.16 0.68 -0.69 0.00 0.00 174.62 174.46 1xnr s VAL 19 N 0.55 1.46 -0.22 3.82 -7.23 -0.55 -4.06 120.40 114.17 1xnr s VAL 19 Ca -0.03 -1.69 -0.11 0.00 -1.81 0.00 0.00 61.98 58.33 1xnr s VAL 19 Cb -0.04 -1.55 -0.05 0.00 0.56 0.00 0.00 36.38 35.29 1xnr s VAL 19 CO -0.03 -0.33 0.19 -0.89 -0.31 0.00 0.00 175.10 173.73 1xnr s THR 20 N -1.90 5.35 -0.24 5.32 2.01 -0.21 -1.53 115.64 124.44 1xnr s THR 20 Ca 0.09 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.37 1xnr s THR 20 Cb -0.06 -3.53 0.03 0.00 0.01 0.00 0.00 72.50 68.95 1xnr s THR 20 CO 0.04 0.36 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.53 1xnr s VAL 21 N 0.89 2.52 -0.34 3.82 1.01 0.42 -0.75 120.40 127.95 1xnr s VAL 21 Ca 0.10 -1.15 -0.23 0.00 0.00 0.00 0.00 61.98 60.69 1xnr s VAL 21 Cb -0.13 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 33.98 1xnr s VAL 21 CO 0.03 0.22 0.79 -0.22 0.00 0.00 0.00 175.10 175.93 1xnr s LEU 22 N 1.26 4.10 -0.43 3.92 0.20 -0.48 0.69 118.68 127.95 1xnr s LEU 22 Ca -0.01 0.48 -0.06 0.00 0.69 0.00 0.00 54.13 55.23 1xnr s LEU 22 Cb -0.17 -3.06 0.11 0.00 -0.43 0.00 0.00 46.19 42.64 1xnr s LEU 22 CO -0.07 -0.70 0.25 -0.69 -0.29 0.00 0.00 176.35 174.86 1xnr s VAL 23 N 3.07 3.73 0.33 1.68 1.01 0.26 -1.61 120.40 128.86 1xnr s VAL 23 Ca 0.32 -1.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.17 1xnr s VAL 23 Cb -0.13 -3.46 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 1xnr s VAL 23 CO 0.15 -0.67 1.35 -0.70 0.00 0.00 0.00 175.10 175.24 1xnr s GLU 24 N 1.26 4.30 0.11 2.72 2.12 -1.26 -3.04 118.70 124.92 1xnr s GLU 24 Ca 0.06 2.29 0.07 0.00 0.36 0.00 0.00 54.97 57.74 1xnr s GLU 24 Cb -0.24 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 1xnr s GLU 24 CO -0.02 -0.27 -0.17 0.50 -0.54 0.00 0.00 175.26 174.76 1xnr s ARG 25 N -1.67 1.06 0.01 4.30 3.52 0.44 -4.97 118.95 121.65 1xnr s ARG 25 Ca 0.51 -1.19 0.00 0.00 -0.13 0.00 0.00 55.73 54.92 1xnr s ARG 25 Cb -0.41 -1.11 -0.01 0.00 -1.56 0.00 0.00 34.95 31.86 1xnr s ARG 25 CO 0.53 0.24 -0.03 -1.14 -0.81 0.00 0.00 175.30 174.10 1xnr s GLN 26 N -2.28 0.22 -0.22 5.12 0.74 -1.26 0.25 119.66 122.22 1xnr s GLN 26 Ca 0.07 -0.32 -0.33 0.00 0.05 0.00 0.00 55.36 54.83 1xnr s GLN 26 Cb -0.08 -0.06 0.15 0.00 1.10 0.00 0.00 33.01 34.13 1xnr s GLN 26 CO 0.04 0.01 1.24 -0.59 -0.55 0.00 0.00 175.29 175.44 1xnr s PHE 27 N -0.66 -0.12 0.09 1.67 -0.12 -0.56 -4.99 117.98 113.30 1xnr s PHE 27 Ca -0.06 0.13 -0.31 0.00 -0.05 0.00 0.00 56.93 56.64 1xnr s PHE 27 Cb -0.05 0.50 -0.07 0.00 -0.63 0.00 0.00 43.02 42.77 1xnr s PHE 27 CO -0.00 -0.15 1.39 -1.25 -0.05 0.00 0.00 175.22 175.15 1xnr s PRO 28 N -1.85 4.32 0.10 1.99 0.04 -1.26 0.48 135.00 138.82 1xnr s PRO 28 Ca 0.08 2.04 -0.31 0.00 0.04 0.00 0.00 61.00 62.85 1xnr s PRO 28 Cb -0.01 -3.33 -0.08 0.00 0.04 0.00 0.00 34.50 31.12 1xnr s PRO 28 CO -0.05 -0.46 1.46 -1.58 0.04 0.00 0.00 177.00 176.42 1xnr s HIS 29 N 1.40 3.03 0.38 0.56 2.46 0.15 -4.87 115.29 118.40 1xnr s HIS 29 Ca 0.64 0.78 0.19 0.00 0.47 0.00 0.00 55.06 57.14 1xnr s HIS 29 Cb -0.35 -3.77 1.18 0.00 -0.13 0.00 0.00 32.58 29.51 1xnr s HIS 29 CO 0.29 -2.81 1.68 -1.00 -2.47 0.00 0.00 174.74 170.43 1xnr h PRO 30 N 7.19 0.28 0.00 2.88 0.13 -1.93 -1.47 132.00 139.08 1xnr h PRO 30 Ca -0.42 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 1xnr h PRO 30 Cb 1.20 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1xnr h PRO 30 CO 0.89 0.18 -1.24 -0.11 -0.23 0.00 0.00 178.00 177.49 1xnr n LEU 31 N -4.85 1.39 -0.70 1.56 7.94 -1.26 -4.73 117.00 116.34 1xnr n LEU 31 Ca 0.32 -0.01 0.12 0.00 -1.11 0.00 0.00 56.01 55.32 1xnr n LEU 31 Cb 1.07 -0.03 0.35 0.00 0.53 0.00 0.00 43.42 45.35 1xnr n LEU 31 CO 0.16 0.31 0.77 -1.22 -1.11 0.00 0.00 177.39 176.30 1xnr n TYR 32 N -2.36 0.19 0.00 1.96 0.53 -1.23 -4.96 117.16 111.29 1xnr n TYR 32 Ca -0.07 -0.09 0.00 0.00 -1.02 0.00 0.00 57.90 56.72 1xnr n TYR 32 Cb 0.60 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.91 1xnr n TYR 32 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1xnr n GLY 33 N 1.24 0.67 3.52 2.72 0.00 -0.56 -4.91 105.19 107.87 1xnr n GLY 33 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1xnr n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xnr n LYS 34 N 0.00 0.92 -2.88 1.61 4.81 -1.26 -3.81 118.16 117.54 1xnr n LYS 34 Ca 0.00 0.33 -0.42 0.00 -0.87 0.00 0.00 58.31 57.35 1xnr n LYS 34 Cb 0.00 -1.67 -0.04 0.00 0.02 0.00 0.00 35.03 33.33 1xnr n LYS 34 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1xnr s VAL 35 N -1.25 4.69 -0.08 3.15 1.01 -1.26 0.32 120.40 126.98 1xnr s VAL 35 Ca 0.62 1.17 -0.03 0.00 0.00 0.00 0.00 61.98 63.74 1xnr s VAL 35 Cb -0.66 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.45 1xnr s VAL 35 CO 0.58 -0.39 0.05 0.27 0.00 0.00 0.00 175.10 175.61 1xnr s ILE 36 N 3.20 4.72 0.23 2.22 -4.36 0.18 -4.85 121.20 122.53 1xnr s ILE 36 Ca 0.35 -0.15 -0.10 0.00 -0.26 0.00 0.00 60.65 60.50 1xnr s ILE 36 Cb -0.13 -3.03 -0.07 0.00 1.25 0.00 0.00 42.46 40.47 1xnr s ILE 36 CO 0.15 0.57 0.55 -0.75 0.24 0.00 0.00 174.94 175.71 1xnr s LYS 37 N -1.06 3.81 0.03 0.37 2.20 -1.26 -1.49 119.74 122.33 1xnr s LYS 37 Ca 0.15 0.28 -0.25 0.00 -0.36 0.00 0.00 55.97 55.80 1xnr s LYS 37 Cb -0.12 -2.64 0.06 0.00 -1.51 0.00 0.00 37.83 33.62 1xnr s LYS 37 CO 0.05 0.31 0.57 0.50 -0.36 0.00 0.00 175.35 176.41 1xnr s ARG 38 N -2.83 1.06 0.27 4.03 6.06 0.14 -4.97 118.95 122.71 1xnr s ARG 38 Ca 0.48 -0.13 0.02 0.00 -2.50 0.00 0.00 55.73 53.60 1xnr s ARG 38 Cb -0.11 0.49 -0.04 0.00 0.06 0.00 0.00 34.95 35.35 1xnr s ARG 38 CO 0.21 -0.38 0.14 -1.54 -2.50 0.00 0.00 175.30 171.23 1xnr s SER 39 N -1.84 1.15 -0.28 -2.12 1.04 -1.26 0.17 113.70 110.56 1xnr s SER 39 Ca -0.06 -1.48 -0.20 0.00 0.48 0.00 0.00 55.95 54.69 1xnr s SER 39 Cb -0.01 0.33 0.08 0.00 0.10 0.00 0.00 66.02 66.52 1xnr s SER 39 CO 0.00 -0.84 0.72 -0.75 0.98 0.00 0.00 173.24 173.35 1xnr s LYS 40 N -3.93 0.75 0.12 4.02 2.20 -1.17 -4.97 119.74 116.75 1xnr s LYS 40 Ca 0.37 1.11 -0.15 0.00 -0.36 0.00 0.00 55.97 56.94 1xnr s LYS 40 Cb 0.06 0.25 -0.07 0.00 -1.51 0.00 0.00 37.83 36.56 1xnr s LYS 40 CO 0.16 -0.13 0.53 0.15 -0.36 0.00 0.00 175.35 175.70 1xnr s LYS 41 N 1.10 3.99 -0.04 4.03 1.02 -1.26 -0.58 119.74 128.00 1xnr s LYS 41 Ca -0.06 0.49 0.03 0.00 0.02 0.00 0.00 55.97 56.46 1xnr s LYS 41 Cb -0.05 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1xnr s LYS 41 CO -0.11 0.53 -0.13 0.71 -0.92 0.00 0.00 175.35 175.42 1xnr s TYR 42 N -1.38 1.38 -1.24 3.18 1.51 0.22 -4.91 117.35 116.12 1xnr s TYR 42 Ca 0.35 -0.39 -0.07 0.00 -1.01 0.00 0.00 57.07 55.95 1xnr s TYR 42 Cb -0.16 -0.95 0.19 0.00 -0.11 0.00 0.00 41.96 40.93 1xnr s TYR 42 CO 0.19 -0.15 1.87 1.28 -1.11 0.00 0.00 175.55 177.63 1xnr n LEU 43 N 3.25 6.83 -4.71 -1.29 4.77 -1.26 0.16 117.00 124.75 1xnr n LEU 43 Ca -0.18 -4.82 -0.35 0.00 -0.03 0.00 0.00 56.01 50.63 1xnr n LEU 43 Cb 0.53 -1.41 0.11 0.00 -2.33 0.00 0.00 43.42 40.32 1xnr n LEU 43 CO 0.25 1.56 0.82 0.00 -1.33 0.00 0.00 177.39 178.69 1xnr s ALA 44 N -0.63 2.04 -0.13 -1.18 0.00 -0.58 -4.60 121.76 116.66 1xnr s ALA 44 Ca 0.40 1.00 -0.25 0.00 0.00 0.00 0.00 51.96 53.10 1xnr s ALA 44 Cb 0.10 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1xnr s ALA 44 CO 0.01 -2.04 0.82 -1.58 0.00 0.00 0.00 175.76 172.96 1xnr s HIS 45 N -1.85 3.47 -0.63 0.00 2.46 0.67 -1.48 115.29 117.93 1xnr s HIS 45 Ca 0.77 1.30 0.05 0.00 0.47 0.00 0.00 55.06 57.64 1xnr s HIS 45 Cb -0.32 -2.98 0.15 0.00 -0.13 0.00 0.00 32.58 29.30 1xnr s HIS 45 CO 0.46 -0.15 0.41 0.34 -2.47 0.00 0.00 174.74 173.33 1xnr s ASP 46 N 1.07 4.58 0.59 9.88 3.68 -0.55 -2.95 116.67 132.97 1xnr s ASP 46 Ca 0.39 -3.53 0.29 0.00 2.13 0.00 0.00 52.55 51.83 1xnr s ASP 46 Cb -0.17 -1.61 1.48 0.00 -1.45 0.00 0.00 42.92 41.17 1xnr s ASP 46 CO 0.15 -0.14 1.90 -0.65 0.13 0.00 0.00 175.17 176.56 1xnr h PRO 47 N 5.81 0.00 -0.87 4.34 0.11 -1.96 -2.74 132.00 136.69 1xnr h PRO 47 Ca 0.07 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.75 1xnr h PRO 47 Cb 0.81 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.50 1xnr h PRO 47 CO 0.70 0.00 -0.97 0.39 -0.21 0.00 0.00 178.00 177.90 1xnr n GLU 48 N -3.73 2.47 -1.86 1.05 1.02 -1.26 -4.90 120.64 113.44 1xnr n GLU 48 Ca 0.08 -3.84 -0.01 0.00 -0.02 0.00 0.00 57.16 53.37 1xnr n GLU 48 Cb 0.67 -1.84 -0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1xnr n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xnr n GLU 49 N -0.49 -1.00 0.12 3.49 -0.58 -1.03 -4.70 120.64 116.46 1xnr n GLU 49 Ca 0.24 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.93 1xnr n GLU 49 Cb 0.82 -0.09 -0.02 0.00 -0.57 0.00 0.00 31.44 31.57 1xnr n GLU 49 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1xnr h LYS 50 N 0.27 -0.32 -6.66 3.49 3.64 -1.93 -3.44 116.57 111.61 1xnr h LYS 50 Ca -0.01 0.02 -0.53 0.00 -1.27 0.00 0.00 60.65 58.86 1xnr h LYS 50 Cb 0.03 0.07 0.05 0.00 -0.41 0.00 0.00 32.23 31.97 1xnr h LYS 50 CO 0.02 -0.22 0.85 0.71 -2.27 0.00 0.00 179.45 178.55 1xnr s TYR 51 N -2.82 3.02 0.20 1.91 1.51 -1.26 -5.01 117.35 114.90 1xnr s TYR 51 Ca -0.05 0.73 0.05 0.00 -1.01 0.00 0.00 57.07 56.79 1xnr s TYR 51 Cb 0.00 -3.92 -0.03 0.00 -0.11 0.00 0.00 41.96 37.90 1xnr s TYR 51 CO 0.15 -3.27 0.24 0.15 -1.11 0.00 0.00 175.55 171.71 1xnr s LYS 52 N 0.61 3.17 0.02 -0.62 3.01 -1.26 -5.03 119.74 119.64 1xnr s LYS 52 Ca 0.67 -0.82 -0.35 0.00 -1.01 0.00 0.00 55.97 54.45 1xnr s LYS 52 Cb -0.44 -2.76 -0.14 0.00 -1.01 0.00 0.00 37.83 33.49 1xnr s LYS 52 CO 0.36 0.46 1.67 -0.11 0.51 0.00 0.00 175.35 178.24 1xnr n LEU 53 N -0.86 2.95 0.00 3.17 7.94 -1.26 -2.94 117.00 126.01 1xnr n LEU 53 Ca -0.08 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 1xnr n LEU 53 Cb 0.56 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 43.16 1xnr n LEU 53 CO 0.45 -0.32 0.00 0.61 -1.11 0.00 0.00 177.39 177.02 1xnr n GLY 54 N 3.72 3.55 3.78 -3.96 0.00 -1.14 -4.86 105.19 106.28 1xnr n GLY 54 Ca 0.20 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1xnr n GLY 54 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1xnr s ASP 55 N 0.00 5.04 -0.11 1.61 -4.77 -1.15 -3.56 116.67 113.73 1xnr s ASP 55 Ca 0.00 1.86 -0.18 0.00 -3.30 0.00 0.00 52.55 50.93 1xnr s ASP 55 Cb 0.00 -2.53 -0.04 0.00 -1.09 0.00 0.00 42.92 39.26 1xnr s ASP 55 CO 0.00 -1.67 0.48 -0.69 0.70 0.00 0.00 175.17 173.99 1xnr s VAL 56 N -2.65 5.17 0.18 2.11 1.01 0.15 -2.44 120.40 123.93 1xnr s VAL 56 Ca 0.63 0.96 0.07 0.00 0.00 0.00 0.00 61.98 63.64 1xnr s VAL 56 Cb -0.18 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1xnr s VAL 56 CO 0.48 0.34 -0.14 0.68 0.00 0.00 0.00 175.10 176.46 1xnr s VAL 57 N 0.49 1.62 0.16 2.92 -7.23 -0.95 0.15 120.40 117.56 1xnr s VAL 57 Ca 0.26 -2.10 -0.08 0.00 -1.81 0.00 0.00 61.98 58.25 1xnr s VAL 57 Cb -0.15 -1.94 -0.06 0.00 0.56 0.00 0.00 36.38 34.79 1xnr s VAL 57 CO 0.11 -0.57 0.45 -1.61 -0.31 0.00 0.00 175.10 173.17 1xnr s GLU 58 N -3.46 3.73 0.13 4.82 2.02 0.28 -1.50 118.70 124.72 1xnr s GLU 58 Ca 0.19 0.11 0.10 0.00 0.02 0.00 0.00 54.97 55.40 1xnr s GLU 58 Cb -0.01 -2.82 -0.04 0.00 0.10 0.00 0.00 34.13 31.36 1xnr s GLU 58 CO 0.05 0.44 -0.24 0.42 0.02 0.00 0.00 175.26 175.95 1xnr s ILE 59 N -1.65 2.08 -0.04 -1.63 -1.09 0.66 -0.83 121.20 118.72 1xnr s ILE 59 Ca 0.41 -1.73 0.01 0.00 -2.23 0.00 0.00 60.65 57.12 1xnr s ILE 59 Cb -0.12 -1.87 0.02 0.00 -1.58 0.00 0.00 42.46 38.91 1xnr s ILE 59 CO 0.22 0.01 -0.05 -0.51 -1.23 0.00 0.00 174.94 173.38 1xnr s ILE 60 N -1.19 0.54 -0.27 2.92 -1.16 -0.23 -0.96 121.20 120.84 1xnr s ILE 60 Ca 0.12 -0.15 -0.36 0.00 -0.51 0.00 0.00 60.65 59.76 1xnr s ILE 60 Cb -0.10 -0.55 -0.12 0.00 0.61 0.00 0.00 42.46 42.31 1xnr s ILE 60 CO 0.06 0.22 2.03 1.21 -2.81 0.00 0.00 174.94 175.65 1xnr n GLU 61 N 3.89 1.39 -4.45 3.50 2.13 0.20 -2.04 120.64 125.26 1xnr n GLU 61 Ca -0.24 0.45 -0.22 0.00 0.66 0.00 0.00 57.16 57.81 1xnr n GLU 61 Cb 0.52 -2.47 -0.10 0.00 0.27 0.00 0.00 31.44 29.65 1xnr n GLU 61 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1xnr s SER 62 N 5.88 2.33 0.43 4.31 0.01 -0.69 -4.76 113.70 121.20 1xnr s SER 62 Ca 1.03 -1.40 -0.26 0.00 1.31 0.00 0.00 55.95 56.63 1xnr s SER 62 Cb -0.84 -0.02 -0.08 0.00 0.21 0.00 0.00 66.02 65.29 1xnr s SER 62 CO 0.52 -0.64 1.35 -0.60 0.41 0.00 0.00 173.24 174.28 1xnr s ARG 63 N -3.89 3.84 0.25 12.44 3.52 -1.26 -4.56 118.95 129.28 1xnr s ARG 63 Ca 0.36 2.25 -0.28 0.00 -0.13 0.00 0.00 55.73 57.92 1xnr s ARG 63 Cb 0.08 -2.70 -0.15 0.00 -1.56 0.00 0.00 34.95 30.62 1xnr s ARG 63 CO 0.15 -0.63 0.87 -2.30 -0.81 0.00 0.00 175.30 172.58 1xnr n PRO 64 N -0.04 0.92 0.00 5.12 -0.02 -1.26 -4.75 135.00 134.98 1xnr n PRO 64 Ca 0.04 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1xnr n PRO 64 Cb 0.43 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 1xnr n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1xnr n ILE 65 N 0.25 0.00 -3.91 4.25 5.41 -0.84 -5.03 119.36 119.49 1xnr n ILE 65 Ca 0.13 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.85 1xnr n ILE 65 Cb 0.29 0.11 0.02 0.00 -0.71 0.00 0.00 39.64 39.35 1xnr n ILE 65 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1xnr s SER 66 N -1.99 0.01 0.28 4.38 1.04 -1.22 -5.06 113.70 111.14 1xnr s SER 66 Ca 0.00 -0.63 -0.29 0.00 0.48 0.00 0.00 55.95 55.51 1xnr s SER 66 Cb 0.00 0.46 -0.10 0.00 0.10 0.00 0.00 66.02 66.48 1xnr s SER 66 CO 0.00 -0.91 1.30 -0.75 0.98 0.00 0.00 173.24 173.86 1xnr s LYS 67 N -2.09 4.39 -0.51 4.02 2.20 -1.26 -3.53 119.74 122.96 1xnr s LYS 67 Ca 0.24 2.12 -0.32 0.00 -0.36 0.00 0.00 55.97 57.65 1xnr s LYS 67 Cb -0.02 -3.13 0.05 0.00 -1.51 0.00 0.00 37.83 33.22 1xnr s LYS 67 CO 0.05 -0.18 0.66 2.89 -0.36 0.00 0.00 175.35 178.40 1xnr n ARG 68 N 1.57 -1.89 0.00 4.03 1.85 -1.26 -4.95 116.66 116.02 1xnr n ARG 68 Ca 0.02 1.36 0.00 0.00 -1.00 0.00 0.00 57.85 58.23 1xnr n ARG 68 Cb 0.42 -2.29 0.00 0.00 -1.05 0.00 0.00 32.46 29.54 1xnr n ARG 68 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1xnr n LYS 69 N -0.60 0.00 -1.71 2.89 4.81 -1.23 -4.78 118.16 117.53 1xnr n LYS 69 Ca -0.11 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.26 1xnr n LYS 69 Cb 0.68 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.80 1xnr n LYS 69 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1xnr n ARG 70 N 0.00 2.18 -3.83 1.64 3.00 -1.26 -1.98 116.66 116.40 1xnr n ARG 70 Ca 0.00 -3.50 -0.10 0.00 -0.01 0.00 0.00 57.85 54.24 1xnr n ARG 70 Cb 0.00 -1.64 -0.08 0.00 0.00 0.00 0.00 32.46 30.74 1xnr n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1xnr s PHE 71 N -3.03 0.03 0.01 -1.55 0.08 -1.26 -1.70 117.98 110.56 1xnr s PHE 71 Ca 0.40 -0.26 0.05 0.00 0.12 0.00 0.00 56.93 57.24 1xnr s PHE 71 Cb 0.38 -0.01 -0.02 0.00 -0.57 0.00 0.00 43.02 42.80 1xnr s PHE 71 CO -0.04 -0.45 -0.14 1.03 -0.10 0.00 0.00 175.22 175.52 1xnr s ARG 72 N -2.69 1.07 -0.08 0.44 0.52 -0.87 -0.24 118.95 117.11 1xnr s ARG 72 Ca -0.04 -0.62 -0.30 0.00 -0.52 0.00 0.00 55.73 54.25 1xnr s ARG 72 Cb -0.00 -1.06 -0.05 0.00 0.52 0.00 0.00 34.95 34.36 1xnr s ARG 72 CO -0.04 0.28 1.54 0.08 0.02 0.00 0.00 175.30 177.17 1xnr s VAL 73 N -0.55 3.75 -0.13 3.52 1.01 -1.15 -1.06 120.40 125.78 1xnr s VAL 73 Ca 0.04 0.93 -0.28 0.00 0.00 0.00 0.00 61.98 62.67 1xnr s VAL 73 Cb -0.06 -3.60 -0.26 0.00 0.00 0.00 0.00 36.38 32.45 1xnr s VAL 73 CO 0.00 -0.08 0.76 0.25 0.00 0.00 0.00 175.10 176.04 1xnr h LEU 74 N 9.95 0.05 -7.57 3.92 6.46 -1.29 -3.48 115.31 123.35 1xnr h LEU 74 Ca -0.36 -0.98 0.21 0.00 -0.12 0.00 0.00 57.88 56.64 1xnr h LEU 74 Cb 1.16 -0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 40.99 1xnr h LEU 74 CO 0.95 1.06 0.57 0.00 -0.62 0.00 0.00 178.44 180.41 1xnr s ARG 75 N -2.25 1.01 -0.28 1.25 1.70 -1.24 -4.97 118.95 114.18 1xnr s ARG 75 Ca -0.19 -0.56 -0.16 0.00 -0.47 0.00 0.00 55.73 54.35 1xnr s ARG 75 Cb -0.02 0.34 -0.03 0.00 -0.57 0.00 0.00 34.95 34.67 1xnr s ARG 75 CO 0.70 -0.46 0.41 -1.17 -1.08 0.00 0.00 175.30 173.70 1xnr s LEU 76 N -2.97 4.08 -0.09 -1.89 0.20 -1.26 -0.55 118.68 116.20 1xnr s LEU 76 Ca 0.13 0.29 -0.15 0.00 0.69 0.00 0.00 54.13 55.09 1xnr s LEU 76 Cb 0.00 -2.48 -0.12 0.00 -0.43 0.00 0.00 46.19 43.16 1xnr s LEU 76 CO 0.01 -0.24 0.53 0.58 -0.29 0.00 0.00 176.35 176.94 1xnr h VAL 77 N 5.42 0.71 -3.17 1.68 2.07 -0.62 -3.48 116.25 118.87 1xnr h VAL 77 Ca -0.31 -1.34 -0.15 0.00 0.82 0.00 0.00 66.70 65.73 1xnr h VAL 77 Cb 1.15 1.29 -0.24 0.00 -1.52 0.00 0.00 31.29 31.98 1xnr h VAL 77 CO 0.67 0.22 -0.41 -1.83 0.02 0.00 0.00 177.57 176.24 1xnr s GLU 78 N -2.48 0.39 1.20 1.57 -1.05 -1.17 -4.99 118.70 112.17 1xnr s GLU 78 Ca -0.09 0.14 -0.19 0.00 -0.15 0.00 0.00 54.97 54.67 1xnr s GLU 78 Cb -0.01 0.18 0.28 0.00 -0.44 0.00 0.00 34.13 34.15 1xnr s GLU 78 CO 0.34 -0.07 1.10 0.45 0.95 0.00 0.00 175.26 178.03 1xnr s SER 79 N -0.37 0.95 0.00 0.83 0.15 -1.26 -0.67 113.70 113.33 1xnr s SER 79 Ca -0.05 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.29 1xnr s SER 79 Cb -0.03 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 1xnr s SER 79 CO 0.01 -4.11 0.00 0.61 1.20 0.00 0.00 173.24 170.95 1xnr n GLY 80 N -0.84 0.00 0.00 9.45 0.00 -1.26 -4.55 105.19 107.99 1xnr n GLY 80 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1xnr n GLY 80 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xnr n ARG 81 N 0.00 0.00 0.00 1.61 1.85 -1.23 -4.84 116.66 114.05 1xnr n ARG 81 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.91 1xnr n ARG 81 Cb 0.00 0.00 0.33 0.00 -1.05 0.00 0.00 32.46 31.74 1xnr n ARG 81 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1xnr n MET 82 N 0.00 0.24 0.13 2.89 2.81 -1.26 -2.73 117.12 119.20 1xnr n MET 82 Ca 0.00 0.12 0.15 0.00 -1.81 0.00 0.00 57.70 56.15 1xnr n MET 82 Cb 0.00 -1.50 0.67 0.00 -0.71 0.00 0.00 33.22 31.68 1xnr n MET 82 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 1xnr h ASP 83 N 0.00 0.00 0.20 7.83 2.03 -1.95 0.51 116.42 125.04 1xnr h ASP 83 Ca 0.00 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.95 1xnr h ASP 83 Cb 0.08 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.58 1xnr h ASP 83 CO 0.00 0.00 -1.80 -0.07 -1.03 0.00 0.00 179.24 176.34 1xnr h LEU 84 N 0.00 0.53 -1.65 0.15 3.38 -1.90 -3.16 115.31 112.66 1xnr h LEU 84 Ca 0.13 -0.89 -0.04 0.00 0.09 0.00 0.00 57.88 57.17 1xnr h LEU 84 Cb 0.53 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1xnr h LEU 84 CO -0.00 1.76 -0.18 0.58 0.09 0.00 0.00 178.44 180.69 1xnr h VAL 85 N 0.09 1.10 0.72 1.22 2.07 -1.37 -2.88 116.25 117.21 1xnr h VAL 85 Ca -0.36 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 1xnr h VAL 85 Cb 2.08 1.34 0.01 0.00 -1.52 0.00 0.00 31.29 33.20 1xnr h VAL 85 CO 0.15 0.18 -0.35 -0.33 0.02 0.00 0.00 177.57 177.24 1xnr h GLU 86 N 0.00 -0.93 -0.83 1.57 4.39 -0.11 0.56 114.58 119.22 1xnr h GLU 86 Ca -0.00 0.06 0.27 0.00 0.34 0.00 0.00 59.36 60.03 1xnr h GLU 86 Cb 0.33 0.21 -0.15 0.00 -0.10 0.00 0.00 28.75 29.04 1xnr h GLU 86 CO 0.02 -0.62 0.16 1.17 -1.16 0.00 0.00 179.01 178.58 1xnr n LYS 87 N -4.90 -0.06 0.30 2.33 4.81 -1.10 -0.28 118.16 119.25 1xnr n LYS 87 Ca -0.12 1.21 -0.12 0.00 -0.87 0.00 0.00 58.31 58.40 1xnr n LYS 87 Cb 0.38 -2.00 -0.06 0.00 0.02 0.00 0.00 35.03 33.37 1xnr n LYS 87 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1xnr h TYR 88 N 0.00 -0.75 -0.94 5.64 3.20 -1.28 -2.68 116.97 120.16 1xnr h TYR 88 Ca 0.57 -0.02 0.21 0.00 3.14 0.00 0.00 58.73 62.63 1xnr h TYR 88 Cb 1.31 0.25 -0.08 0.00 1.54 0.00 0.00 36.73 39.76 1xnr h TYR 88 CO -0.28 -0.47 0.61 -0.07 -1.64 0.00 0.00 178.16 176.31 1xnr h LEU 89 N -1.13 0.47 0.26 2.82 3.38 0.17 -0.92 115.31 120.36 1xnr h LEU 89 Ca -0.08 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1xnr h LEU 89 Cb 0.62 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1xnr h LEU 89 CO 0.14 0.18 -0.12 0.40 0.09 0.00 0.00 178.44 179.12 1xnr h ILE 90 N 0.47 0.78 -0.93 1.22 2.04 -1.01 -0.20 117.51 119.86 1xnr h ILE 90 Ca 0.50 -0.68 0.24 0.00 1.00 0.00 0.00 64.86 65.92 1xnr h ILE 90 Cb 1.17 1.13 -0.13 0.00 -0.74 0.00 0.00 36.82 38.25 1xnr h ILE 90 CO -0.22 0.14 0.45 -0.09 0.00 0.00 0.00 178.15 178.43 1xnr h ARG 91 N -0.72 0.42 -0.36 2.37 2.43 -0.89 0.65 114.38 118.28 1xnr h ARG 91 Ca -0.04 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 58.96 1xnr h ARG 91 Cb 0.49 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1xnr h ARG 91 CO 0.06 0.28 -0.37 -0.09 -1.51 0.00 0.00 179.97 178.34 1xnr h ARG 92 N 0.43 0.88 -0.38 0.20 2.43 -1.11 -3.11 114.38 113.73 1xnr h ARG 92 Ca 0.60 -0.47 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1xnr h ARG 92 Cb 1.16 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 1xnr h ARG 92 CO -0.53 1.11 -0.07 0.37 -1.51 0.00 0.00 179.97 179.35 1xnr h GLN 93 N 0.68 0.64 0.00 0.20 4.15 0.19 -2.20 115.11 118.78 1xnr h GLN 93 Ca 0.06 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.29 1xnr h GLN 93 Cb 0.96 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.58 1xnr h GLN 93 CO 0.09 0.71 0.00 -0.91 -1.93 0.00 0.00 178.83 176.79 1xnr h ASN 94 N 0.60 0.00 0.57 -0.69 2.35 -0.02 -0.80 115.58 117.58 1xnr h ASN 94 Ca 0.11 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1xnr h ASN 94 Cb 0.48 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 1xnr h ASN 94 CO 0.03 0.00 -0.10 1.88 -1.65 0.00 0.00 177.43 177.59 1xnr h TYR 95 N 0.00 0.00 -0.69 1.19 -1.99 -1.41 -2.85 116.97 111.23 1xnr h TYR 95 Ca 0.00 0.00 0.15 0.00 2.00 0.00 0.00 58.73 60.88 1xnr h TYR 95 Cb 0.17 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 38.80 1xnr h TYR 95 CO 0.00 0.10 0.10 0.37 -0.00 0.00 0.00 178.16 178.74 1xnr h GLN 96 N 0.00 0.20 0.00 4.88 4.15 -1.29 -3.38 115.11 119.67 1xnr h GLN 96 Ca -0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1xnr h GLN 96 Cb 0.41 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1xnr h GLN 96 CO 0.01 0.13 0.00 -1.13 -1.93 0.00 0.00 178.83 175.92 1xnr n SER 97 N -5.21 0.00 0.00 -0.69 3.41 -1.07 -4.26 113.62 105.80 1xnr n SER 97 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1xnr n SER 97 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1xnr n SER 97 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xnr n LEU 98 N 0.00 0.00 0.00 1.04 4.32 -1.26 -4.84 117.00 116.26 1xnr n LEU 98 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1xnr n LEU 98 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1xnr n LEU 98 CO 0.00 0.00 0.00 -1.54 -1.22 0.00 0.00 177.39 174.63 1xnr n SER 99 N 0.17 0.00 -0.31 -1.43 3.41 -1.26 -4.83 113.62 109.37 1xnr n SER 99 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 1xnr n SER 99 Cb 0.00 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.43 1xnr n SER 99 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1xnr n LYS 100 N 0.00 1.15 0.00 4.33 2.85 -1.26 -4.87 118.16 120.35 1xnr n LYS 100 Ca 0.00 -0.63 0.00 0.00 -1.05 0.00 0.00 58.31 56.63 1xnr n LYS 100 Cb 0.00 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 32.89 1xnr n LYS 100 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1xnr n ARG 101 N -0.38 0.00 0.00 -1.58 5.12 -1.26 -5.19 116.66 113.37 1xnr n ARG 101 Ca 0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 1xnr n ARG 101 Cb 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.63 1xnr n ARG 101 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xnr n GLY 102 N 2.51 6.38 0.00 -0.13 0.00 -1.26 -4.48 105.19 108.21 1xnr n GLY 102 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1xnr n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnr n GLY 103 N 2.67 1.49 3.54 -0.02 0.00 -1.26 -3.47 105.19 108.13 1xnr n GLY 103 Ca 0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1xnr n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xnr s LYS 104 N 4.41 2.45 0.00 1.61 -0.14 -1.26 -4.83 119.74 121.98 1xnr s LYS 104 Ca 0.00 -0.76 0.12 0.00 -1.36 0.00 0.00 55.97 53.97 1xnr s LYS 104 Cb 0.00 -2.41 0.10 0.00 -1.68 0.00 0.00 37.83 33.84 1xnr s LYS 104 CO 0.00 0.60 0.88 0.00 -0.76 0.00 0.00 175.35 176.07