#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmq n GLN 3 N 0.00 0.85 -3.74 5.31 10.64 -1.26 -4.45 117.38 124.73 1xmq n GLN 3 Ca 0.00 -2.30 -0.12 0.00 -1.83 0.00 0.00 57.00 52.74 1xmq n GLN 3 Cb 0.00 2.52 -0.11 0.00 -0.86 0.00 0.00 30.24 31.79 1xmq n GLN 3 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1xmq s TYR 4 N -2.93 -0.40 -0.07 2.61 1.51 -0.69 -4.94 117.35 112.44 1xmq s TYR 4 Ca 0.20 0.94 0.05 0.00 -1.01 0.00 0.00 57.07 57.26 1xmq s TYR 4 Cb -0.03 0.14 -0.01 0.00 -0.11 0.00 0.00 41.96 41.95 1xmq s TYR 4 CO 0.15 -0.22 -0.23 -0.47 -1.11 0.00 0.00 175.55 173.67 1xmq s TYR 5 N 0.64 2.50 0.33 2.71 6.14 -1.25 0.17 117.35 128.60 1xmq s TYR 5 Ca -0.04 -0.77 0.01 0.00 0.64 0.00 0.00 57.07 56.91 1xmq s TYR 5 Cb -0.05 -1.64 -0.00 0.00 0.42 0.00 0.00 41.96 40.68 1xmq s TYR 5 CO -0.04 -0.25 0.02 0.41 0.64 0.00 0.00 175.55 176.33 1xmq n GLY 6 N 3.09 3.72 0.00 8.97 0.00 0.36 -4.10 105.19 117.22 1xmq n GLY 6 Ca -0.18 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.57 1xmq n GLY 6 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xmq n THR 7 N -0.82 0.00 0.00 2.61 -1.04 -1.26 -2.36 114.28 111.41 1xmq n THR 7 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1xmq n THR 7 Cb 0.44 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 1xmq n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xmq n GLY 8 N 1.84 -1.33 3.09 3.41 0.00 -1.26 -1.76 105.19 109.19 1xmq n GLY 8 Ca 0.00 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 1xmq n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xmq s ARG 9 N -5.15 0.48 -0.12 1.61 0.52 -1.26 -2.59 118.95 112.43 1xmq s ARG 9 Ca 0.00 -0.47 -0.13 0.00 -0.52 0.00 0.00 55.73 54.61 1xmq s ARG 9 Cb 0.00 0.19 0.03 0.00 0.52 0.00 0.00 34.95 35.70 1xmq s ARG 9 CO 0.00 -0.11 0.37 0.50 0.02 0.00 0.00 175.30 176.07 1xmq s ARG 10 N -1.54 0.47 -0.53 3.54 6.06 -0.97 -4.42 118.95 121.56 1xmq s ARG 10 Ca -0.14 0.43 -0.01 0.00 -2.50 0.00 0.00 55.73 53.51 1xmq s ARG 10 Cb -0.07 0.22 0.01 0.00 0.06 0.00 0.00 34.95 35.17 1xmq s ARG 10 CO 0.01 -0.07 0.03 1.17 -2.50 0.00 0.00 175.30 173.94 1xmq n LYS 11 N 2.68 -0.97 -2.40 5.12 4.81 -1.26 -1.05 118.16 125.09 1xmq n LYS 11 Ca -0.14 0.03 -0.04 0.00 -0.87 0.00 0.00 58.31 57.29 1xmq n LYS 11 Cb 0.57 -1.23 0.02 0.00 0.02 0.00 0.00 35.03 34.41 1xmq n LYS 11 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1xmq n GLU 12 N -2.10 -0.95 -3.64 1.64 2.13 -1.26 -4.86 120.64 111.60 1xmq n GLU 12 Ca -0.09 0.79 -0.07 0.00 0.66 0.00 0.00 57.16 58.45 1xmq n GLU 12 Cb 0.22 -3.84 -0.07 0.00 0.27 0.00 0.00 31.44 28.02 1xmq n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xmq s ALA 13 N -3.10 -2.05 0.04 4.31 0.00 -0.22 -3.04 121.76 117.70 1xmq s ALA 13 Ca 0.11 2.09 0.03 0.00 0.00 0.00 0.00 51.96 54.20 1xmq s ALA 13 Cb -0.01 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 1xmq s ALA 13 CO 0.41 -0.31 0.00 0.08 0.00 0.00 0.00 175.76 175.94 1xmq s VAL 14 N 0.86 4.12 -0.03 0.00 1.01 0.06 -2.29 120.40 124.13 1xmq s VAL 14 Ca -0.04 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1xmq s VAL 14 Cb -0.04 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.47 1xmq s VAL 14 CO -0.11 0.27 0.04 0.00 0.00 0.00 0.00 175.10 175.30 1xmq s ALA 15 N -1.18 0.18 0.02 5.51 0.00 -1.07 -0.53 121.76 124.68 1xmq s ALA 15 Ca 0.22 0.24 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 1xmq s ALA 15 Cb -0.12 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 1xmq s ALA 15 CO 0.14 -0.25 0.36 1.03 0.00 0.00 0.00 175.76 177.04 1xmq s ARG 16 N 1.49 3.77 -0.15 0.00 0.52 0.30 -3.98 118.95 120.90 1xmq s ARG 16 Ca -0.04 0.22 -0.04 0.00 -0.52 0.00 0.00 55.73 55.35 1xmq s ARG 16 Cb -0.13 -3.12 0.06 0.00 0.52 0.00 0.00 34.95 32.28 1xmq s ARG 16 CO -0.03 0.65 0.08 0.08 0.02 0.00 0.00 175.30 176.10 1xmq s VAL 17 N -1.21 -0.05 -0.29 3.52 1.01 -1.00 -2.71 120.40 119.67 1xmq s VAL 17 Ca 0.26 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 1xmq s VAL 17 Cb -0.15 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.71 1xmq s VAL 17 CO 0.14 -0.22 0.04 -0.36 0.00 0.00 0.00 175.10 174.71 1xmq s PHE 18 N 2.13 3.16 -0.03 5.22 0.40 -0.95 -0.49 117.98 127.43 1xmq s PHE 18 Ca 0.02 -1.28 -0.16 0.00 -0.60 0.00 0.00 56.93 54.91 1xmq s PHE 18 Cb -0.16 -2.20 -0.05 0.00 0.51 0.00 0.00 43.02 41.12 1xmq s PHE 18 CO -0.08 -0.66 0.42 -0.51 0.70 0.00 0.00 175.22 175.09 1xmq s LEU 19 N 1.42 4.43 0.01 -0.37 1.43 0.13 -1.65 118.68 124.07 1xmq s LEU 19 Ca 0.00 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1xmq s LEU 19 Cb -0.18 -2.61 -0.01 0.00 0.03 0.00 0.00 46.19 43.42 1xmq s LEU 19 CO 0.01 0.25 -0.04 -0.13 0.23 0.00 0.00 176.35 176.67 1xmq s ARG 20 N -0.67 0.29 1.09 1.70 0.52 0.12 -1.71 118.95 120.29 1xmq s ARG 20 Ca 0.24 -0.35 -0.12 0.00 -0.52 0.00 0.00 55.73 54.97 1xmq s ARG 20 Cb -0.16 -0.13 0.24 0.00 0.52 0.00 0.00 34.95 35.42 1xmq s ARG 20 CO 0.12 0.02 1.06 -2.14 0.02 0.00 0.00 175.30 174.39 1xmq s PRO 21 N -0.72 -0.34 0.00 3.54 0.02 -1.26 0.29 135.00 136.53 1xmq s PRO 21 Ca -0.06 0.96 0.00 0.00 0.02 0.00 0.00 61.00 61.93 1xmq s PRO 21 Cb -0.05 -1.61 0.00 0.00 0.02 0.00 0.00 34.50 32.86 1xmq s PRO 21 CO -0.00 -3.37 0.00 0.41 -0.33 0.00 0.00 177.00 173.70 1xmq n GLY 22 N 0.45 0.62 0.00 0.52 0.00 -1.22 -4.42 105.19 101.15 1xmq n GLY 22 Ca 0.05 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1xmq n GLY 22 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xmq n ASN 23 N 0.00 0.00 0.00 1.61 4.05 -1.26 -4.18 115.26 115.48 1xmq n ASN 23 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1xmq n ASN 23 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1xmq n ASN 23 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1xmq n GLY 24 N 0.00 0.00 3.82 8.20 0.00 -1.13 -4.12 105.19 111.95 1xmq n GLY 24 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1xmq n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xmq s LYS 25 N 0.00 4.05 0.08 1.61 -2.85 -1.26 -4.82 119.74 116.55 1xmq s LYS 25 Ca 0.00 1.13 0.06 0.00 -1.00 0.00 0.00 55.97 56.16 1xmq s LYS 25 Cb 0.00 -2.15 -0.03 0.00 -2.06 0.00 0.00 37.83 33.59 1xmq s LYS 25 CO 0.00 -0.19 -0.16 0.08 0.10 0.00 0.00 175.35 175.18 1xmq s VAL 26 N -2.25 1.26 0.06 1.79 1.01 -1.26 -2.87 120.40 118.14 1xmq s VAL 26 Ca 0.62 -1.37 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1xmq s VAL 26 Cb -0.11 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1xmq s VAL 26 CO 0.19 -0.19 -0.09 -0.89 0.00 0.00 0.00 175.10 174.12 1xmq s THR 27 N -1.25 0.70 -0.31 3.92 2.01 -0.64 -3.20 115.64 116.87 1xmq s THR 27 Ca 0.00 -1.23 -0.01 0.00 0.31 0.00 0.00 61.69 60.76 1xmq s THR 27 Cb -0.10 -0.84 0.13 0.00 0.01 0.00 0.00 72.50 71.70 1xmq s THR 27 CO 0.03 -0.40 0.26 -0.69 -0.69 0.00 0.00 174.62 173.13 1xmq s VAL 28 N -1.61 -0.28 -0.54 3.82 1.01 -0.62 -0.90 120.40 121.28 1xmq s VAL 28 Ca -0.06 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1xmq s VAL 28 Cb -0.08 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1xmq s VAL 28 CO 0.00 -0.58 0.13 0.59 0.00 0.00 0.00 175.10 175.24 1xmq n ASN 29 N 5.06 -2.90 0.00 3.32 4.13 -0.76 -3.62 115.26 120.50 1xmq n ASN 29 Ca -0.00 -0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.19 1xmq n ASN 29 Cb 0.44 -1.96 0.00 0.00 -1.54 0.00 0.00 39.78 36.72 1xmq n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xmq n GLY 30 N -1.00 2.11 3.47 7.41 0.00 -1.26 -4.99 105.19 110.93 1xmq n GLY 30 Ca -0.05 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 1xmq n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xmq n GLN 31 N 0.00 0.50 -2.44 1.61 6.02 -1.24 -4.90 117.38 116.94 1xmq n GLN 31 Ca 0.00 0.20 -0.35 0.00 -0.01 0.00 0.00 57.00 56.84 1xmq n GLN 31 Cb 0.00 -1.72 -0.02 0.00 1.02 0.00 0.00 30.24 29.52 1xmq n GLN 31 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1xmq s ASP 32 N -1.20 6.15 0.12 1.08 -1.08 -1.26 -1.59 116.67 118.90 1xmq s ASP 32 Ca 0.69 2.03 -0.24 0.00 -0.52 0.00 0.00 52.55 54.51 1xmq s ASP 32 Cb -0.44 -2.57 -0.05 0.00 -1.46 0.00 0.00 42.92 38.40 1xmq s ASP 32 CO 0.54 -0.92 1.38 0.33 0.52 0.00 0.00 175.17 177.02 1xmq n PHE 33 N -1.01 -0.34 0.24 -5.34 7.35 -1.20 0.13 117.46 117.29 1xmq n PHE 33 Ca 0.10 0.97 0.18 0.00 -0.76 0.00 0.00 57.45 57.94 1xmq n PHE 33 Cb 0.52 -0.56 0.85 0.00 0.35 0.00 0.00 39.48 40.63 1xmq n PHE 33 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 1xmq h ASN 34 N 0.00 0.00 0.01 -2.13 2.35 -1.91 -1.06 115.58 112.84 1xmq h ASN 34 Ca 0.12 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1xmq h ASN 34 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1xmq h ASN 34 CO -0.73 0.00 -0.00 -0.08 -1.65 0.00 0.00 177.43 174.97 1xmq h GLU 35 N 0.00 -0.01 -0.30 0.81 4.57 0.70 -3.27 114.58 117.08 1xmq h GLU 35 Ca 0.07 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.23 1xmq h GLU 35 Cb 0.66 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 1xmq h GLU 35 CO -0.00 0.86 0.08 -0.92 -1.18 0.00 0.00 179.01 177.85 1xmq h TYR 36 N -0.94 0.49 -2.18 0.92 3.20 -0.52 -3.21 116.97 114.72 1xmq h TYR 36 Ca -0.00 -0.05 -0.79 0.00 3.14 0.00 0.00 58.73 61.02 1xmq h TYR 36 Cb 0.87 -0.14 -0.24 0.00 1.54 0.00 0.00 36.73 38.76 1xmq h TYR 36 CO 0.24 0.52 1.29 1.19 -1.64 0.00 0.00 178.16 179.75 1xmq n PHE 37 N -4.69 2.59 -1.54 -3.82 0.99 -0.47 -4.99 117.46 105.53 1xmq n PHE 37 Ca -0.02 -2.63 -0.27 0.00 -0.00 0.00 0.00 57.45 54.53 1xmq n PHE 37 Cb 0.17 -1.40 -0.09 0.00 -1.00 0.00 0.00 39.48 37.17 1xmq n PHE 37 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1xmq n GLN 38 N 1.06 0.60 -2.91 -1.08 1.13 -1.21 -3.20 117.38 111.76 1xmq n GLN 38 Ca 0.42 -0.30 -0.17 0.00 -1.94 0.00 0.00 57.00 55.01 1xmq n GLN 38 Cb 0.29 -2.95 -0.00 0.00 0.11 0.00 0.00 30.24 27.68 1xmq n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xmq n GLY 39 N 6.29 -0.49 3.25 1.08 0.00 -1.26 -4.87 105.19 109.19 1xmq n GLY 39 Ca 0.48 0.05 -0.44 0.00 0.00 0.00 0.00 46.02 46.11 1xmq n GLY 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xmq n LEU 40 N -3.28 5.76 0.00 0.99 4.77 -1.20 -4.95 117.00 119.09 1xmq n LEU 40 Ca -0.07 -4.80 0.00 0.00 -0.03 0.00 0.00 56.01 51.10 1xmq n LEU 40 Cb 0.57 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 1xmq n LEU 40 CO 0.34 1.20 0.00 0.52 -1.33 0.00 0.00 177.39 178.11 1xmq n VAL 41 N 3.22 0.00 -0.29 4.08 0.31 -1.26 0.95 118.33 125.34 1xmq n VAL 41 Ca 0.31 0.00 0.31 0.00 -0.01 0.00 0.00 64.34 64.95 1xmq n VAL 41 Cb 0.39 0.00 0.70 0.00 -0.91 0.00 0.00 33.84 34.01 1xmq n VAL 41 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1xmq h ARG 42 N 0.00 0.08 -0.59 5.55 3.08 -1.99 -2.94 114.38 117.57 1xmq h ARG 42 Ca 0.00 -0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.20 1xmq h ARG 42 Cb 0.00 -0.02 -0.11 0.00 0.08 0.00 0.00 29.97 29.92 1xmq h ARG 42 CO 0.00 0.05 -0.03 0.00 -1.07 0.00 0.00 179.97 178.92 1xmq n ALA 43 N -2.70 0.26 -0.01 0.04 0.00 0.27 -0.23 120.51 118.14 1xmq n ALA 43 Ca 0.24 0.64 -0.01 0.00 0.00 0.00 0.00 53.44 54.31 1xmq n ALA 43 Cb 1.10 -0.44 -0.00 0.00 0.00 0.00 0.00 19.45 20.11 1xmq n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xmq h VAL 44 N 0.00 0.00 -0.61 0.00 2.07 -1.75 -1.28 116.25 114.69 1xmq h VAL 44 Ca 0.34 0.00 0.23 0.00 0.82 0.00 0.00 66.70 68.09 1xmq h VAL 44 Cb 0.65 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 1xmq h VAL 44 CO -0.57 0.00 0.37 0.00 0.02 0.00 0.00 177.57 177.39 1xmq n ALA 45 N -2.88 0.61 0.07 1.67 0.00 0.69 -1.32 120.51 119.35 1xmq n ALA 45 Ca -0.00 0.48 0.02 0.00 0.00 0.00 0.00 53.44 53.93 1xmq n ALA 45 Cb 0.01 -0.53 0.08 0.00 0.00 0.00 0.00 19.45 19.02 1xmq n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xmq n ALA 46 N -2.59 0.34 -0.01 0.00 0.00 -0.48 0.12 120.51 117.87 1xmq n ALA 46 Ca 0.20 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1xmq n ALA 46 Cb 0.73 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1xmq n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xmq n LEU 47 N -1.47 1.29 -0.38 0.00 4.77 -0.43 -3.49 117.00 117.29 1xmq n LEU 47 Ca -0.00 -1.29 0.29 0.00 -0.03 0.00 0.00 56.01 54.98 1xmq n LEU 47 Cb 0.41 0.00 0.56 0.00 -2.33 0.00 0.00 43.42 42.06 1xmq n LEU 47 CO 0.01 0.32 1.20 -0.08 -1.33 0.00 0.00 177.39 177.51 1xmq h GLU 48 N 0.00 0.23 -0.31 3.23 4.57 0.69 -0.53 114.58 122.45 1xmq h GLU 48 Ca 0.00 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1xmq h GLU 48 Cb 0.16 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 1xmq h GLU 48 CO 0.00 0.15 0.04 -1.00 -1.18 0.00 0.00 179.01 177.02 1xmq h PRO 49 N 0.23 0.14 0.27 0.92 0.13 -1.86 -0.17 132.00 131.67 1xmq h PRO 49 Ca 0.73 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.85 1xmq h PRO 49 Cb 2.03 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 33.10 1xmq h PRO 49 CO -0.43 0.09 -0.42 -0.07 -0.23 0.00 0.00 178.00 176.94 1xmq h LEU 50 N 0.15 -1.21 -1.05 1.56 3.38 -1.37 0.11 115.31 116.88 1xmq h LEU 50 Ca 0.15 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1xmq h LEU 50 Cb 0.17 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1xmq h LEU 50 CO -0.21 -0.50 0.49 0.03 0.09 0.00 0.00 178.44 178.33 1xmq h ARG 51 N -0.73 0.00 -0.05 1.13 3.08 -1.36 0.54 114.38 116.99 1xmq h ARG 51 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1xmq h ARG 51 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1xmq h ARG 51 CO -0.13 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.77 1xmq n ALA 52 N -1.64 2.59 -1.71 0.04 0.00 0.37 -3.74 120.51 116.42 1xmq n ALA 52 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1xmq n ALA 52 Cb 0.51 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1xmq n ALA 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1xmq n VAL 53 N -0.28 0.00 -0.81 0.00 0.24 0.19 -4.96 118.33 112.72 1xmq n VAL 53 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.48 1xmq n VAL 53 Cb 0.22 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.17 1xmq n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1xmq n ASP 54 N 0.00 -0.07 0.00 -1.34 8.00 -1.13 -4.98 116.55 117.03 1xmq n ASP 54 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1xmq n ASP 54 Cb 0.62 -0.98 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 1xmq n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xmq n ALA 55 N 1.00 0.00 0.00 2.24 0.00 -1.17 -4.56 120.51 118.02 1xmq n ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xmq n ALA 55 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xmq n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xmq n LEU 56 N 0.00 0.00 -0.84 0.00 0.00 -1.26 -3.94 117.00 110.96 1xmq n LEU 56 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 56.01 56.13 1xmq n LEU 56 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 43.42 43.70 1xmq n LEU 56 CO 0.00 0.00 0.73 0.61 0.00 0.00 0.00 177.39 178.73 1xmq n GLY 57 N 0.00 0.90 0.00 -3.96 0.00 -1.26 -3.76 105.19 97.11 1xmq n GLY 57 Ca 0.00 -0.59 0.10 0.00 0.00 0.00 0.00 46.02 45.53 1xmq n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xmq n ARG 58 N 0.92 0.56 -4.64 1.61 5.12 -1.25 -4.48 116.66 114.50 1xmq n ARG 58 Ca 0.17 -0.08 -0.29 0.00 -1.93 0.00 0.00 57.85 55.73 1xmq n ARG 58 Cb 0.48 -1.45 -0.08 0.00 -1.16 0.00 0.00 32.46 30.26 1xmq n ARG 58 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1xmq s PHE 59 N -3.08 1.86 0.05 -1.55 0.40 -1.25 -3.39 117.98 111.03 1xmq s PHE 59 Ca 0.01 -1.09 -0.02 0.00 -0.60 0.00 0.00 56.93 55.23 1xmq s PHE 59 Cb 0.14 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 42.23 1xmq s PHE 59 CO 0.82 -0.01 -0.00 0.34 0.70 0.00 0.00 175.22 177.07 1xmq s ASP 60 N -3.74 0.44 -0.16 1.36 -1.08 0.84 -2.86 116.67 111.48 1xmq s ASP 60 Ca 0.16 -0.94 -0.05 0.00 -0.52 0.00 0.00 52.55 51.20 1xmq s ASP 60 Cb 0.03 0.21 0.08 0.00 -1.46 0.00 0.00 42.92 41.77 1xmq s ASP 60 CO 0.09 -0.60 0.31 0.00 0.52 0.00 0.00 175.17 175.49 1xmq s ALA 61 N -3.81 -0.74 -0.31 3.66 0.00 -1.14 0.10 121.76 119.53 1xmq s ALA 61 Ca 0.06 1.06 -0.19 0.00 0.00 0.00 0.00 51.96 52.90 1xmq s ALA 61 Cb 0.07 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 1xmq s ALA 61 CO -0.10 -0.73 0.55 -0.47 0.00 0.00 0.00 175.76 175.01 1xmq s TYR 62 N 2.48 3.21 -0.11 0.00 5.04 -0.66 -1.61 117.35 125.70 1xmq s TYR 62 Ca 0.01 0.43 0.03 0.00 -2.44 0.00 0.00 57.07 55.11 1xmq s TYR 62 Cb -0.12 -2.89 0.00 0.00 0.35 0.00 0.00 41.96 39.30 1xmq s TYR 62 CO -0.10 -0.44 -0.23 0.42 -1.34 0.00 0.00 175.55 173.86 1xmq s ILE 63 N 2.44 2.14 -0.34 3.14 1.01 -0.08 -2.23 121.20 127.29 1xmq s ILE 63 Ca 0.21 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.90 1xmq s ILE 63 Cb -0.15 -1.83 0.09 0.00 0.01 0.00 0.00 42.46 40.58 1xmq s ILE 63 CO 0.12 0.55 0.05 -0.89 0.00 0.00 0.00 174.94 174.77 1xmq s THR 64 N 0.43 2.54 -0.11 2.92 2.01 -1.10 -1.82 115.64 120.51 1xmq s THR 64 Ca -0.16 -2.07 -0.01 0.00 0.31 0.00 0.00 61.69 59.76 1xmq s THR 64 Cb -0.17 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 1xmq s THR 64 CO 0.07 -0.47 -0.07 0.54 -0.69 0.00 0.00 174.62 174.00 1xmq s VAL 65 N 1.02 3.66 -0.14 3.82 0.11 -1.26 -0.54 120.40 127.08 1xmq s VAL 65 Ca 0.05 -0.47 -0.10 0.00 -2.93 0.00 0.00 61.98 58.54 1xmq s VAL 65 Cb -0.20 -2.54 0.04 0.00 -1.53 0.00 0.00 36.38 32.15 1xmq s VAL 65 CO -0.06 0.55 0.34 -0.60 -3.33 0.00 0.00 175.10 172.01 1xmq s ARG 66 N -0.24 0.36 0.00 1.54 3.52 0.31 -4.96 118.95 119.48 1xmq s ARG 66 Ca 0.03 0.58 0.00 0.00 -0.13 0.00 0.00 55.73 56.21 1xmq s ARG 66 Cb -0.13 0.07 0.00 0.00 -1.56 0.00 0.00 34.95 33.33 1xmq s ARG 66 CO 0.03 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 174.82 1xmq n GLY 67 N 3.56 2.37 4.47 8.12 0.00 -1.26 -0.76 105.19 121.68 1xmq n GLY 67 Ca -0.18 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1xmq n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xmq n GLY 68 N 1.73 0.96 3.08 -0.02 0.00 -1.17 -4.36 105.19 105.41 1xmq n GLY 68 Ca 0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 1xmq n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xmq s GLY 69 N 0.00 0.22 0.41 -0.02 0.00 -1.26 -5.03 107.32 101.64 1xmq s GLY 69 Ca 0.00 -0.61 0.25 0.00 0.00 0.00 0.00 44.72 44.36 1xmq s GLY 69 CO 0.00 -0.73 1.66 0.50 0.00 0.00 0.00 173.10 174.53 1xmq h LYS 70 N 3.89 0.18 0.00 2.90 1.57 -1.99 0.42 116.57 123.55 1xmq h LYS 70 Ca -0.32 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.31 1xmq h LYS 70 Cb 1.19 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 1xmq h LYS 70 CO 0.49 0.12 -0.65 1.03 -0.57 0.00 0.00 179.45 179.87 1xmq h SER 71 N 0.19 0.00 -0.10 0.86 0.87 -1.98 0.51 113.55 113.89 1xmq h SER 71 Ca 0.76 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 61.08 1xmq h SER 71 Cb 2.17 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 64.15 1xmq h SER 71 CO -0.43 0.65 -0.87 1.23 -0.53 0.00 0.00 176.83 176.88 1xmq h GLY 72 N 2.14 0.85 0.98 5.77 0.00 -0.59 -2.91 103.07 109.31 1xmq h GLY 72 Ca -0.01 -1.29 -0.03 0.00 0.00 0.00 0.00 47.33 46.00 1xmq h GLY 72 CO 0.09 1.14 0.21 1.46 0.00 0.00 0.00 176.54 179.44 1xmq h GLN 73 N 0.50 0.82 -0.66 4.80 4.20 -0.95 0.20 115.11 124.01 1xmq h GLN 73 Ca -0.08 -0.15 0.15 0.00 0.06 0.00 0.00 58.65 58.63 1xmq h GLN 73 Cb 1.50 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 29.12 1xmq h GLN 73 CO 0.18 0.72 0.46 0.82 -0.67 0.00 0.00 178.83 180.33 1xmq h ILE 74 N 0.74 0.77 0.13 2.54 2.04 -0.85 0.11 117.51 122.99 1xmq h ILE 74 Ca 0.18 -0.08 -0.18 0.00 1.00 0.00 0.00 64.86 65.77 1xmq h ILE 74 Cb 0.21 0.50 0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1xmq h ILE 74 CO -0.01 0.04 -0.83 0.44 0.00 0.00 0.00 178.15 177.80 1xmq h ASP 75 N 0.24 0.43 -0.04 1.72 3.32 -1.03 -2.84 116.42 118.23 1xmq h ASP 75 Ca 0.32 -0.94 0.03 0.00 0.02 0.00 0.00 57.03 56.46 1xmq h ASP 75 Cb 0.92 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.29 1xmq h ASP 75 CO -0.07 1.39 -0.19 0.00 -1.72 0.00 0.00 179.24 178.66 1xmq h ALA 76 N 0.06 -0.20 -0.42 3.45 0.00 0.56 -1.61 119.26 121.10 1xmq h ALA 76 Ca -0.15 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1xmq h ALA 76 Cb 1.61 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 19.67 1xmq h ALA 76 CO 0.13 -0.67 -0.05 0.82 0.00 0.00 0.00 179.25 179.48 1xmq h ILE 77 N -0.28 0.63 -1.45 0.00 2.04 -0.97 0.75 117.51 118.23 1xmq h ILE 77 Ca 0.07 -0.02 0.43 0.00 1.00 0.00 0.00 64.86 66.34 1xmq h ILE 77 Cb 0.38 0.58 -0.09 0.00 -0.74 0.00 0.00 36.82 36.95 1xmq h ILE 77 CO -0.20 0.01 1.01 0.50 0.00 0.00 0.00 178.15 179.47 1xmq h LYS 78 N 0.05 0.07 0.00 2.37 3.11 -1.04 -1.17 116.57 119.96 1xmq h LYS 78 Ca 0.20 -0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 58.01 1xmq h LYS 78 Cb 0.30 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.52 1xmq h LYS 78 CO -0.38 0.04 -0.19 1.25 -2.81 0.00 0.00 179.45 177.36 1xmq h LEU 79 N 0.07 0.00 -0.41 5.20 6.46 -0.55 -3.25 115.31 122.82 1xmq h LEU 79 Ca 0.76 -0.58 0.07 0.00 -0.12 0.00 0.00 57.88 58.00 1xmq h LEU 79 Cb 2.74 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 42.58 1xmq h LEU 79 CO -0.16 0.90 -0.46 1.23 -0.62 0.00 0.00 178.44 179.33 1xmq h GLY 80 N -1.00 -0.65 1.40 3.75 0.00 -0.40 0.68 103.07 106.86 1xmq h GLY 80 Ca -0.04 0.58 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1xmq h GLY 80 CO -0.03 -0.17 0.27 -2.22 0.00 0.00 0.00 176.54 174.39 1xmq h ILE 81 N -0.34 0.00 0.10 2.60 2.04 -1.54 0.89 117.51 121.26 1xmq h ILE 81 Ca 0.13 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.64 1xmq h ILE 81 Cb 0.59 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1xmq h ILE 81 CO -0.58 0.00 -1.92 0.00 0.00 0.00 0.00 178.15 175.65 1xmq n ALA 82 N -1.80 0.89 0.18 1.87 0.00 0.20 -3.54 120.51 118.31 1xmq n ALA 82 Ca -0.02 -0.60 -0.08 0.00 0.00 0.00 0.00 53.44 52.75 1xmq n ALA 82 Cb 0.31 -0.63 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 1xmq n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xmq h ARG 83 N -0.09 -0.50 -0.99 0.00 3.08 0.24 -2.93 114.38 113.19 1xmq h ARG 83 Ca -0.42 0.03 0.33 0.00 0.07 0.00 0.00 59.98 59.99 1xmq h ARG 83 Cb 1.92 0.11 -0.16 0.00 0.08 0.00 0.00 29.97 31.93 1xmq h ARG 83 CO 0.03 -0.33 0.52 0.00 -1.07 0.00 0.00 179.97 179.12 1xmq h ALA 84 N -1.30 1.92 0.00 0.04 0.00 0.50 2.52 119.26 122.94 1xmq h ALA 84 Ca -0.05 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xmq h ALA 84 Cb 0.40 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1xmq h ALA 84 CO 0.09 -0.64 0.00 -0.11 0.00 0.00 0.00 179.25 178.58 1xmq n LEU 85 N -5.12 0.16 0.13 0.00 7.94 -1.21 -1.72 117.00 117.18 1xmq n LEU 85 Ca 0.32 0.54 0.07 0.00 -1.11 0.00 0.00 56.01 55.83 1xmq n LEU 85 Cb 1.02 -0.52 0.03 0.00 0.53 0.00 0.00 43.42 44.47 1xmq n LEU 85 CO 0.07 -0.34 0.25 0.58 -1.11 0.00 0.00 177.39 176.84 1xmq h VAL 86 N 0.00 0.28 0.00 1.96 2.07 0.46 -3.25 116.25 117.77 1xmq h VAL 86 Ca 0.00 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.04 1xmq h VAL 86 Cb 0.26 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1xmq h VAL 86 CO 0.00 0.16 -0.09 1.56 0.02 0.00 0.00 177.57 179.22 1xmq h GLN 87 N 0.00 0.06 -1.01 1.57 4.20 -1.18 -2.08 115.11 116.67 1xmq h GLN 87 Ca -0.04 -0.07 0.29 0.00 0.06 0.00 0.00 58.65 58.89 1xmq h GLN 87 Cb 1.20 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.95 1xmq h GLN 87 CO 0.02 0.88 0.72 -0.92 -0.67 0.00 0.00 178.83 178.86 1xmq h TYR 88 N -0.74 0.10 -1.10 2.96 3.20 -1.64 -3.38 116.97 116.37 1xmq h TYR 88 Ca -0.01 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.00 1xmq h TYR 88 Cb 0.91 -0.03 -0.22 0.00 1.54 0.00 0.00 36.73 38.94 1xmq h TYR 88 CO 0.21 0.01 -0.01 1.21 -1.64 0.00 0.00 178.16 177.94 1xmq s ASN 89 N -5.43 -0.91 0.58 -2.11 2.47 -1.17 -5.02 114.94 103.34 1xmq s ASN 89 Ca -0.06 0.90 0.36 0.00 0.42 0.00 0.00 52.86 54.49 1xmq s ASN 89 Cb 0.22 1.90 1.60 0.00 -1.45 0.00 0.00 41.25 43.52 1xmq s ASN 89 CO 0.79 -0.17 2.07 1.55 -3.72 0.00 0.00 177.10 177.61 1xmq h PRO 90 N 7.85 0.00 0.00 0.43 0.13 -1.57 -2.14 132.00 136.70 1xmq h PRO 90 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1xmq h PRO 90 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1xmq h PRO 90 CO 0.10 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.62 1xmq n ASP 91 N -3.08 0.00 0.09 1.44 9.92 -1.26 -2.71 116.55 120.94 1xmq n ASP 91 Ca -0.00 -0.50 -0.01 0.00 -0.53 0.00 0.00 54.79 53.75 1xmq n ASP 91 Cb 0.25 -0.06 -0.05 0.00 -0.64 0.00 0.00 41.12 40.62 1xmq n ASP 91 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1xmq h TYR 92 N 0.00 0.00 0.34 1.24 0.99 -1.69 -3.35 116.97 114.50 1xmq h TYR 92 Ca 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1xmq h TYR 92 Cb 0.04 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 37.75 1xmq h TYR 92 CO 0.00 0.68 -0.33 0.00 -0.00 0.00 0.00 178.16 178.52 1xmq h ARG 93 N 0.00 -0.67 0.00 4.88 3.08 -1.72 -1.61 114.38 118.35 1xmq h ARG 93 Ca -0.06 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1xmq h ARG 93 Cb 1.57 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.77 1xmq h ARG 93 CO 0.08 -0.44 0.07 0.00 -1.07 0.00 0.00 179.97 178.60 1xmq n ALA 94 N -2.61 0.58 0.00 0.04 0.00 -1.26 -0.22 120.51 117.05 1xmq n ALA 94 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1xmq n ALA 94 Cb 0.34 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1xmq n ALA 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xmq n LYS 95 N -0.83 1.79 0.02 0.00 4.76 -0.65 -4.72 118.16 118.53 1xmq n LYS 95 Ca 0.00 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.55 1xmq n LYS 95 Cb 0.07 -0.97 -0.02 0.00 -1.84 0.00 0.00 35.03 32.26 1xmq n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1xmq n LEU 96 N -1.63 0.58 -0.06 -0.35 4.32 0.70 -4.28 117.00 116.27 1xmq n LEU 96 Ca 0.00 -0.05 -0.12 0.00 -0.02 0.00 0.00 56.01 55.82 1xmq n LEU 96 Cb 0.20 -0.07 -0.06 0.00 -1.62 0.00 0.00 43.42 41.87 1xmq n LEU 96 CO 0.00 0.05 0.68 0.50 -1.22 0.00 0.00 177.39 177.40 1xmq h LYS 97 N 0.00 0.35 -0.46 3.23 3.11 -1.43 -2.39 116.57 118.99 1xmq h LYS 97 Ca 0.00 -0.14 0.13 0.00 -2.81 0.00 0.00 60.65 57.83 1xmq h LYS 97 Cb 0.76 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.96 1xmq h LYS 97 CO 0.00 0.64 0.38 -1.35 -2.81 0.00 0.00 179.45 176.31 1xmq h PRO 98 N 0.04 0.00 -0.48 1.90 0.11 -1.83 0.59 132.00 132.33 1xmq h PRO 98 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1xmq h PRO 98 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1xmq h PRO 98 CO 0.02 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.09 1xmq n LEU 99 N -4.09 2.85 -0.67 2.35 7.99 -1.08 -4.93 117.00 119.42 1xmq n LEU 99 Ca 0.08 -1.38 -0.06 0.00 -0.01 0.00 0.00 56.01 54.64 1xmq n LEU 99 Cb 0.58 -0.32 -0.03 0.00 -0.11 0.00 0.00 43.42 43.54 1xmq n LEU 99 CO 0.33 0.69 -0.06 0.61 -1.51 0.00 0.00 177.39 177.45 1xmq n GLY 100 N 1.36 0.59 0.22 -0.72 0.00 0.20 -4.75 105.19 102.10 1xmq n GLY 100 Ca 0.18 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.35 1xmq n GLY 100 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xmq h PHE 101 N 0.00 0.00 0.00 1.61 0.05 -1.67 -1.50 116.94 115.44 1xmq h PHE 101 Ca -0.13 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.66 1xmq h PHE 101 Cb 0.71 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.66 1xmq h PHE 101 CO 0.37 0.00 -0.36 -0.07 -0.18 0.00 0.00 178.31 178.06 1xmq h LEU 102 N 0.00 0.00-10.25 1.54 3.38 -1.86 -3.43 115.31 104.69 1xmq h LEU 102 Ca 0.00 -0.07 -0.49 0.00 0.09 0.00 0.00 57.88 57.41 1xmq h LEU 102 Cb 0.06 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.86 1xmq h LEU 102 CO 0.00 0.03 0.39 -0.89 0.09 0.00 0.00 178.44 178.06 1xmq s THR 103 N -3.19 4.36 -0.44 0.22 2.01 -0.56 -5.03 115.64 113.00 1xmq s THR 103 Ca 0.07 0.99 -0.04 0.00 0.31 0.00 0.00 61.69 63.01 1xmq s THR 103 Cb 0.10 -3.65 0.12 0.00 0.01 0.00 0.00 72.50 69.08 1xmq s THR 103 CO 0.68 -0.79 0.26 -0.60 -0.69 0.00 0.00 174.62 173.49 1xmq s ARG 104 N -4.47 2.16 -0.88 4.92 3.00 -1.26 -4.99 118.95 117.43 1xmq s ARG 104 Ca 0.59 -1.87 -0.34 0.00 -1.00 0.00 0.00 55.73 53.11 1xmq s ARG 104 Cb -0.12 -3.68 -0.21 0.00 0.00 0.00 0.00 34.95 30.94 1xmq s ARG 104 CO 0.41 -1.11 2.56 -3.47 0.00 0.00 0.00 175.30 173.69 1xmq n ASP 105 N 4.57 0.39 0.19 -2.12 -0.08 -1.26 -4.77 116.55 113.47 1xmq n ASP 105 Ca -0.03 0.29 0.06 0.00 -1.51 0.00 0.00 54.79 53.61 1xmq n ASP 105 Cb 0.41 -0.91 0.29 0.00 2.34 0.00 0.00 41.12 43.25 1xmq n ASP 105 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xmq h ALA 106 N 11.26 0.91 -1.62 -1.67 0.00 -1.95 -3.38 119.26 122.80 1xmq h ALA 106 Ca -0.06 -0.31 -0.72 0.00 0.00 0.00 0.00 54.91 53.82 1xmq h ALA 106 Cb 1.33 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.08 1xmq h ALA 106 CO 1.31 0.43 0.87 0.54 0.00 0.00 0.00 179.25 182.40 1xmq n ARG 107 N -3.38 1.28 -3.93 0.00 1.74 -1.26 -4.95 116.66 106.16 1xmq n ARG 107 Ca 0.01 0.47 -0.09 0.00 -0.77 0.00 0.00 57.85 57.47 1xmq n ARG 107 Cb 0.54 -2.16 -0.09 0.00 -1.02 0.00 0.00 32.46 29.73 1xmq n ARG 107 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xmq s VAL 108 N 3.18 0.15 -0.39 1.55 1.01 -1.26 -4.42 120.40 120.22 1xmq s VAL 108 Ca 0.96 -1.24 -0.42 0.00 0.00 0.00 0.00 61.98 61.27 1xmq s VAL 108 Cb -1.01 -1.18 -0.17 0.00 0.00 0.00 0.00 36.38 34.02 1xmq s VAL 108 CO 0.61 -0.69 1.84 0.52 0.00 0.00 0.00 175.10 177.39 1xmq n VAL 109 N 0.34 0.15 -2.35 2.92 0.31 -1.26 -4.89 118.33 113.56 1xmq n VAL 109 Ca -0.17 -0.06 -0.39 0.00 -0.01 0.00 0.00 64.34 63.72 1xmq n VAL 109 Cb 0.60 -0.96 -0.03 0.00 -0.91 0.00 0.00 33.84 32.55 1xmq n VAL 109 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1xmq s GLU 110 N 4.23 4.23 0.41 5.55 2.12 -1.26 -4.98 118.70 129.01 1xmq s GLU 110 Ca 1.06 1.83 -0.25 0.00 0.36 0.00 0.00 54.97 57.97 1xmq s GLU 110 Cb -1.23 -2.81 -0.11 0.00 0.26 0.00 0.00 34.13 30.23 1xmq s GLU 110 CO 0.68 -0.16 1.04 -2.13 -0.54 0.00 0.00 175.26 174.14 1xmq n ARG 111 N 0.38 1.41 -3.06 4.30 0.00 -1.26 -4.91 116.66 113.52 1xmq n ARG 111 Ca 0.03 0.51 -0.45 0.00 -0.00 0.00 0.00 57.85 57.94 1xmq n ARG 111 Cb 0.46 -2.07 -0.04 0.00 0.00 0.00 0.00 32.46 30.82 1xmq n ARG 111 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1xmq s LYS 112 N -2.00 3.25 0.83 -0.14 2.36 -1.26 -4.39 119.74 118.39 1xmq s LYS 112 Ca 0.63 -1.51 -0.11 0.00 -2.55 0.00 0.00 55.97 52.43 1xmq s LYS 112 Cb -0.56 -4.43 0.09 0.00 -1.05 0.00 0.00 37.83 31.88 1xmq s LYS 112 CO 0.57 -1.60 1.14 0.15 1.55 0.00 0.00 175.35 177.15 1xmq s LYS 113 N 2.55 1.67 0.40 4.03 3.01 -1.26 -4.74 119.74 125.40 1xmq s LYS 113 Ca 0.19 1.45 -0.07 0.00 -1.01 0.00 0.00 55.97 56.52 1xmq s LYS 113 Cb -0.17 -1.81 -0.05 0.00 -1.01 0.00 0.00 37.83 34.79 1xmq s LYS 113 CO 0.01 -2.13 0.72 1.52 0.51 0.00 0.00 175.35 175.98 1xmq s TYR 114 N -2.62 3.50 0.00 3.18 -0.85 -1.26 -3.90 117.35 115.39 1xmq s TYR 114 Ca 0.66 0.87 0.00 0.00 -0.52 0.00 0.00 57.07 58.08 1xmq s TYR 114 Cb -0.22 -2.31 0.00 0.00 0.38 0.00 0.00 41.96 39.81 1xmq s TYR 114 CO 0.55 -0.08 0.00 0.41 -1.52 0.00 0.00 175.55 174.91 1xmq n GLY 115 N -1.48 2.01 3.87 5.49 0.00 -1.26 -4.96 105.19 108.85 1xmq n GLY 115 Ca 0.01 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 1xmq n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xmq s LYS 116 N 0.00 3.80 0.41 1.61 1.02 -1.25 -4.54 119.74 120.79 1xmq s LYS 116 Ca 0.00 0.24 0.07 0.00 0.02 0.00 0.00 55.97 56.29 1xmq s LYS 116 Cb 0.00 -2.92 0.84 0.00 -0.52 0.00 0.00 37.83 35.23 1xmq s LYS 116 CO 0.00 0.50 2.05 0.45 -0.92 0.00 0.00 175.35 177.44 1xmq h HIS 117 N 3.44 0.54 -0.33 3.18 3.86 -0.73 -3.38 115.15 121.72 1xmq h HIS 117 Ca -0.48 0.01 -0.27 0.00 -1.16 0.00 0.00 60.37 58.47 1xmq h HIS 117 Cb 1.19 -0.18 -0.21 0.00 1.06 0.00 0.00 27.41 29.27 1xmq h HIS 117 CO 0.65 0.34 -0.58 1.63 0.86 0.00 0.00 177.93 180.83 1xmq n LYS 118 N -4.47 1.10 0.00 2.45 5.02 -1.08 -4.97 118.16 116.21 1xmq n LYS 118 Ca 0.04 -2.20 0.00 0.00 -2.02 0.00 0.00 58.31 54.13 1xmq n LYS 118 Cb 0.06 -0.72 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 1xmq n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xmq n ALA 119 N -0.09 0.00 -0.05 7.82 0.00 -1.26 -3.97 120.51 122.96 1xmq n ALA 119 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.40 1xmq n ALA 119 Cb 0.77 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.18 1xmq n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xmq n ARG 120 N 0.00 0.21 -1.62 0.00 1.74 -1.26 -4.49 116.66 111.24 1xmq n ARG 120 Ca 0.00 0.07 -0.51 0.00 -0.77 0.00 0.00 57.85 56.64 1xmq n ARG 120 Cb 0.00 -0.99 -0.06 0.00 -1.02 0.00 0.00 32.46 30.39 1xmq n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1xmq n ARG 121 N -3.12 1.61 -4.13 5.56 0.00 -1.25 -4.84 116.66 110.50 1xmq n ARG 121 Ca -0.17 0.55 -0.33 0.00 -0.00 0.00 0.00 57.85 57.90 1xmq n ARG 121 Cb 0.65 -2.50 -0.07 0.00 0.00 0.00 0.00 32.46 30.53 1xmq n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xmq s ALA 122 N 5.17 3.53 0.77 5.13 0.00 -1.26 -0.02 121.76 135.08 1xmq s ALA 122 Ca 0.99 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 51.92 1xmq s ALA 122 Cb -0.81 -1.54 0.04 0.00 0.00 0.00 0.00 23.12 20.82 1xmq s ALA 122 CO 0.53 0.69 1.09 -0.35 0.00 0.00 0.00 175.76 177.72 1xmq n PRO 123 N 1.19 0.37 -3.58 0.00 -0.04 -1.26 -4.84 135.00 126.85 1xmq n PRO 123 Ca -0.13 0.19 -0.30 0.00 -0.04 0.00 0.00 63.50 63.22 1xmq n PRO 123 Cb 0.53 -2.34 -0.04 0.00 -0.04 0.00 0.00 33.50 31.60 1xmq n PRO 123 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1xmq s GLN 124 N -3.73 3.62 0.27 0.54 -2.07 -1.26 -5.07 119.66 111.96 1xmq s GLN 124 Ca 0.74 -0.09 0.05 0.00 -1.82 0.00 0.00 55.36 54.24 1xmq s GLN 124 Cb -0.32 -2.78 -0.06 0.00 -1.09 0.00 0.00 33.01 28.77 1xmq s GLN 124 CO 0.50 0.38 -0.03 1.52 -1.32 0.00 0.00 175.29 176.35 1xmq s TYR 125 N -1.82 1.81 0.03 9.60 -0.85 -1.26 -5.16 117.35 119.70 1xmq s TYR 125 Ca 0.42 -0.80 0.00 0.00 -0.52 0.00 0.00 57.07 56.17 1xmq s TYR 125 Cb -0.11 -1.06 0.00 0.00 0.38 0.00 0.00 41.96 41.17 1xmq s TYR 125 CO 0.26 0.14 0.03 -1.13 -1.52 0.00 0.00 175.55 173.33 1xmq n SER 126 N -0.54 0.96 -1.06 -0.18 3.41 -1.26 -4.95 113.62 110.00 1xmq n SER 126 Ca -0.05 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.46 1xmq n SER 126 Cb 0.64 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1xmq n SER 126 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xmq n LYS 127 N -0.64 -0.22 0.00 4.33 4.01 -1.26 -5.34 118.16 119.03 1xmq n LYS 127 Ca 0.00 0.28 0.00 0.00 -0.51 0.00 0.00 58.31 58.08 1xmq n LYS 127 Cb 0.03 -0.25 0.00 0.00 -0.51 0.00 0.00 35.03 34.30 1xmq n LYS 127 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16