#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnr n GLN 3 N 0.00 1.99 -4.00 3.44 0.00 -1.26 -4.71 117.38 112.83 1xnr n GLN 3 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.00 56.91 1xnr n GLN 3 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.16 1xnr n GLN 3 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1xnr s TYR 4 N 1.07 0.50 -0.30 2.61 1.51 -1.14 -4.98 117.35 116.61 1xnr s TYR 4 Ca 0.00 -0.87 -0.05 0.00 -1.01 0.00 0.00 57.07 55.13 1xnr s TYR 4 Cb 0.00 -0.18 0.16 0.00 -0.11 0.00 0.00 41.96 41.84 1xnr s TYR 4 CO 0.00 -0.64 0.62 -0.47 -1.11 0.00 0.00 175.55 173.95 1xnr s TYR 5 N -3.98 -1.48 0.22 2.71 6.14 -1.25 -1.02 117.35 118.70 1xnr s TYR 5 Ca 0.17 2.01 0.07 0.00 0.64 0.00 0.00 57.07 59.96 1xnr s TYR 5 Cb 0.05 0.68 -0.04 0.00 0.42 0.00 0.00 41.96 43.07 1xnr s TYR 5 CO -0.01 -0.78 0.17 0.20 0.64 0.00 0.00 175.55 175.77 1xnr s GLY 6 N 2.88 1.51 0.00 8.97 0.00 -1.01 -4.53 107.32 115.14 1xnr s GLY 6 Ca 0.08 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1xnr s GLY 6 CO -0.20 -1.39 0.00 2.41 0.00 0.00 0.00 173.10 173.92 1xnr n THR 7 N -0.90 0.00 -0.33 0.90 -1.04 -1.26 -1.72 114.28 109.93 1xnr n THR 7 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1xnr n THR 7 Cb 0.57 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 1xnr n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xnr n GLY 8 N 2.49 -2.03 2.98 3.41 0.00 -1.26 -2.70 105.19 108.09 1xnr n GLY 8 Ca 0.00 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 1xnr n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xnr s ARG 9 N -3.02 0.31 -0.26 1.61 0.52 -1.26 -0.91 118.95 115.94 1xnr s ARG 9 Ca 0.00 -0.53 -0.25 0.00 -0.52 0.00 0.00 55.73 54.43 1xnr s ARG 9 Cb 0.00 -0.02 0.09 0.00 0.52 0.00 0.00 34.95 35.55 1xnr s ARG 9 CO 0.00 -0.01 0.84 0.50 0.02 0.00 0.00 175.30 176.65 1xnr s ARG 10 N -1.20 0.72 -1.60 3.54 3.52 0.35 -4.23 118.95 120.05 1xnr s ARG 10 Ca -0.11 0.79 -0.09 0.00 -0.13 0.00 0.00 55.73 56.19 1xnr s ARG 10 Cb -0.08 0.35 0.09 0.00 -1.56 0.00 0.00 34.95 33.75 1xnr s ARG 10 CO -0.01 -0.10 0.22 1.17 -0.81 0.00 0.00 175.30 175.77 1xnr n LYS 11 N 2.36 -0.86 -1.73 5.12 4.81 -1.26 -1.43 118.16 125.17 1xnr n LYS 11 Ca -0.14 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1xnr n LYS 11 Cb 0.55 -3.83 0.00 0.00 0.02 0.00 0.00 35.03 31.78 1xnr n LYS 11 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1xnr n GLU 12 N -4.22 0.00 -3.64 1.64 4.07 -1.26 -4.88 120.64 112.35 1xnr n GLU 12 Ca -0.15 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.79 1xnr n GLU 12 Cb 0.58 -2.19 -0.07 0.00 -0.06 0.00 0.00 31.44 29.69 1xnr n GLU 12 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xnr s ALA 13 N -2.45 -1.28 -0.04 4.31 0.00 -0.51 -3.23 121.76 118.56 1xnr s ALA 13 Ca 0.00 0.85 0.05 0.00 0.00 0.00 0.00 51.96 52.86 1xnr s ALA 13 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 1xnr s ALA 13 CO 0.00 -0.31 -0.18 0.08 0.00 0.00 0.00 175.76 175.34 1xnr s VAL 14 N -1.20 1.52 0.09 0.00 1.01 -1.22 -0.50 120.40 120.11 1xnr s VAL 14 Ca -0.12 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.17 1xnr s VAL 14 Cb -0.03 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1xnr s VAL 14 CO 0.07 0.44 -0.19 0.00 0.00 0.00 0.00 175.10 175.42 1xnr s ALA 15 N -0.07 2.63 -0.29 5.51 0.00 -0.08 -2.99 121.76 126.46 1xnr s ALA 15 Ca -0.02 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 50.66 1xnr s ALA 15 Cb -0.11 -0.66 0.07 0.00 0.00 0.00 0.00 23.12 22.43 1xnr s ALA 15 CO 0.02 0.58 -0.05 1.03 0.00 0.00 0.00 175.76 177.34 1xnr s ARG 16 N -1.90 2.01 -0.37 0.00 0.52 0.65 -4.04 118.95 115.81 1xnr s ARG 16 Ca 0.17 -1.52 -0.12 0.00 -0.52 0.00 0.00 55.73 53.74 1xnr s ARG 16 Cb -0.10 -3.01 0.01 0.00 0.52 0.00 0.00 34.95 32.37 1xnr s ARG 16 CO 0.08 -0.69 0.23 0.08 0.02 0.00 0.00 175.30 175.02 1xnr s VAL 17 N 1.04 4.89 -0.44 3.52 1.01 -0.70 -2.22 120.40 127.51 1xnr s VAL 17 Ca -0.03 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 1xnr s VAL 17 Cb -0.20 -3.67 0.10 0.00 0.00 0.00 0.00 36.38 32.61 1xnr s VAL 17 CO -0.06 -0.19 0.30 -0.36 0.00 0.00 0.00 175.10 174.80 1xnr s PHE 18 N 1.63 3.37 -0.62 5.22 2.99 -0.90 -2.40 117.98 127.26 1xnr s PHE 18 Ca 0.04 -1.64 -0.23 0.00 0.00 0.00 0.00 56.93 55.10 1xnr s PHE 18 Cb -0.19 -3.19 0.06 0.00 0.00 0.00 0.00 43.02 39.70 1xnr s PHE 18 CO 0.08 -0.91 0.94 -0.51 -0.00 0.00 0.00 175.22 174.83 1xnr s LEU 19 N 1.41 4.33 0.03 -0.37 1.43 -0.19 -1.32 118.68 124.00 1xnr s LEU 19 Ca 0.04 -0.81 -0.04 0.00 -1.03 0.00 0.00 54.13 52.29 1xnr s LEU 19 Cb -0.24 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 1xnr s LEU 19 CO 0.01 -1.36 0.24 -0.13 0.23 0.00 0.00 176.35 175.34 1xnr s ARG 20 N 3.97 3.51 0.03 1.70 1.81 0.28 -2.91 118.95 127.34 1xnr s ARG 20 Ca 0.24 -0.22 -0.30 0.00 -1.72 0.00 0.00 55.73 53.73 1xnr s ARG 20 Cb -0.16 -3.05 -0.04 0.00 -0.45 0.00 0.00 34.95 31.25 1xnr s ARG 20 CO 0.13 0.63 1.04 -2.14 -0.68 0.00 0.00 175.30 174.27 1xnr s PRO 21 N -2.04 4.55 0.00 3.54 0.02 -1.26 0.23 135.00 140.03 1xnr s PRO 21 Ca 0.30 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.84 1xnr s PRO 21 Cb -0.13 -3.42 0.00 0.00 0.02 0.00 0.00 34.50 30.98 1xnr s PRO 21 CO 0.20 -0.07 0.00 0.41 -0.33 0.00 0.00 177.00 177.21 1xnr n GLY 22 N 2.87 1.87 0.00 0.52 0.00 -1.23 -4.77 105.19 104.44 1xnr n GLY 22 Ca 0.06 -0.48 0.09 0.00 0.00 0.00 0.00 46.02 45.69 1xnr n GLY 22 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xnr n ASN 23 N 0.00 0.00 -0.01 1.61 5.15 -1.26 -4.15 115.26 116.60 1xnr n ASN 23 Ca 0.00 -0.55 0.00 0.00 -0.60 0.00 0.00 54.58 53.43 1xnr n ASN 23 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1xnr n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xnr n GLY 24 N 0.08 0.81 3.77 8.20 0.00 -0.35 -4.86 105.19 112.85 1xnr n GLY 24 Ca 0.13 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 1xnr n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xnr s LYS 25 N -3.22 4.25 -0.08 1.61 1.02 -1.26 -4.87 119.74 117.19 1xnr s LYS 25 Ca 0.00 0.65 0.01 0.00 0.02 0.00 0.00 55.97 56.65 1xnr s LYS 25 Cb 0.00 -3.32 0.02 0.00 -0.52 0.00 0.00 37.83 34.01 1xnr s LYS 25 CO 0.00 0.42 -0.09 0.08 -0.92 0.00 0.00 175.35 174.84 1xnr s VAL 26 N -0.34 1.01 0.36 3.17 1.01 -1.26 -1.51 120.40 122.84 1xnr s VAL 26 Ca 0.29 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.98 1xnr s VAL 26 Cb -0.18 -0.97 -0.07 0.00 0.00 0.00 0.00 36.38 35.16 1xnr s VAL 26 CO 0.16 0.34 -0.01 0.28 0.00 0.00 0.00 175.10 175.87 1xnr s THR 27 N 1.11 1.83 -0.16 3.92 -1.32 -0.60 -2.85 115.64 117.57 1xnr s THR 27 Ca -0.07 -2.06 -0.04 0.00 -1.21 0.00 0.00 61.69 58.31 1xnr s THR 27 Cb -0.14 -2.80 0.08 0.00 -1.51 0.00 0.00 72.50 68.12 1xnr s THR 27 CO -0.01 -0.09 0.27 0.68 -2.21 0.00 0.00 174.62 173.26 1xnr s VAL 28 N -2.85 -0.43 -0.47 5.08 -7.23 -0.55 -1.51 120.40 112.43 1xnr s VAL 28 Ca 0.34 0.16 -0.08 0.00 -1.81 0.00 0.00 61.98 60.59 1xnr s VAL 28 Cb 0.07 -0.54 0.01 0.00 0.56 0.00 0.00 36.38 36.49 1xnr s VAL 28 CO 0.16 0.03 0.16 -0.46 -0.31 0.00 0.00 175.10 174.68 1xnr n ASN 29 N 5.35 -0.84 0.00 4.85 6.94 0.34 -2.87 115.26 129.03 1xnr n ASN 29 Ca -0.06 -0.46 0.00 0.00 -0.02 0.00 0.00 54.58 54.04 1xnr n ASN 29 Cb 0.50 -0.56 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 1xnr n ASN 29 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xnr n GLY 30 N -1.42 1.01 1.12 4.83 0.00 -1.26 -5.03 105.19 104.44 1xnr n GLY 30 Ca -0.07 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.84 1xnr n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xnr n GLN 31 N 0.00 0.00 -2.82 1.61 6.02 -1.14 -4.82 117.38 116.23 1xnr n GLN 31 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 1xnr n GLN 31 Cb 0.00 -0.33 -0.04 0.00 1.02 0.00 0.00 30.24 30.88 1xnr n GLN 31 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1xnr s ASP 32 N -0.33 6.43 0.00 1.08 -1.08 -1.26 -1.49 116.67 120.02 1xnr s ASP 32 Ca 0.21 -0.07 0.00 0.00 -0.52 0.00 0.00 52.55 52.17 1xnr s ASP 32 Cb -0.27 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 1xnr s ASP 32 CO 0.20 -1.14 0.00 0.33 0.52 0.00 0.00 175.17 175.08 1xnr n PHE 33 N 7.34 0.00 0.19 -5.34 7.35 -1.13 0.24 117.46 126.11 1xnr n PHE 33 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 1xnr n PHE 33 Cb 0.48 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.31 1xnr n PHE 33 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1xnr n ASN 34 N 0.00 1.10 0.00 -2.13 3.02 -1.26 -0.35 115.26 115.64 1xnr n ASN 34 Ca 0.00 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1xnr n ASN 34 Cb 0.00 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 1xnr n ASN 34 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1xnr n GLU 35 N 1.11 0.51 -0.03 3.52 4.07 0.67 -4.74 120.64 125.75 1xnr n GLU 35 Ca 0.00 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.89 1xnr n GLU 35 Cb 0.15 -0.56 -0.13 0.00 -0.06 0.00 0.00 31.44 30.84 1xnr n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 1xnr h TYR 36 N 0.00 0.28 -1.29 4.31 3.20 -0.78 -3.35 116.97 119.34 1xnr h TYR 36 Ca 0.00 -0.20 -0.70 0.00 3.14 0.00 0.00 58.73 60.97 1xnr h TYR 36 Cb 0.13 -0.01 -0.16 0.00 1.54 0.00 0.00 36.73 38.23 1xnr h TYR 36 CO 0.00 1.50 1.79 1.19 -1.64 0.00 0.00 178.16 181.00 1xnr n PHE 37 N -4.10 2.42 -1.45 -3.82 0.99 -0.38 -4.94 117.46 106.19 1xnr n PHE 37 Ca -0.26 -2.59 -0.13 0.00 -0.00 0.00 0.00 57.45 54.47 1xnr n PHE 37 Cb 0.81 -1.64 -0.11 0.00 -1.00 0.00 0.00 39.48 37.54 1xnr n PHE 37 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 1xnr n GLN 38 N 1.26 0.20 -2.98 -1.08 0.00 -1.26 -3.50 117.38 110.03 1xnr n GLN 38 Ca 0.58 -0.72 -0.04 0.00 -0.00 0.00 0.00 57.00 56.81 1xnr n GLN 38 Cb 0.31 -2.64 0.01 0.00 0.00 0.00 0.00 30.24 27.91 1xnr n GLN 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xnr n GLY 39 N 5.90 -1.26 2.62 1.69 0.00 -1.26 -5.03 105.19 107.85 1xnr n GLY 39 Ca 0.41 0.85 -0.29 0.00 0.00 0.00 0.00 46.02 46.99 1xnr n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xnr s LEU 40 N -3.35 1.19 0.17 0.99 1.43 -1.23 -5.03 118.68 112.85 1xnr s LEU 40 Ca 0.12 -1.39 0.07 0.00 -1.03 0.00 0.00 54.13 51.90 1xnr s LEU 40 Cb -0.03 -0.55 0.55 0.00 0.03 0.00 0.00 46.19 46.19 1xnr s LEU 40 CO 0.76 -0.42 0.75 0.52 0.23 0.00 0.00 176.35 178.19 1xnr n VAL 41 N 5.09 -0.20 0.16 -1.59 0.31 -1.26 -0.79 118.33 120.06 1xnr n VAL 41 Ca -0.05 0.99 -0.14 0.00 -0.01 0.00 0.00 64.34 65.14 1xnr n VAL 41 Cb 0.42 -1.56 -0.08 0.00 -0.91 0.00 0.00 33.84 31.71 1xnr n VAL 41 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1xnr h ARG 42 N 0.00 -0.38 0.00 5.55 3.08 -1.99 -3.35 114.38 117.29 1xnr h ARG 42 Ca 0.37 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.44 1xnr h ARG 42 Cb 0.92 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1xnr h ARG 42 CO -0.39 -0.13 0.00 0.00 -1.07 0.00 0.00 179.97 178.37 1xnr n ALA 43 N -2.36 0.00 -0.29 0.04 0.00 0.03 0.37 120.51 118.30 1xnr n ALA 43 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1xnr n ALA 43 Cb 0.23 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.72 1xnr n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xnr n VAL 44 N -3.19 -0.39 -0.31 0.00 0.31 -1.26 -1.06 118.33 112.44 1xnr n VAL 44 Ca 0.00 1.81 -0.02 0.00 -0.01 0.00 0.00 64.34 66.12 1xnr n VAL 44 Cb 0.00 -2.41 0.01 0.00 -0.91 0.00 0.00 33.84 30.53 1xnr n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xnr n ALA 45 N -3.62 -0.16 -0.19 3.52 0.00 0.16 -1.22 120.51 119.00 1xnr n ALA 45 Ca 0.09 0.77 0.14 0.00 0.00 0.00 0.00 53.44 54.43 1xnr n ALA 45 Cb 0.33 -0.31 0.26 0.00 0.00 0.00 0.00 19.45 19.72 1xnr n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnr n ALA 46 N -3.56 0.45 1.32 0.00 0.00 -0.22 0.36 120.51 118.86 1xnr n ALA 46 Ca 0.07 0.58 0.09 0.00 0.00 0.00 0.00 53.44 54.19 1xnr n ALA 46 Cb 0.30 -0.51 0.36 0.00 0.00 0.00 0.00 19.45 19.59 1xnr n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xnr n LEU 47 N -4.45 1.38 0.15 0.00 4.77 -0.36 -3.64 117.00 114.85 1xnr n LEU 47 Ca 0.18 -0.60 0.17 0.00 -0.03 0.00 0.00 56.01 55.73 1xnr n LEU 47 Cb 0.59 -0.11 0.77 0.00 -2.33 0.00 0.00 43.42 42.35 1xnr n LEU 47 CO -0.02 0.30 1.15 -0.08 -1.33 0.00 0.00 177.39 177.42 1xnr h GLU 48 N 1.77 0.00 0.65 3.23 4.57 0.61 -2.25 114.58 123.16 1xnr h GLU 48 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1xnr h GLU 48 Cb 0.39 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1xnr h GLU 48 CO 0.00 0.00 -0.31 -1.00 -1.18 0.00 0.00 179.01 176.52 1xnr h PRO 49 N 0.00 -0.84 -0.12 0.92 0.13 -1.76 -1.30 132.00 129.02 1xnr h PRO 49 Ca 0.13 0.06 0.02 0.00 -0.87 0.00 0.00 66.00 65.34 1xnr h PRO 49 Cb 0.62 0.19 -0.05 0.00 0.13 0.00 0.00 31.00 31.90 1xnr h PRO 49 CO -0.00 -0.53 -0.37 -0.07 -0.23 0.00 0.00 178.00 176.80 1xnr h LEU 50 N -0.96 -1.19 -1.74 1.56 3.38 -1.74 0.30 115.31 114.90 1xnr h LEU 50 Ca -0.09 0.14 0.32 0.00 0.09 0.00 0.00 57.88 58.34 1xnr h LEU 50 Cb 0.69 0.47 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 1xnr h LEU 50 CO 0.15 -0.32 0.95 0.03 0.09 0.00 0.00 178.44 179.33 1xnr h ARG 51 N -0.38 0.00 -0.02 1.13 3.08 -1.49 1.68 114.38 118.38 1xnr h ARG 51 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1xnr h ARG 51 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1xnr h ARG 51 CO -0.31 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.59 1xnr n ALA 52 N -2.55 2.62 -1.57 0.04 0.00 0.10 -3.53 120.51 115.61 1xnr n ALA 52 Ca 0.24 -0.32 0.05 0.00 0.00 0.00 0.00 53.44 53.40 1xnr n ALA 52 Cb 1.30 -1.32 0.06 0.00 0.00 0.00 0.00 19.45 19.49 1xnr n ALA 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xnr n VAL 53 N -0.38 0.87 -0.16 0.00 0.31 0.57 -4.95 118.33 114.59 1xnr n VAL 53 Ca 0.21 -1.05 0.00 0.00 -0.01 0.00 0.00 64.34 63.49 1xnr n VAL 53 Cb 0.23 0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 1xnr n VAL 53 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xnr n ASP 54 N -0.66 0.00 0.00 4.52 10.43 -1.03 -4.91 116.55 124.89 1xnr n ASP 54 Ca 0.07 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.43 1xnr n ASP 54 Cb 0.67 -1.00 0.00 0.00 1.84 0.00 0.00 41.12 42.63 1xnr n ASP 54 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xnr n ALA 55 N 0.68 0.00 0.00 2.24 0.00 -1.19 -4.80 120.51 117.43 1xnr n ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xnr n ALA 55 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xnr n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xnr n LEU 56 N 0.00 0.00 0.06 0.00 0.00 -1.26 -4.15 117.00 111.64 1xnr n LEU 56 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 56.01 56.12 1xnr n LEU 56 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.35 1xnr n LEU 56 CO 0.00 0.00 -0.28 0.61 0.00 0.00 0.00 177.39 177.72 1xnr n GLY 57 N 0.00 -1.28 0.06 -3.96 0.00 -1.26 -3.97 105.19 94.78 1xnr n GLY 57 Ca 0.00 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.79 1xnr n GLY 57 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xnr n ARG 58 N -2.51 0.12 -2.07 1.61 0.00 -1.26 -2.84 116.66 109.71 1xnr n ARG 58 Ca -0.02 0.25 -0.01 0.00 -0.00 0.00 0.00 57.85 58.07 1xnr n ARG 58 Cb 0.56 -1.69 -0.00 0.00 0.00 0.00 0.00 32.46 31.33 1xnr n ARG 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1xnr n PHE 59 N -1.90 -0.11 -3.51 -0.14 3.01 -1.25 -3.53 117.46 110.02 1xnr n PHE 59 Ca 0.04 -0.12 -0.09 0.00 1.01 0.00 0.00 57.45 58.29 1xnr n PHE 59 Cb 0.27 -0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 39.71 1xnr n PHE 59 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1xnr s ASP 60 N -1.13 -0.42 -0.23 4.37 -1.08 0.61 -1.21 116.67 117.59 1xnr s ASP 60 Ca 0.00 -0.06 -0.11 0.00 -0.52 0.00 0.00 52.55 51.86 1xnr s ASP 60 Cb -0.00 0.49 0.08 0.00 -1.46 0.00 0.00 42.92 42.03 1xnr s ASP 60 CO 0.00 -0.81 0.53 0.00 0.52 0.00 0.00 175.17 175.41 1xnr s ALA 61 N -3.40 -1.47 -0.26 3.66 0.00 -0.57 0.99 121.76 120.70 1xnr s ALA 61 Ca 0.04 1.91 -0.13 0.00 0.00 0.00 0.00 51.96 53.79 1xnr s ALA 61 Cb -0.01 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1xnr s ALA 61 CO -0.09 -0.50 0.27 -0.47 0.00 0.00 0.00 175.76 174.97 1xnr s TYR 62 N 1.95 3.26 0.18 0.00 5.04 -0.43 -1.56 117.35 125.79 1xnr s TYR 62 Ca -0.08 0.28 0.10 0.00 -2.44 0.00 0.00 57.07 54.93 1xnr s TYR 62 Cb -0.09 -2.44 -0.04 0.00 0.35 0.00 0.00 41.96 39.74 1xnr s TYR 62 CO -0.16 -0.14 -0.22 0.42 -1.34 0.00 0.00 175.55 174.12 1xnr s ILE 63 N 1.72 2.12 -0.04 3.14 1.01 -0.57 -2.12 121.20 126.46 1xnr s ILE 63 Ca 0.11 -1.98 0.01 0.00 0.00 0.00 0.00 60.65 58.79 1xnr s ILE 63 Cb -0.15 -2.00 0.02 0.00 0.01 0.00 0.00 42.46 40.34 1xnr s ILE 63 CO 0.09 -0.20 -0.03 -0.89 0.00 0.00 0.00 174.94 173.92 1xnr s THR 64 N -1.82 0.39 -0.04 2.92 2.01 -0.94 0.13 115.64 118.29 1xnr s THR 64 Ca 0.18 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.16 1xnr s THR 64 Cb -0.07 -0.45 0.01 0.00 0.01 0.00 0.00 72.50 72.01 1xnr s THR 64 CO 0.08 0.19 -0.07 0.68 -0.69 0.00 0.00 174.62 174.82 1xnr s VAL 65 N 0.97 0.67 -0.07 3.82 -7.23 -1.26 -0.26 120.40 117.04 1xnr s VAL 65 Ca -0.10 -0.24 -0.06 0.00 -1.81 0.00 0.00 61.98 59.77 1xnr s VAL 65 Cb -0.14 -0.64 0.02 0.00 0.56 0.00 0.00 36.38 36.18 1xnr s VAL 65 CO -0.01 0.24 0.18 -0.60 -0.31 0.00 0.00 175.10 174.61 1xnr s ARG 66 N 0.61 0.21 0.00 4.82 3.52 -1.16 -4.94 118.95 122.01 1xnr s ARG 66 Ca -0.09 0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.77 1xnr s ARG 66 Cb -0.12 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.36 1xnr s ARG 66 CO 0.01 -0.03 0.00 0.41 -0.81 0.00 0.00 175.30 174.88 1xnr n GLY 67 N 3.03 -1.16 0.00 8.12 0.00 -1.26 -3.43 105.19 110.48 1xnr n GLY 67 Ca -0.13 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1xnr n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnr n GLY 68 N 0.98 0.78 3.23 -0.02 0.00 -1.20 -4.20 105.19 104.75 1xnr n GLY 68 Ca 0.00 -1.41 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 1xnr n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xnr s GLY 69 N 0.00 -0.12 0.21 -0.02 0.00 -1.26 -5.04 107.32 101.10 1xnr s GLY 69 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.88 1xnr s GLY 69 CO 0.00 -0.05 1.08 0.28 0.00 0.00 0.00 173.10 174.42 1xnr n LYS 70 N 1.02 -0.06 -0.04 2.90 5.02 -1.26 -0.01 118.16 125.73 1xnr n LYS 70 Ca -0.21 1.04 -0.13 0.00 -2.02 0.00 0.00 58.31 57.00 1xnr n LYS 70 Cb 0.57 -1.64 -0.07 0.00 -0.02 0.00 0.00 35.03 33.86 1xnr n LYS 70 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1xnr h SER 71 N 0.00 0.25 -0.17 4.39 0.87 -2.00 -2.57 113.55 114.33 1xnr h SER 71 Ca 0.41 -0.43 0.05 0.00 -1.23 0.00 0.00 61.79 60.59 1xnr h SER 71 Cb 0.81 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.65 1xnr h SER 71 CO -0.66 0.62 -0.18 1.23 -0.53 0.00 0.00 176.83 177.31 1xnr h GLY 72 N -0.12 -0.10 -0.11 5.77 0.00 -0.77 -1.44 103.07 106.30 1xnr h GLY 72 Ca 0.02 0.22 0.04 0.00 0.00 0.00 0.00 47.33 47.61 1xnr h GLY 72 CO 0.02 -0.17 -0.49 1.46 0.00 0.00 0.00 176.54 177.36 1xnr h GLN 73 N -0.21 -0.51 -0.92 4.80 4.20 -1.31 -0.18 115.11 120.99 1xnr h GLN 73 Ca 0.11 0.03 0.18 0.00 0.06 0.00 0.00 58.65 59.03 1xnr h GLN 73 Cb 0.37 0.11 -0.17 0.00 0.30 0.00 0.00 27.48 28.10 1xnr h GLN 73 CO -0.29 -0.34 -0.26 0.82 -0.67 0.00 0.00 178.83 178.09 1xnr h ILE 74 N -0.52 0.07 -0.90 2.54 2.04 -0.95 0.33 117.51 120.12 1xnr h ILE 74 Ca 0.06 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.01 1xnr h ILE 74 Cb 0.65 0.07 -0.07 0.00 -0.74 0.00 0.00 36.82 36.73 1xnr h ILE 74 CO -0.44 0.00 0.55 0.44 0.00 0.00 0.00 178.15 178.70 1xnr h ASP 75 N -0.01 0.83 0.00 1.72 3.32 -0.04 -0.64 116.42 121.60 1xnr h ASP 75 Ca 0.42 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.50 1xnr h ASP 75 Cb 0.66 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1xnr h ASP 75 CO -0.94 0.49 -0.00 0.00 -1.72 0.00 0.00 179.24 177.07 1xnr h ALA 76 N 1.46 -0.00 -0.55 3.45 0.00 0.55 -2.95 119.26 121.22 1xnr h ALA 76 Ca 0.42 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 55.19 1xnr h ALA 76 Cb 0.31 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.99 1xnr h ALA 76 CO -0.22 -0.25 -0.20 0.82 0.00 0.00 0.00 179.25 179.40 1xnr h ILE 77 N -0.50 0.35 -1.00 0.00 2.04 -0.45 0.97 117.51 118.92 1xnr h ILE 77 Ca -0.00 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.09 1xnr h ILE 77 Cb 0.50 0.35 -0.09 0.00 -0.74 0.00 0.00 36.82 36.83 1xnr h ILE 77 CO 0.00 0.00 0.63 0.50 0.00 0.00 0.00 178.15 179.28 1xnr h LYS 78 N -0.07 0.50 0.35 2.37 3.64 -1.07 -1.27 116.57 121.02 1xnr h LYS 78 Ca 0.26 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1xnr h LYS 78 Cb 0.47 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1xnr h LYS 78 CO -0.60 0.33 -0.17 1.25 -2.27 0.00 0.00 179.45 177.99 1xnr h LEU 79 N 0.51 -0.40 -0.89 5.20 6.46 0.10 -2.47 115.31 123.82 1xnr h LEU 79 Ca 0.57 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 58.42 1xnr h LEU 79 Cb 1.25 0.10 -0.11 0.00 -0.73 0.00 0.00 40.66 41.17 1xnr h LEU 79 CO -0.30 -0.12 -0.52 0.61 -0.62 0.00 0.00 178.44 177.48 1xnr n GLY 80 N 0.15 -2.64 0.33 3.75 0.00 0.33 0.44 105.19 107.56 1xnr n GLY 80 Ca -0.06 1.12 0.16 0.00 0.00 0.00 0.00 46.02 47.24 1xnr n GLY 80 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xnr h ILE 81 N 0.00 0.52 -0.11 -0.61 2.04 -1.35 0.62 117.51 118.62 1xnr h ILE 81 Ca 0.14 -0.18 -0.11 0.00 1.00 0.00 0.00 64.86 65.72 1xnr h ILE 81 Cb 0.36 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1xnr h ILE 81 CO -0.84 0.10 -0.41 0.00 0.00 0.00 0.00 178.15 177.00 1xnr h ALA 82 N 1.72 1.10 0.24 1.87 0.00 0.48 0.40 119.26 125.07 1xnr h ALA 82 Ca 0.61 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1xnr h ALA 82 Cb 1.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1xnr h ALA 82 CO -0.49 0.59 -0.12 0.00 0.00 0.00 0.00 179.25 179.24 1xnr h ARG 83 N 0.20 -0.31 -0.85 0.00 3.08 0.30 -3.04 114.38 113.77 1xnr h ARG 83 Ca 0.02 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.22 1xnr h ARG 83 Cb 0.82 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.85 1xnr h ARG 83 CO 0.06 -0.21 0.46 0.00 -1.07 0.00 0.00 179.97 179.21 1xnr h ALA 84 N -1.41 1.26 0.00 0.04 0.00 -0.69 1.16 119.26 119.62 1xnr h ALA 84 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xnr h ALA 84 Cb 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xnr h ALA 84 CO 0.05 -0.02 0.13 1.25 0.00 0.00 0.00 179.25 180.66 1xnr h LEU 85 N 0.69 0.00 0.01 0.00 5.85 -0.98 0.35 115.31 121.22 1xnr h LEU 85 Ca 0.45 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.82 1xnr h LEU 85 Cb 0.57 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 1xnr h LEU 85 CO -0.32 0.00 -2.17 0.52 -0.34 0.00 0.00 178.44 176.13 1xnr n VAL 86 N -2.37 1.48 -0.16 1.05 0.31 0.38 -3.80 118.33 115.23 1xnr n VAL 86 Ca -0.02 -0.81 -0.08 0.00 -0.01 0.00 0.00 64.34 63.42 1xnr n VAL 86 Cb 0.17 -0.77 0.01 0.00 -0.91 0.00 0.00 33.84 32.33 1xnr n VAL 86 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1xnr h GLN 87 N 0.00 0.68 -0.21 5.55 4.15 0.14 0.47 115.11 125.88 1xnr h GLN 87 Ca -0.47 -0.11 0.06 0.00 0.77 0.00 0.00 58.65 58.90 1xnr h GLN 87 Cb 2.14 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 29.71 1xnr h GLN 87 CO 0.04 0.60 0.17 -0.92 -1.93 0.00 0.00 178.83 176.79 1xnr h TYR 88 N 0.60 0.00 -0.66 3.99 3.20 -1.29 -3.39 116.97 119.43 1xnr h TYR 88 Ca 0.16 0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.19 1xnr h TYR 88 Cb 0.16 0.00 -0.21 0.00 1.54 0.00 0.00 36.73 38.22 1xnr h TYR 88 CO -0.00 0.00 -0.08 1.21 -1.64 0.00 0.00 178.16 177.65 1xnr s ASN 89 N -6.40 -0.94 0.39 -2.11 2.47 -0.10 -5.02 114.94 103.23 1xnr s ASN 89 Ca -0.05 0.53 0.27 0.00 0.42 0.00 0.00 52.86 54.04 1xnr s ASN 89 Cb 0.17 1.76 1.37 0.00 -1.45 0.00 0.00 41.25 43.11 1xnr s ASN 89 CO 0.65 -0.17 1.83 1.55 -3.72 0.00 0.00 177.10 177.24 1xnr h PRO 90 N 7.97 0.00 0.00 0.43 0.13 -1.21 -1.79 132.00 137.52 1xnr h PRO 90 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1xnr h PRO 90 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xnr h PRO 90 CO 0.08 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.60 1xnr n ASP 91 N -2.48 0.00 0.12 1.44 9.92 -1.26 -2.92 116.55 121.36 1xnr n ASP 91 Ca -0.01 -0.67 -0.21 0.00 -0.53 0.00 0.00 54.79 53.37 1xnr n ASP 91 Cb 0.12 -0.08 -0.15 0.00 -0.64 0.00 0.00 41.12 40.36 1xnr n ASP 91 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1xnr h TYR 92 N 0.00 0.74 -0.85 1.24 0.99 -1.63 -3.35 116.97 114.11 1xnr h TYR 92 Ca 0.00 -0.54 0.08 0.00 2.00 0.00 0.00 58.73 60.27 1xnr h TYR 92 Cb 0.08 -0.03 -0.11 0.00 1.00 0.00 0.00 36.73 37.67 1xnr h TYR 92 CO 0.00 1.47 -0.54 0.00 -0.00 0.00 0.00 178.16 179.09 1xnr h ARG 93 N 0.11 -0.05 -2.71 4.88 3.08 -1.72 -0.90 114.38 117.08 1xnr h ARG 93 Ca -0.23 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.79 1xnr h ARG 93 Cb 2.09 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 32.13 1xnr h ARG 93 CO 0.23 -0.03 0.29 0.00 -1.07 0.00 0.00 179.97 179.39 1xnr n ALA 94 N -3.21 2.04 -0.20 0.04 0.00 -1.26 0.11 120.51 118.04 1xnr n ALA 94 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1xnr n ALA 94 Cb 0.25 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.49 1xnr n ALA 94 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1xnr n LYS 95 N 2.79 0.00 -0.03 0.00 4.81 -0.37 -4.89 118.16 120.46 1xnr n LYS 95 Ca 0.07 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1xnr n LYS 95 Cb 0.17 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.15 1xnr n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1xnr n LEU 96 N 0.00 0.00 -0.32 3.14 4.32 0.30 -4.53 117.00 119.90 1xnr n LEU 96 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.96 1xnr n LEU 96 Cb 0.00 0.13 0.09 0.00 -1.62 0.00 0.00 43.42 42.01 1xnr n LEU 96 CO 0.00 0.13 1.23 0.50 -1.22 0.00 0.00 177.39 178.03 1xnr h LYS 97 N 0.00 1.17 0.00 3.23 3.64 -0.54 -0.94 116.57 123.12 1xnr h LYS 97 Ca -0.14 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 1xnr h LYS 97 Cb 1.07 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1xnr h LYS 97 CO 0.01 0.79 -0.12 -1.35 -2.27 0.00 0.00 179.45 176.50 1xnr h PRO 98 N 1.19 0.00 -0.28 1.90 0.11 -1.81 -2.35 132.00 130.77 1xnr h PRO 98 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1xnr h PRO 98 Cb -0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.00 1xnr h PRO 98 CO -0.07 0.12 0.00 1.28 -0.21 0.00 0.00 178.00 179.12 1xnr n LEU 99 N -4.27 3.14 0.00 2.35 7.99 -0.79 -5.04 117.00 120.38 1xnr n LEU 99 Ca -0.03 -1.28 0.00 0.00 -0.01 0.00 0.00 56.01 54.70 1xnr n LEU 99 Cb 0.19 -0.17 0.00 0.00 -0.11 0.00 0.00 43.42 43.33 1xnr n LEU 99 CO 0.35 0.64 0.00 0.61 -1.51 0.00 0.00 177.39 177.47 1xnr n GLY 100 N 1.43 1.55 5.00 -0.72 0.00 -0.43 -4.92 105.19 107.10 1xnr n GLY 100 Ca 0.18 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1xnr n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xnr n PHE 101 N 0.00 0.00 -2.57 1.61 0.99 -1.26 -4.23 117.46 112.00 1xnr n PHE 101 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.02 1xnr n PHE 101 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 1xnr n PHE 101 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 1xnr n LEU 102 N 0.00 5.94 -2.87 4.37 -0.00 -1.26 -4.53 117.00 118.65 1xnr n LEU 102 Ca 0.00 -4.48 -0.02 0.00 -0.00 0.00 0.00 56.01 51.51 1xnr n LEU 102 Cb 0.00 -1.57 0.01 0.00 -0.00 0.00 0.00 43.42 41.86 1xnr n LEU 102 CO 0.00 0.99 0.18 -0.89 -0.00 0.00 0.00 177.39 177.68 1xnr s THR 103 N 1.38 -0.84 0.20 1.47 2.01 -1.26 -5.01 115.64 113.58 1xnr s THR 103 Ca 0.43 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.57 1xnr s THR 103 Cb 0.04 0.00 -0.17 0.00 0.01 0.00 0.00 72.50 72.39 1xnr s THR 103 CO 0.00 0.00 0.64 -1.14 -0.69 0.00 0.00 174.62 173.43 1xnr n ARG 104 N 3.33 0.21 -3.12 4.92 0.00 -1.26 -4.84 116.66 115.90 1xnr n ARG 104 Ca 0.14 0.07 -0.43 0.00 -0.00 0.00 0.00 57.85 57.64 1xnr n ARG 104 Cb 0.58 -1.17 -0.07 0.00 0.00 0.00 0.00 32.46 31.80 1xnr n ARG 104 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1xnr s ASP 105 N -0.84 6.29 0.28 6.15 -1.08 -1.26 -4.95 116.67 121.26 1xnr s ASP 105 Ca 0.65 -0.47 0.01 0.00 -0.52 0.00 0.00 52.55 52.22 1xnr s ASP 105 Cb -0.92 -2.31 0.55 0.00 -1.46 0.00 0.00 42.92 38.77 1xnr s ASP 105 CO 0.56 -0.81 1.82 0.00 0.52 0.00 0.00 175.17 177.27 1xnr h ALA 106 N 8.91 1.47 -0.24 3.66 0.00 -1.95 -3.38 119.26 127.73 1xnr h ALA 106 Ca -0.26 0.03 -0.44 0.00 0.00 0.00 0.00 54.91 54.24 1xnr h ALA 106 Cb 1.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1xnr h ALA 106 CO 0.91 0.17 0.56 0.54 0.00 0.00 0.00 179.25 181.44 1xnr n ARG 107 N -4.66 0.00 -3.84 0.00 1.74 -1.26 -4.90 116.66 103.73 1xnr n ARG 107 Ca 0.19 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.15 1xnr n ARG 107 Cb 0.37 -0.81 -0.12 0.00 -1.02 0.00 0.00 32.46 30.87 1xnr n ARG 107 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xnr s VAL 108 N 2.53 0.02 -0.26 1.55 1.01 -1.26 -4.25 120.40 119.74 1xnr s VAL 108 Ca 0.61 -0.17 -0.42 0.00 0.00 0.00 0.00 61.98 62.00 1xnr s VAL 108 Cb -0.81 -0.23 -0.18 0.00 0.00 0.00 0.00 36.38 35.15 1xnr s VAL 108 CO 0.40 -0.10 1.53 0.52 0.00 0.00 0.00 175.10 177.45 1xnr n VAL 109 N 2.65 0.11 -2.60 2.92 0.31 -1.26 -4.88 118.33 115.58 1xnr n VAL 109 Ca -0.15 -0.02 -0.38 0.00 -0.01 0.00 0.00 64.34 63.78 1xnr n VAL 109 Cb 0.58 -0.73 -0.05 0.00 -0.91 0.00 0.00 33.84 32.74 1xnr n VAL 109 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1xnr s GLU 110 N 2.37 4.50 0.75 5.55 2.12 -1.26 -5.02 118.70 127.70 1xnr s GLU 110 Ca 0.98 1.55 -0.13 0.00 0.36 0.00 0.00 54.97 57.73 1xnr s GLU 110 Cb -1.23 -2.89 0.05 0.00 0.26 0.00 0.00 34.13 30.31 1xnr s GLU 110 CO 0.67 0.15 1.15 0.50 -0.54 0.00 0.00 175.26 177.19 1xnr s ARG 111 N -1.90 2.16 -0.34 4.30 3.52 -1.26 -4.98 118.95 120.45 1xnr s ARG 111 Ca 0.50 1.52 -0.21 0.00 -0.13 0.00 0.00 55.73 57.40 1xnr s ARG 111 Cb -0.25 -1.86 0.00 0.00 -1.56 0.00 0.00 34.95 31.28 1xnr s ARG 111 CO 0.31 -1.77 0.68 0.21 -0.81 0.00 0.00 175.30 173.92 1xnr s LYS 112 N -4.25 3.77 0.61 5.12 2.20 -1.26 -4.60 119.74 121.32 1xnr s LYS 112 Ca 0.69 0.21 -0.07 0.00 -0.36 0.00 0.00 55.97 56.44 1xnr s LYS 112 Cb -0.24 -3.78 0.01 0.00 -1.51 0.00 0.00 37.83 32.31 1xnr s LYS 112 CO 0.48 -0.72 0.93 0.15 -0.36 0.00 0.00 175.35 175.84 1xnr s LYS 113 N 2.79 2.89 0.46 4.03 3.01 -1.26 -4.85 119.74 126.80 1xnr s LYS 113 Ca 0.27 0.06 -0.06 0.00 -1.01 0.00 0.00 55.97 55.23 1xnr s LYS 113 Cb -0.14 -2.23 -0.04 0.00 -1.01 0.00 0.00 37.83 34.41 1xnr s LYS 113 CO 0.14 -0.77 0.76 1.52 0.51 0.00 0.00 175.35 177.52 1xnr s TYR 114 N -3.05 3.54 -1.53 3.18 -0.85 -1.26 -3.73 117.35 113.64 1xnr s TYR 114 Ca 0.55 0.81 -0.01 0.00 -0.52 0.00 0.00 57.07 57.90 1xnr s TYR 114 Cb -0.11 -2.29 0.00 0.00 0.38 0.00 0.00 41.96 39.94 1xnr s TYR 114 CO 0.46 -0.22 0.19 0.41 -1.52 0.00 0.00 175.55 174.88 1xnr n GLY 115 N -2.05 -0.40 2.63 5.49 0.00 -1.26 -4.91 105.19 104.69 1xnr n GLY 115 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 1xnr n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xnr n LYS 116 N -3.11 0.73 0.00 1.61 4.76 -1.24 -4.52 118.16 116.38 1xnr n LYS 116 Ca -0.18 -2.08 0.00 0.00 -2.87 0.00 0.00 58.31 53.17 1xnr n LYS 116 Cb 0.65 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 1xnr n LYS 116 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1xnr n HIS 117 N 1.77 0.00 -2.98 2.13 8.25 -1.07 -0.04 115.22 123.28 1xnr n HIS 117 Ca 0.13 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.31 1xnr n HIS 117 Cb 0.60 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.67 1xnr n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1xnr n LYS 118 N -0.47 3.30 0.00 -0.41 5.02 -1.18 -4.97 118.16 119.45 1xnr n LYS 118 Ca 0.00 -4.83 0.00 0.00 -2.02 0.00 0.00 58.31 51.46 1xnr n LYS 118 Cb 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 32.75 1xnr n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xnr n ALA 119 N -0.09 0.00 -0.18 7.82 0.00 0.95 -3.03 120.51 125.98 1xnr n ALA 119 Ca 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.75 1xnr n ALA 119 Cb 0.38 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.91 1xnr n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnr h ARG 120 N 0.00 0.12 -5.79 0.00 3.08 -1.87 -3.41 114.38 106.50 1xnr h ARG 120 Ca 0.00 -0.01 -0.63 0.00 0.07 0.00 0.00 59.98 59.41 1xnr h ARG 120 Cb 0.00 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1xnr h ARG 120 CO 0.00 0.08 1.48 -2.13 -1.07 0.00 0.00 179.97 178.33 1xnr n ARG 121 N -5.25 0.76 -3.32 0.04 0.00 -1.17 -4.91 116.66 102.81 1xnr n ARG 121 Ca 0.07 0.17 -0.37 0.00 -0.00 0.00 0.00 57.85 57.72 1xnr n ARG 121 Cb 0.31 -2.31 -0.06 0.00 0.00 0.00 0.00 32.46 30.41 1xnr n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xnr s ALA 122 N 8.00 3.58 0.79 5.13 0.00 -1.26 -2.61 121.76 135.39 1xnr s ALA 122 Ca 1.14 -0.06 -0.14 0.00 0.00 0.00 0.00 51.96 52.89 1xnr s ALA 122 Cb -0.92 -2.57 0.05 0.00 0.00 0.00 0.00 23.12 19.68 1xnr s ALA 122 CO 0.48 0.43 1.07 -0.35 0.00 0.00 0.00 175.76 177.40 1xnr n PRO 123 N 1.20 0.27 -3.28 0.00 -0.04 -1.26 -4.90 135.00 126.99 1xnr n PRO 123 Ca -0.08 0.16 -0.32 0.00 -0.04 0.00 0.00 63.50 63.23 1xnr n PRO 123 Cb 0.51 -2.33 -0.05 0.00 -0.04 0.00 0.00 33.50 31.59 1xnr n PRO 123 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1xnr s GLN 124 N -3.81 3.87 0.27 0.54 0.74 -1.26 -5.09 119.66 114.92 1xnr s GLN 124 Ca 0.72 0.43 0.03 0.00 0.05 0.00 0.00 55.36 56.59 1xnr s GLN 124 Cb -0.31 -2.55 -0.04 0.00 1.10 0.00 0.00 33.01 31.22 1xnr s GLN 124 CO 0.52 0.23 0.18 1.52 -0.55 0.00 0.00 175.29 177.19 1xnr s TYR 125 N -1.92 1.48 0.23 1.67 -0.85 -1.26 -5.18 117.35 111.52 1xnr s TYR 125 Ca 0.50 -1.45 0.02 0.00 -0.52 0.00 0.00 57.07 55.62 1xnr s TYR 125 Cb -0.11 -0.71 -0.05 0.00 0.38 0.00 0.00 41.96 41.47 1xnr s TYR 125 CO 0.21 -0.66 0.04 -1.54 -1.52 0.00 0.00 175.55 172.08 1xnr s SER 126 N -3.29 1.43 -0.11 -0.18 1.04 -1.26 -5.03 113.70 106.30 1xnr s SER 126 Ca 0.38 -1.29 -0.07 0.00 0.48 0.00 0.00 55.95 55.45 1xnr s SER 126 Cb 0.05 0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.30 1xnr s SER 126 CO 0.18 -0.63 0.15 1.17 0.98 0.00 0.00 173.24 175.09 1xnr n LYS 127 N -0.41 -3.35 0.00 4.02 3.00 -1.26 -5.36 118.16 114.81 1xnr n LYS 127 Ca -0.03 2.60 0.00 0.00 -0.00 0.00 0.00 58.31 60.88 1xnr n LYS 127 Cb 0.65 -3.41 0.00 0.00 0.00 0.00 0.00 35.03 32.27 1xnr n LYS 127 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27