#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hx5 h PRO 3 N 0.00 0.00 -0.43 1.20 0.13 -2.01 -0.23 132.00 130.66 2hx5 h PRO 3 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.26 2hx5 h PRO 3 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2hx5 h PRO 3 CO 0.00 0.00 0.34 0.93 -0.23 0.00 0.00 178.00 179.04 2hx5 h GLU 4 N 0.00 0.00 -0.29 0.86 5.08 -1.96 0.44 114.58 118.71 2hx5 h GLU 4 Ca 0.19 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 2hx5 h GLU 4 Cb 1.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 2hx5 h GLU 4 CO -0.00 0.00 0.20 -0.91 -1.00 0.00 0.00 179.01 177.29 2hx5 h ASN 5 N 0.00 0.24 -0.00 1.42 -0.26 -1.34 -1.75 115.58 113.90 2hx5 h ASN 5 Ca 0.21 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 2hx5 h ASN 5 Cb 0.88 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 38.09 2hx5 h ASN 5 CO -0.00 0.17 -0.21 -2.67 -1.06 0.00 0.00 177.43 173.66 2hx5 n TRP 6 N -4.49 0.00 0.40 1.19 2.14 -0.25 -4.69 117.44 111.74 2hx5 n TRP 6 Ca 0.02 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.67 2hx5 n TRP 6 Cb 0.16 0.00 -0.11 0.00 -0.81 0.00 0.00 31.31 30.54 2hx5 n TRP 6 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 2hx5 n LEU 7 N -0.74 0.40 -4.26 5.67 4.77 -0.02 -4.37 117.00 118.46 2hx5 n LEU 7 Ca 0.02 -0.26 -0.37 0.00 -0.03 0.00 0.00 56.01 55.37 2hx5 n LEU 7 Cb 0.11 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.08 2hx5 n LEU 7 CO 0.10 0.10 -0.29 -0.76 -1.33 0.00 0.00 177.39 175.21 2hx5 s LEU 8 N -3.46 4.11 0.34 2.23 1.43 -0.67 -0.80 118.68 121.87 2hx5 s LEU 8 Ca 0.00 -1.11 0.04 0.00 -1.03 0.00 0.00 54.13 52.03 2hx5 s LEU 8 Cb 0.12 -1.82 -0.06 0.00 0.03 0.00 0.00 46.19 44.45 2hx5 s LEU 8 CO 0.69 -0.29 0.06 -0.76 0.23 0.00 0.00 176.35 176.29 2hx5 s LEU 9 N 1.38 2.19 0.01 1.79 1.43 -1.26 -4.80 118.68 119.42 2hx5 s LEU 9 Ca -0.02 -1.41 0.00 0.00 -1.03 0.00 0.00 54.13 51.67 2hx5 s LEU 9 Cb -0.19 -0.38 -0.01 0.00 0.03 0.00 0.00 46.19 45.64 2hx5 s LEU 9 CO 0.02 -0.64 -0.02 -0.60 0.23 0.00 0.00 176.35 175.33 2hx5 s ARG 10 N -3.87 0.18 0.12 1.70 3.52 -1.26 -4.50 118.95 114.84 2hx5 s ARG 10 Ca 0.34 -0.27 -0.14 0.00 -0.13 0.00 0.00 55.73 55.54 2hx5 s ARG 10 Cb 0.08 -0.02 0.02 0.00 -1.56 0.00 0.00 34.95 33.47 2hx5 s ARG 10 CO 0.15 -0.00 0.34 -0.98 -0.81 0.00 0.00 175.30 174.00 2hx5 s ARG 11 N -0.60 1.02 -0.13 5.12 1.70 -0.57 -5.01 118.95 120.48 2hx5 s ARG 11 Ca -0.06 -0.80 -0.01 0.00 -0.47 0.00 0.00 55.73 54.39 2hx5 s ARG 11 Cb -0.04 0.43 -0.02 0.00 -0.57 0.00 0.00 34.95 34.75 2hx5 s ARG 11 CO -0.00 -0.38 -0.10 0.08 -1.08 0.00 0.00 175.30 173.82 2hx5 s VAL 12 N -3.83 3.36 0.10 4.99 1.01 -1.26 0.18 120.40 124.96 2hx5 s VAL 12 Ca 0.04 -0.55 -0.31 0.00 0.00 0.00 0.00 61.98 61.16 2hx5 s VAL 12 Cb 0.03 -2.43 -0.08 0.00 0.00 0.00 0.00 36.38 33.89 2hx5 s VAL 12 CO -0.11 0.52 1.44 -0.69 0.00 0.00 0.00 175.10 176.26 2hx5 s VAL 13 N 0.29 3.23 0.30 2.92 1.01 -0.23 -4.93 120.40 122.99 2hx5 s VAL 13 Ca -0.07 0.84 0.08 0.00 0.00 0.00 0.00 61.98 62.83 2hx5 s VAL 13 Cb -0.15 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2hx5 s VAL 13 CO 0.05 0.05 0.18 -0.13 0.00 0.00 0.00 175.10 175.24 2hx5 s ARG 14 N 1.40 2.64 0.20 2.72 1.81 -1.26 -0.35 118.95 126.10 2hx5 s ARG 14 Ca 0.66 -1.29 -0.11 0.00 -1.72 0.00 0.00 55.73 53.27 2hx5 s ARG 14 Cb -0.37 -2.38 0.17 0.00 -0.45 0.00 0.00 34.95 31.91 2hx5 s ARG 14 CO 0.30 0.25 1.83 0.35 -0.68 0.00 0.00 175.30 177.34 2hx5 h PHE 15 N 1.51 0.70 0.00 -0.53 3.57 -1.97 -1.01 116.94 119.21 2hx5 h PHE 15 Ca -0.46 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2hx5 h PHE 15 Cb 1.25 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.76 2hx5 h PHE 15 CO 0.59 0.38 0.00 0.41 -2.23 0.00 0.00 178.31 177.46 2hx5 n GLY 16 N -1.27 -0.94 0.02 2.40 0.00 -1.26 -1.97 105.19 102.16 2hx5 n GLY 16 Ca 0.06 0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.27 2hx5 n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hx5 n ASP 17 N -1.83 0.12 -4.90 1.61 8.00 -0.38 -4.90 116.55 114.27 2hx5 n ASP 17 Ca 0.01 -0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.28 2hx5 n ASP 17 Cb 0.12 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.91 2hx5 n ASP 17 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2hx5 s THR 18 N -2.74 4.94 0.38 -3.53 -4.23 -0.83 -0.89 115.64 108.74 2hx5 s THR 18 Ca 0.22 -1.06 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 2hx5 s THR 18 Cb 0.20 -3.63 0.01 0.00 1.34 0.00 0.00 72.50 70.41 2hx5 s THR 18 CO 0.51 -0.26 0.10 -0.90 -0.54 0.00 0.00 174.62 173.52 2hx5 n ASP 19 N -1.05 2.78 0.00 3.99 5.68 -0.50 -4.68 116.55 122.77 2hx5 n ASP 19 Ca -0.08 -2.54 0.08 0.00 -0.50 0.00 0.00 54.79 51.75 2hx5 n ASP 19 Cb 0.56 0.16 0.41 0.00 -1.14 0.00 0.00 41.12 41.11 2hx5 n ASP 19 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2hx5 n ALA 20 N -1.94 1.89 0.87 2.12 0.00 -1.26 -0.99 120.51 121.20 2hx5 n ALA 20 Ca -0.14 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.33 2hx5 n ALA 20 Cb 0.46 -1.26 0.52 0.00 0.00 0.00 0.00 19.45 19.17 2hx5 n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hx5 n ALA 21 N -1.28 2.09 -0.63 0.00 0.00 -1.26 -4.91 120.51 114.52 2hx5 n ALA 21 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2hx5 n ALA 21 Cb 0.12 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2hx5 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hx5 n GLY 22 N 0.81 0.62 0.00 0.00 0.00 -0.16 -5.20 105.19 101.26 2hx5 n GLY 22 Ca 0.07 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2hx5 n GLY 22 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hx5 n VAL 23 N -2.63 0.00 -4.88 1.61 0.24 -1.25 -4.75 118.33 106.66 2hx5 n VAL 23 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.03 2hx5 n VAL 23 Cb 0.00 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.21 2hx5 n VAL 23 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2hx5 s HIS 25 N 0.00 1.88 0.23 6.34 2.46 -0.07 -1.41 115.29 124.73 2hx5 s HIS 25 Ca 0.00 -0.64 -0.06 0.00 0.47 0.00 0.00 55.06 54.83 2hx5 s HIS 25 Cb 0.00 -1.29 0.41 0.00 -0.13 0.00 0.00 32.58 31.57 2hx5 s HIS 25 CO 0.00 -0.25 1.73 0.27 -2.47 0.00 0.00 174.74 174.01 2hx5 h PHE 26 N 6.53 0.44 0.00 3.88 -0.00 -2.01 -1.71 116.94 124.07 2hx5 h PHE 26 Ca -0.29 0.04 0.00 0.00 -0.00 0.00 0.00 57.97 57.71 2hx5 h PHE 26 Cb 1.19 -0.09 0.00 0.00 -0.00 0.00 0.00 35.95 37.05 2hx5 h PHE 26 CO 0.46 0.05 0.00 -2.39 -0.00 0.00 0.00 178.31 176.43 2hx5 n HIS 27 N -5.02 0.86 0.21 6.09 1.44 -1.26 -2.27 115.22 115.26 2hx5 n HIS 27 Ca 0.13 0.32 0.11 0.00 -2.01 0.00 0.00 57.72 56.27 2hx5 n HIS 27 Cb 0.38 -1.01 0.68 0.00 0.12 0.00 0.00 29.99 30.15 2hx5 n HIS 27 CO 0.00 0.00 0.00 1.96 -2.81 0.00 0.00 176.34 175.49 2hx5 h GLN 28 N 0.00 0.00 -0.94 -1.40 1.08 -1.66 -1.86 115.11 110.32 2hx5 h GLN 28 Ca 0.00 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.32 2hx5 h GLN 28 Cb 0.45 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.79 2hx5 h GLN 28 CO 0.00 0.00 0.57 1.25 -0.95 0.00 0.00 178.83 179.70 2hx5 h LEU 29 N 0.00 0.81 -0.63 1.46 5.85 -1.63 -1.17 115.31 120.00 2hx5 h LEU 29 Ca 0.06 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 2hx5 h LEU 29 Cb 0.23 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2hx5 h LEU 29 CO -0.00 0.41 -0.25 -0.26 -0.34 0.00 0.00 178.44 178.00 2hx5 h PHE 30 N 0.88 0.94 -0.52 1.25 0.04 -1.55 -1.08 116.94 116.89 2hx5 h PHE 30 Ca 0.48 -0.23 0.02 0.00 2.80 0.00 0.00 57.97 61.04 2hx5 h PHE 30 Cb 0.52 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.42 2hx5 h PHE 30 CO -0.03 0.98 0.32 -0.09 -0.60 0.00 0.00 178.31 178.89 2hx5 h ARG 31 N 0.71 0.62 -1.00 1.51 2.43 -1.43 -1.42 114.38 115.80 2hx5 h ARG 31 Ca 0.09 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2hx5 h ARG 31 Cb 0.78 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 2hx5 h ARG 31 CO 0.06 0.41 0.65 -1.49 -1.51 0.00 0.00 179.97 178.09 2hx5 h TRP 32 N 0.64 1.26 -0.06 2.20 6.55 -0.93 0.28 115.95 125.90 2hx5 h TRP 32 Ca 0.21 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 60.07 2hx5 h TRP 32 Cb 0.01 -0.43 -0.00 0.00 -0.86 0.00 0.00 29.16 27.88 2hx5 h TRP 32 CO -0.06 0.80 0.04 0.00 -1.05 0.00 0.00 178.44 178.17 2hx5 h HIS 34 N 0.05 0.61 -0.61 0.00 -0.00 -0.91 -0.41 115.15 113.88 2hx5 h HIS 34 Ca 0.02 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 2hx5 h HIS 34 Cb 0.03 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.22 2hx5 h HIS 34 CO -0.06 0.47 0.21 0.93 -0.00 0.00 0.00 177.93 179.48 2hx5 h GLU 35 N 0.56 0.91 -0.70 5.26 5.08 -0.89 -1.31 114.58 123.49 2hx5 h GLU 35 Ca 0.15 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2hx5 h GLU 35 Cb 0.08 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2hx5 h GLU 35 CO -0.02 0.76 0.26 0.77 -1.00 0.00 0.00 179.01 179.79 2hx5 h SER 36 N 0.89 0.97 -0.25 1.42 0.02 -0.23 -0.20 113.55 116.16 2hx5 h SER 36 Ca 0.20 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2hx5 h SER 36 Cb 0.22 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2hx5 h SER 36 CO -0.01 0.87 0.13 -0.25 -1.14 0.00 0.00 176.83 176.43 2hx5 h TRP 37 N 1.02 0.36 -0.43 3.45 7.01 -0.61 0.17 115.95 126.93 2hx5 h TRP 37 Ca 0.23 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.25 2hx5 h TRP 37 Cb 0.22 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.14 2hx5 h TRP 37 CO 0.02 0.32 0.24 0.93 -2.79 0.00 0.00 178.44 177.15 2hx5 h GLU 38 N 0.29 0.46 -1.01 2.65 5.08 -1.00 -1.42 114.58 119.64 2hx5 h GLU 38 Ca 0.09 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 2hx5 h GLU 38 Cb 0.08 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 2hx5 h GLU 38 CO -0.01 0.30 0.66 1.49 -1.00 0.00 0.00 179.01 180.45 2hx5 h GLU 39 N 0.47 1.20 -0.55 2.33 4.81 -0.64 -1.63 114.58 120.57 2hx5 h GLU 39 Ca 0.18 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2hx5 h GLU 39 Cb 0.05 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 2hx5 h GLU 39 CO -0.10 0.79 0.21 1.03 -0.73 0.00 0.00 179.01 180.22 2hx5 h SER 40 N 1.23 0.76 -0.50 1.04 0.87 -0.12 0.46 113.55 117.29 2hx5 h SER 40 Ca 0.42 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 2hx5 h SER 40 Cb 0.08 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 2hx5 h SER 40 CO -0.15 0.73 0.19 -0.07 -0.53 0.00 0.00 176.83 177.00 2hx5 h LEU 41 N 0.75 0.71 -0.12 2.23 3.38 -1.00 -0.83 115.31 120.42 2hx5 h LEU 41 Ca 0.18 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2hx5 h LEU 41 Cb 0.21 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2hx5 h LEU 41 CO -0.01 0.70 0.01 -0.08 0.09 0.00 0.00 178.44 179.14 2hx5 h GLU 42 N 0.68 0.06 -0.63 1.13 4.81 -1.10 -1.18 114.58 118.34 2hx5 h GLU 42 Ca 0.17 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2hx5 h GLU 42 Cb 0.22 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 2hx5 h GLU 42 CO -0.01 0.04 0.41 0.77 -0.73 0.00 0.00 179.01 179.48 2hx5 h SER 43 N 0.06 0.74 -0.14 1.04 0.02 -0.68 -1.83 113.55 112.76 2hx5 h SER 43 Ca 0.05 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2hx5 h SER 43 Cb 0.06 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2hx5 h SER 43 CO -0.08 0.56 0.07 0.22 -1.14 0.00 0.00 176.83 176.45 2hx5 h TYR 44 N 0.86 0.22 0.00 3.45 3.20 -1.02 -3.47 116.97 120.22 2hx5 h TYR 44 Ca 0.23 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2hx5 h TYR 44 Cb -0.07 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.13 2hx5 h TYR 44 CO -0.02 0.18 0.00 0.41 -1.64 0.00 0.00 178.16 177.09 2hx5 n GLY 45 N -1.39 1.19 3.84 1.82 0.00 -0.69 -5.11 105.19 104.85 2hx5 n GLY 45 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2hx5 n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hx5 s LEU 46 N 0.00 3.57 -0.22 0.99 1.43 -0.50 -5.00 118.68 118.95 2hx5 s LEU 46 Ca 0.00 1.60 -0.12 0.00 -1.03 0.00 0.00 54.13 54.59 2hx5 s LEU 46 Cb 0.00 -4.51 -0.05 0.00 0.03 0.00 0.00 46.19 41.66 2hx5 s LEU 46 CO 0.00 -0.71 0.21 0.21 0.23 0.00 0.00 176.35 176.29 2hx5 s ASN 47 N -3.09 6.21 0.35 2.29 3.84 -1.26 -4.38 114.94 118.90 2hx5 s ASN 47 Ca 0.59 0.23 0.10 0.00 0.21 0.00 0.00 52.86 53.99 2hx5 s ASN 47 Cb -0.11 -2.13 0.85 0.00 -0.55 0.00 0.00 41.25 39.31 2hx5 s ASN 47 CO 0.34 0.05 1.83 1.55 -2.79 0.00 0.00 177.10 178.07 2hx5 h PRO 48 N 7.36 0.64 -0.24 0.43 0.13 -1.96 -1.30 132.00 137.05 2hx5 h PRO 48 Ca -0.38 -0.04 0.07 0.00 -0.87 0.00 0.00 66.00 64.78 2hx5 h PRO 48 Cb 1.17 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 2hx5 h PRO 48 CO 0.68 0.42 0.24 0.00 -0.23 0.00 0.00 178.00 179.11 2hx5 h ALA 49 N 1.61 1.94 0.00 -0.56 0.00 -1.94 0.97 119.26 121.29 2hx5 h ALA 49 Ca 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2hx5 h ALA 49 Cb 0.91 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2hx5 h ALA 49 CO -0.26 -0.36 -0.45 -0.44 0.00 0.00 0.00 179.25 177.74 2hx5 h ASP 50 N 0.00 0.00 0.00 0.00 3.32 -1.62 -3.41 116.42 114.71 2hx5 h ASP 50 Ca 0.11 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 2hx5 h ASP 50 Cb 0.58 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 2hx5 h ASP 50 CO -0.00 0.07 -1.38 -0.38 -1.72 0.00 0.00 179.24 175.82 2hx5 n ILE 51 N -2.25 0.38 -4.50 0.35 2.08 -0.47 -4.78 119.36 110.17 2hx5 n ILE 51 Ca 0.04 -0.11 -0.33 0.00 0.56 0.00 0.00 62.75 62.90 2hx5 n ILE 51 Cb 0.45 -1.35 -0.13 0.00 -0.75 0.00 0.00 39.64 37.86 2hx5 n ILE 51 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 2hx5 s PHE 52 N -2.13 2.95 0.89 1.39 0.08 0.21 -4.86 117.98 116.52 2hx5 s PHE 52 Ca -0.09 -0.44 -0.11 0.00 0.12 0.00 0.00 56.93 56.41 2hx5 s PHE 52 Cb 0.03 -1.93 0.13 0.00 -0.57 0.00 0.00 43.02 40.68 2hx5 s PHE 52 CO 0.13 -0.11 1.11 -1.25 -0.10 0.00 0.00 175.22 174.99 2hx5 s PRO 53 N 0.41 1.26 0.00 0.24 0.04 -1.26 -3.68 135.00 132.01 2hx5 s PRO 53 Ca -0.06 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.24 2hx5 s PRO 53 Cb -0.15 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2hx5 s PRO 53 CO 0.04 -2.37 0.00 0.41 0.04 0.00 0.00 177.00 175.12 2hx5 n GLY 54 N -0.39 0.73 3.86 0.56 0.00 -1.26 -5.04 105.19 103.66 2hx5 n GLY 54 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2hx5 n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hx5 s SER 55 N -2.41 6.64 0.18 1.61 0.01 -1.24 -4.98 113.70 113.51 2hx5 s SER 55 Ca 0.00 1.20 -0.08 0.00 1.31 0.00 0.00 55.95 58.38 2hx5 s SER 55 Cb 0.00 -2.34 0.08 0.00 0.21 0.00 0.00 66.02 63.97 2hx5 s SER 55 CO 0.00 -0.30 1.59 -0.09 0.41 0.00 0.00 173.24 174.85 2hx5 h ARG 56 N 1.75 0.92 -0.45 12.44 2.43 -1.96 -3.33 114.38 126.19 2hx5 h ARG 56 Ca -0.47 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.32 2hx5 h ARG 56 Cb 1.18 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2hx5 h ARG 56 CO 0.65 1.04 0.00 1.63 -1.51 0.00 0.00 179.97 181.77 2hx5 n LYS 57 N -4.11 3.14 -1.96 0.20 5.02 -1.26 -4.97 118.16 114.22 2hx5 n LYS 57 Ca 0.00 -2.53 -0.42 0.00 -2.02 0.00 0.00 58.31 53.34 2hx5 n LYS 57 Cb 0.44 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 2hx5 n LYS 57 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2hx5 s SER 58 N -1.19 6.61 0.10 4.39 0.01 -1.25 -4.90 113.70 117.46 2hx5 s SER 58 Ca 0.38 2.61 -0.06 0.00 1.31 0.00 0.00 55.95 60.18 2hx5 s SER 58 Cb 0.24 -2.60 -0.17 0.00 0.21 0.00 0.00 66.02 63.71 2hx5 s SER 58 CO 0.18 -0.80 1.23 -0.33 0.41 0.00 0.00 173.24 173.93 2hx5 h GLU 59 N 6.60 0.42 -4.51 12.44 5.08 -1.93 -3.46 114.58 129.22 2hx5 h GLU 59 Ca -0.43 -0.52 -0.20 0.00 -1.00 0.00 0.00 59.36 57.21 2hx5 h GLU 59 Cb 1.21 0.16 -0.15 0.00 0.50 0.00 0.00 28.75 30.47 2hx5 h GLU 59 CO 0.90 1.18 -0.67 0.14 -1.00 0.00 0.00 179.01 179.56 2hx5 s VAL 60 N -3.09 0.39 0.33 3.13 -7.23 -1.26 -5.13 120.40 107.54 2hx5 s VAL 60 Ca -0.06 -1.91 -0.28 0.00 -1.81 0.00 0.00 61.98 57.92 2hx5 s VAL 60 Cb 0.08 -1.85 -0.10 0.00 0.56 0.00 0.00 36.38 35.07 2hx5 s VAL 60 CO 0.88 -0.69 1.28 0.42 -0.31 0.00 0.00 175.10 176.68 2hx5 s THR 61 N -3.83 2.80 0.33 5.32 -4.23 -1.26 -4.89 115.64 109.87 2hx5 s THR 61 Ca 0.17 0.79 -0.28 0.00 -1.18 0.00 0.00 61.69 61.19 2hx5 s THR 61 Cb 0.07 -3.50 -0.13 0.00 1.34 0.00 0.00 72.50 70.28 2hx5 s THR 61 CO -0.02 0.18 1.22 -2.65 -0.54 0.00 0.00 174.62 172.81 2hx5 n PRO 62 N 0.76 1.94 0.15 3.99 -0.02 -1.26 -4.88 135.00 135.69 2hx5 n PRO 62 Ca 0.00 0.68 0.06 0.00 -2.02 0.00 0.00 63.50 62.22 2hx5 n PRO 62 Cb 0.42 -2.21 0.06 0.00 -0.02 0.00 0.00 33.50 31.75 2hx5 n PRO 62 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2hx5 h GLU 63 N 2.40 0.00 -5.16 -0.52 5.08 -1.90 -3.44 114.58 111.04 2hx5 h GLU 63 Ca -0.45 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.26 2hx5 h GLU 63 Cb 1.30 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.28 2hx5 h GLU 63 CO 0.62 0.28 -0.73 0.08 -1.00 0.00 0.00 179.01 178.26 2hx5 s VAL 64 N -3.07 3.35 0.19 3.13 1.01 -1.26 -0.79 120.40 122.96 2hx5 s VAL 64 Ca 0.04 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 2hx5 s VAL 64 Cb 0.07 -2.47 -0.06 0.00 0.00 0.00 0.00 36.38 33.92 2hx5 s VAL 64 CO 0.73 0.47 0.45 0.00 0.00 0.00 0.00 175.10 176.75 2hx5 s ALA 65 N 0.90 3.70 -0.51 5.51 0.00 0.55 -4.83 121.76 127.08 2hx5 s ALA 65 Ca -0.01 -0.49 0.07 0.00 0.00 0.00 0.00 51.96 51.52 2hx5 s ALA 65 Cb -0.15 -2.24 0.36 0.00 0.00 0.00 0.00 23.12 21.10 2hx5 s ALA 65 CO 0.01 0.55 0.94 1.28 0.00 0.00 0.00 175.76 178.54 2hx5 n LEU 66 N -0.16 3.83 -4.77 0.00 4.77 -1.26 -1.53 117.00 117.88 2hx5 n LEU 66 Ca -0.02 -5.43 -0.40 0.00 -0.03 0.00 0.00 56.01 50.14 2hx5 n LEU 66 Cb 0.52 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 2hx5 n LEU 66 CO 0.47 2.30 1.08 -2.16 -1.33 0.00 0.00 177.39 177.76 2hx5 s PRO 67 N -3.31 3.66 -0.13 3.23 0.04 -1.11 -4.61 135.00 132.78 2hx5 s PRO 67 Ca 0.47 2.45 -0.29 0.00 0.04 0.00 0.00 61.00 63.66 2hx5 s PRO 67 Cb 0.32 -2.65 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 2hx5 s PRO 67 CO -0.13 -0.85 1.17 0.42 0.04 0.00 0.00 177.00 177.65 2hx5 s ILE 68 N -1.19 4.41 -0.14 0.56 1.01 -1.26 -1.42 121.20 123.17 2hx5 s ILE 68 Ca 0.61 1.71 0.19 0.00 0.00 0.00 0.00 60.65 63.17 2hx5 s ILE 68 Cb -0.44 -4.10 -0.28 0.00 0.01 0.00 0.00 42.46 37.64 2hx5 s ILE 68 CO 0.57 -0.08 0.46 2.30 0.00 0.00 0.00 174.94 178.20 2hx5 n ILE 69 N 4.98 0.00 -3.66 2.92 -5.35 -0.16 -4.98 119.36 113.12 2hx5 n ILE 69 Ca 0.12 -0.38 -0.14 0.00 -0.27 0.00 0.00 62.75 62.07 2hx5 n ILE 69 Cb 0.46 0.19 -0.08 0.00 -1.74 0.00 0.00 39.64 38.47 2hx5 n ILE 69 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2hx5 s HIS 70 N -3.24 -0.62 0.08 4.28 5.04 -1.21 -5.03 115.29 114.59 2hx5 s HIS 70 Ca -0.05 1.45 -0.15 0.00 -1.54 0.00 0.00 55.06 54.77 2hx5 s HIS 70 Cb 0.12 0.24 0.03 0.00 0.04 0.00 0.00 32.58 33.01 2hx5 s HIS 70 CO 0.78 -0.36 0.36 0.00 -2.34 0.00 0.00 174.74 173.18 2hx5 s GLN 72 N -3.21 1.23 -0.04 0.00 -2.07 -0.49 -5.00 119.66 110.09 2hx5 s GLN 72 Ca -0.01 -0.66 -0.17 0.00 -1.82 0.00 0.00 55.36 52.71 2hx5 s GLN 72 Cb 0.01 0.53 0.03 0.00 -1.09 0.00 0.00 33.01 32.49 2hx5 s GLN 72 CO -0.08 -0.52 0.38 0.00 -1.32 0.00 0.00 175.29 173.75 2hx5 s ALA 73 N -3.80 -0.96 -0.07 2.60 0.00 -1.26 -1.01 121.76 117.25 2hx5 s ALA 73 Ca 0.04 0.59 0.04 0.00 0.00 0.00 0.00 51.96 52.62 2hx5 s ALA 73 Cb -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 2hx5 s ALA 73 CO -0.10 -0.27 -0.19 -0.51 0.00 0.00 0.00 175.76 174.70 2hx5 s ASP 74 N -1.10 3.61 -0.25 0.00 1.11 -0.22 -5.00 116.67 114.82 2hx5 s ASP 74 Ca -0.11 -0.36 -0.04 0.00 0.18 0.00 0.00 52.55 52.22 2hx5 s ASP 74 Cb -0.04 -0.99 0.01 0.00 1.07 0.00 0.00 42.92 42.97 2hx5 s ASP 74 CO 0.05 0.27 -0.02 -0.36 1.18 0.00 0.00 175.17 176.28 2hx5 s PHE 75 N -0.27 3.03 -0.14 4.23 0.40 -1.26 -1.75 117.98 122.23 2hx5 s PHE 75 Ca 0.01 -1.17 0.01 0.00 -0.60 0.00 0.00 56.93 55.17 2hx5 s PHE 75 Cb -0.13 -2.12 -0.09 0.00 0.51 0.00 0.00 43.02 41.19 2hx5 s PHE 75 CO 0.03 -0.62 -0.13 0.54 0.70 0.00 0.00 175.22 175.74 2hx5 n ARG 76 N 4.76 0.35 -4.15 0.44 5.12 0.36 -4.99 116.66 118.55 2hx5 n ARG 76 Ca -0.17 0.08 -0.16 0.00 -1.93 0.00 0.00 57.85 55.68 2hx5 n ARG 76 Cb 0.49 -1.27 -0.13 0.00 -1.16 0.00 0.00 32.46 30.39 2hx5 n ARG 76 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2hx5 s ARG 77 N -2.28 0.62 0.52 5.56 0.52 -0.43 -5.02 118.95 118.43 2hx5 s ARG 77 Ca -0.19 -0.65 -0.23 0.00 -0.52 0.00 0.00 55.73 54.15 2hx5 s ARG 77 Cb 0.05 -0.50 -0.06 0.00 0.52 0.00 0.00 34.95 34.96 2hx5 s ARG 77 CO 0.32 0.11 1.34 -1.25 0.02 0.00 0.00 175.30 175.85 2hx5 s PRO 78 N -1.17 3.33 -0.09 3.54 0.04 -1.26 -4.74 135.00 134.65 2hx5 s PRO 78 Ca -0.04 2.20 0.05 0.00 0.04 0.00 0.00 61.00 63.24 2hx5 s PRO 78 Cb -0.08 -2.36 -0.00 0.00 0.04 0.00 0.00 34.50 32.10 2hx5 s PRO 78 CO 0.01 -1.03 -0.24 0.42 0.04 0.00 0.00 177.00 176.20 2hx5 s ILE 79 N -1.32 2.04 0.24 0.56 1.01 -1.26 -5.05 121.20 117.41 2hx5 s ILE 79 Ca 0.68 -1.02 0.12 0.00 0.00 0.00 0.00 60.65 60.43 2hx5 s ILE 79 Cb -0.39 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 2hx5 s ILE 79 CO 0.47 0.56 -0.21 -1.00 0.00 0.00 0.00 174.94 174.76 2hx5 s HIS 80 N 0.20 2.32 0.12 3.97 3.76 -1.26 -4.50 115.29 119.89 2hx5 s HIS 80 Ca -0.14 -0.34 -0.34 0.00 -0.15 0.00 0.00 55.06 54.09 2hx5 s HIS 80 Cb -0.17 -1.08 -0.17 0.00 1.11 0.00 0.00 32.58 32.27 2hx5 s HIS 80 CO 0.07 0.61 1.02 2.41 -0.85 0.00 0.00 174.74 178.00 2hx5 n THR 81 N -0.20 0.76 -0.25 1.30 -1.04 -1.26 -1.46 114.28 112.14 2hx5 n THR 81 Ca -0.09 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 2hx5 n THR 81 Cb 0.58 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 2hx5 n THR 81 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2hx5 n GLY 82 N 1.88 2.32 3.73 3.41 0.00 0.52 -4.97 105.19 112.08 2hx5 n GLY 82 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2hx5 n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hx5 n ASP 83 N 0.00 3.67 -4.60 1.61 8.00 -0.53 -4.69 116.55 120.00 2hx5 n ASP 83 Ca 0.00 1.13 -0.41 0.00 0.71 0.00 0.00 54.79 56.22 2hx5 n ASP 83 Cb 0.00 -1.56 -0.06 0.00 -0.02 0.00 0.00 41.12 39.48 2hx5 n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hx5 s ALA 84 N 0.21 3.54 -0.15 2.24 0.00 -1.26 -1.07 121.76 125.27 2hx5 s ALA 84 Ca 0.67 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 2hx5 s ALA 84 Cb -0.53 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 2hx5 s ALA 84 CO 0.46 -1.03 -0.00 -0.51 0.00 0.00 0.00 175.76 174.67 2hx5 s LEU 85 N 2.60 3.46 0.00 0.00 1.43 0.13 -4.57 118.68 121.73 2hx5 s LEU 85 Ca 0.26 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 2hx5 s LEU 85 Cb -0.15 -1.84 0.12 0.00 0.03 0.00 0.00 46.19 44.36 2hx5 s LEU 85 CO 0.11 0.21 0.88 0.00 0.23 0.00 0.00 176.35 177.78 2hx5 n ALA 86 N 3.26 0.38 -3.53 4.21 0.00 -0.07 -1.51 120.51 123.24 2hx5 n ALA 86 Ca -0.17 -1.82 0.01 0.00 0.00 0.00 0.00 53.44 51.45 2hx5 n ALA 86 Cb 0.53 0.34 -0.06 0.00 0.00 0.00 0.00 19.45 20.26 2hx5 n ALA 86 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2hx5 s GLU 88 N -4.79 0.17 -0.11 0.00 2.12 -0.33 -0.68 118.70 115.07 2hx5 s GLU 88 Ca 0.60 0.32 -0.04 0.00 0.36 0.00 0.00 54.97 56.21 2hx5 s GLU 88 Cb -0.04 0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.41 2hx5 s GLU 88 CO 0.39 -0.04 0.03 -0.51 -0.54 0.00 0.00 175.26 174.59 2hx5 s LEU 89 N 1.49 3.71 -0.35 2.70 1.02 0.02 -1.18 118.68 126.08 2hx5 s LEU 89 Ca -0.06 0.16 0.00 0.00 0.02 0.00 0.00 54.13 54.25 2hx5 s LEU 89 Cb -0.03 -1.87 0.11 0.00 0.02 0.00 0.00 46.19 44.42 2hx5 s LEU 89 CO -0.13 0.33 0.14 -0.13 0.02 0.00 0.00 176.35 176.58 2hx5 s ARG 90 N -0.61 0.85 0.50 1.70 0.52 0.17 -4.87 118.95 117.21 2hx5 s ARG 90 Ca 0.10 -1.33 -0.18 0.00 -0.52 0.00 0.00 55.73 53.81 2hx5 s ARG 90 Cb -0.12 -2.03 -0.08 0.00 0.52 0.00 0.00 34.95 33.23 2hx5 s ARG 90 CO 0.02 -1.05 0.99 -1.25 0.02 0.00 0.00 175.30 174.03 2hx5 s PRO 91 N 1.26 3.95 -0.07 3.54 0.05 -1.26 -1.48 135.00 140.99 2hx5 s PRO 91 Ca 0.12 1.07 -0.03 0.00 0.05 0.00 0.00 61.00 62.21 2hx5 s PRO 91 Cb -0.19 -2.13 0.04 0.00 0.05 0.00 0.00 34.50 32.26 2hx5 s PRO 91 CO -0.17 -0.27 0.14 -2.00 0.05 0.00 0.00 177.00 174.75 2hx5 s GLU 92 N -3.74 0.04 -0.22 4.56 2.12 0.35 -4.90 118.70 116.90 2hx5 s GLU 92 Ca 0.61 0.46 -0.29 0.00 0.36 0.00 0.00 54.97 56.11 2hx5 s GLU 92 Cb -0.11 -0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.03 2hx5 s GLU 92 CO 0.26 -0.25 1.03 0.50 -0.54 0.00 0.00 175.26 176.25 2hx5 s ARG 93 N 1.80 4.26 -0.08 4.30 3.52 -1.26 -1.15 118.95 130.35 2hx5 s ARG 93 Ca -0.02 1.34 -0.10 0.00 -0.13 0.00 0.00 55.73 56.82 2hx5 s ARG 93 Cb -0.12 -3.64 -0.29 0.00 -1.56 0.00 0.00 34.95 29.34 2hx5 s ARG 93 CO -0.05 -0.61 0.56 -0.07 -0.81 0.00 0.00 175.30 174.32 2hx5 h LEU 94 N 9.37 0.54 0.00 -0.88 3.38 -1.45 -3.49 115.31 122.78 2hx5 h LEU 94 Ca -0.20 -0.94 0.03 0.00 0.09 0.00 0.00 57.88 56.87 2hx5 h LEU 94 Cb 1.07 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 2hx5 h LEU 94 CO 0.97 1.80 0.32 -0.46 0.09 0.00 0.00 178.44 181.16 2hx5 n ASN 95 N -3.59 -1.67 0.15 -0.43 0.23 -1.07 -4.98 115.26 103.89 2hx5 n ASN 95 Ca -0.27 -2.07 0.10 0.00 -0.53 0.00 0.00 54.58 51.82 2hx5 n ASN 95 Cb 1.05 2.76 0.54 0.00 -2.08 0.00 0.00 39.78 42.05 2hx5 n ASN 95 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 2hx5 n PRO 96 N -0.48 0.14 -0.06 -0.53 -0.02 -1.26 -2.81 135.00 129.97 2hx5 n PRO 96 Ca -0.05 0.60 0.03 0.00 -2.02 0.00 0.00 63.50 62.06 2hx5 n PRO 96 Cb 0.47 -1.92 0.06 0.00 -0.02 0.00 0.00 33.50 32.09 2hx5 n PRO 96 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2hx5 n ASN 97 N -2.20 2.09 -3.54 2.55 3.02 -1.26 -1.47 115.26 114.45 2hx5 n ASN 97 Ca -0.01 -1.71 -0.16 0.00 -0.03 0.00 0.00 54.58 52.67 2hx5 n ASN 97 Cb 0.05 -0.07 -0.05 0.00 -0.61 0.00 0.00 39.78 39.10 2hx5 n ASN 97 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2hx5 s SER 98 N -0.80 -0.55 0.13 6.41 0.15 -1.12 -0.42 113.70 117.50 2hx5 s SER 98 Ca 0.10 0.41 -0.13 0.00 0.70 0.00 0.00 55.95 57.03 2hx5 s SER 98 Cb 0.05 0.52 0.02 0.00 -1.71 0.00 0.00 66.02 64.90 2hx5 s SER 98 CO 0.08 -0.68 0.34 0.72 1.20 0.00 0.00 173.24 174.89 2hx5 s PHE 99 N -1.94 0.02 0.13 3.44 -0.71 -1.01 -1.07 117.98 116.83 2hx5 s PHE 99 Ca -0.08 -0.38 0.04 0.00 -1.04 0.00 0.00 56.93 55.47 2hx5 s PHE 99 Cb -0.01 0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.90 2hx5 s PHE 99 CO 0.03 -0.70 -0.09 1.14 -1.34 0.00 0.00 175.22 174.26 2hx5 s GLN 100 N -3.86 0.98 -0.07 1.99 -2.07 -0.30 -0.64 119.66 115.68 2hx5 s GLN 100 Ca 0.07 -1.40 0.03 0.00 -1.82 0.00 0.00 55.36 52.23 2hx5 s GLN 100 Cb 0.02 -0.48 0.01 0.00 -1.09 0.00 0.00 33.01 31.47 2hx5 s GLN 100 CO -0.08 0.05 -0.14 0.08 -1.32 0.00 0.00 175.29 173.88 2hx5 s VAL 101 N -3.39 1.26 -0.14 3.63 1.01 -0.29 -0.50 120.40 121.99 2hx5 s VAL 101 Ca 0.15 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 2hx5 s VAL 101 Cb 0.03 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2hx5 s VAL 101 CO -0.01 0.38 0.14 -2.28 0.00 0.00 0.00 175.10 173.33 2hx5 s HIS 102 N 0.58 3.56 -0.11 5.22 2.46 -0.55 -1.47 115.29 124.99 2hx5 s HIS 102 Ca -0.14 0.49 0.02 0.00 0.47 0.00 0.00 55.06 55.89 2hx5 s HIS 102 Cb -0.16 -1.98 0.01 0.00 -0.13 0.00 0.00 32.58 30.33 2hx5 s HIS 102 CO 0.04 0.65 -0.16 -0.06 -2.47 0.00 0.00 174.74 172.75 2hx5 s PHE 103 N -0.76 2.02 -0.13 3.88 0.40 0.11 -0.66 117.98 122.84 2hx5 s PHE 103 Ca 0.14 -0.94 0.00 0.00 -0.60 0.00 0.00 56.93 55.53 2hx5 s PHE 103 Cb -0.12 -1.44 -0.01 0.00 0.51 0.00 0.00 43.02 41.96 2hx5 s PHE 103 CO 0.03 -0.48 -0.15 -2.00 0.70 0.00 0.00 175.22 173.33 2hx5 s GLU 104 N 0.94 3.32 -0.20 0.44 2.12 -0.33 -0.94 118.70 124.06 2hx5 s GLU 104 Ca -0.07 -0.72 -0.04 0.00 0.36 0.00 0.00 54.97 54.50 2hx5 s GLU 104 Cb -0.15 -2.59 -0.02 0.00 0.26 0.00 0.00 34.13 31.63 2hx5 s GLU 104 CO -0.01 0.18 -0.03 -0.06 -0.54 0.00 0.00 175.26 174.80 2hx5 s PHE 105 N 0.42 2.97 -0.02 5.30 0.40 -0.16 -1.19 117.98 125.71 2hx5 s PHE 105 Ca -0.11 -0.71 0.08 0.00 -0.60 0.00 0.00 56.93 55.58 2hx5 s PHE 105 Cb -0.16 -2.07 -0.02 0.00 0.51 0.00 0.00 43.02 41.28 2hx5 s PHE 105 CO 0.05 -0.39 -0.25 1.03 0.70 0.00 0.00 175.22 176.36 2hx5 s ARG 106 N 1.18 1.99 -0.05 0.44 0.52 0.14 -0.62 118.95 122.55 2hx5 s ARG 106 Ca 0.02 -0.89 0.01 0.00 -0.52 0.00 0.00 55.73 54.35 2hx5 s ARG 106 Cb -0.14 -1.94 0.02 0.00 0.52 0.00 0.00 34.95 33.41 2hx5 s ARG 106 CO -0.00 0.53 -0.04 0.00 0.02 0.00 0.00 175.30 175.81 2hx5 n GLU 108 N 4.21 -4.09 -0.70 0.00 1.02 -1.26 -1.89 120.64 117.92 2hx5 n GLU 108 Ca -0.22 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 2hx5 n GLU 108 Cb 0.51 -4.92 0.00 0.00 -0.02 0.00 0.00 31.44 27.00 2hx5 n GLU 108 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2hx5 n GLU 109 N -4.40 0.00 -4.35 3.49 -0.58 -1.26 -4.98 120.64 108.56 2hx5 n GLU 109 Ca -0.22 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.20 2hx5 n GLU 109 Cb 0.64 -3.59 -0.09 0.00 -0.57 0.00 0.00 31.44 27.82 2hx5 n GLU 109 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2hx5 s GLN 110 N -0.54 2.74 -0.16 3.49 -0.21 -0.79 -5.04 119.66 119.14 2hx5 s GLN 110 Ca 0.00 -0.62 -0.29 0.00 0.02 0.00 0.00 55.36 54.47 2hx5 s GLN 110 Cb 0.00 -2.63 -0.02 0.00 1.00 0.00 0.00 33.01 31.36 2hx5 s GLN 110 CO 0.00 0.63 1.36 0.42 -2.12 0.00 0.00 175.29 175.58 2hx5 s ILE 111 N -1.03 4.10 -0.13 1.08 1.01 -1.26 -1.37 121.20 123.60 2hx5 s ILE 111 Ca 0.18 1.32 0.18 0.00 0.00 0.00 0.00 60.65 62.33 2hx5 s ILE 111 Cb -0.11 -3.90 -0.24 0.00 0.01 0.00 0.00 42.46 38.22 2hx5 s ILE 111 CO 0.08 -0.17 0.39 0.00 0.00 0.00 0.00 174.94 175.25 2hx5 n ALA 112 N 6.91 1.89 -3.49 9.38 0.00 0.21 -4.48 120.51 130.94 2hx5 n ALA 112 Ca 0.15 -0.92 -0.10 0.00 0.00 0.00 0.00 53.44 52.57 2hx5 n ALA 112 Cb 0.45 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.32 2hx5 n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hx5 s ALA 113 N -2.83 -1.78 0.07 0.00 0.00 -1.20 -0.49 121.76 115.54 2hx5 s ALA 113 Ca -0.07 0.95 -0.10 0.00 0.00 0.00 0.00 51.96 52.73 2hx5 s ALA 113 Cb 0.09 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.64 2hx5 s ALA 113 CO 0.84 -0.66 0.22 -3.38 0.00 0.00 0.00 175.76 172.78 2hx5 s HIS 114 N -3.03 0.06 0.14 0.00 -0.00 -0.72 -0.98 115.29 110.76 2hx5 s HIS 114 Ca 0.03 -0.37 -0.09 0.00 -0.00 0.00 0.00 55.06 54.63 2hx5 s HIS 114 Cb -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 32.58 32.56 2hx5 s HIS 114 CO -0.08 -0.51 0.27 0.00 -0.00 0.00 0.00 174.74 174.41 2hx5 s ALA 115 N -3.25 -0.12 -0.03 -1.38 0.00 -0.11 -1.06 121.76 115.81 2hx5 s ALA 115 Ca 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 2hx5 s ALA 115 Cb 0.02 0.75 0.03 0.00 0.00 0.00 0.00 23.12 23.91 2hx5 s ALA 115 CO -0.08 -0.61 0.05 -1.17 0.00 0.00 0.00 175.76 173.95 2hx5 s LEU 116 N -2.93 1.19 -0.09 0.00 2.96 -0.18 -0.71 118.68 118.92 2hx5 s LEU 116 Ca 0.13 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 2hx5 s LEU 116 Cb 0.04 0.05 0.02 0.00 0.50 0.00 0.00 46.19 46.79 2hx5 s LEU 116 CO -0.04 -0.11 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.14 2hx5 s ILE 117 N 0.85 1.18 -0.13 6.68 1.01 -0.54 -1.40 121.20 128.85 2hx5 s ILE 117 Ca -0.07 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 2hx5 s ILE 117 Cb -0.10 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.24 2hx5 s ILE 117 CO -0.03 0.38 -0.10 -0.60 0.00 0.00 0.00 174.94 174.59 2hx5 s ARG 118 N 1.10 3.39 0.10 2.79 3.52 -0.08 -1.14 118.95 128.63 2hx5 s ARG 118 Ca -0.06 -0.64 0.08 0.00 -0.13 0.00 0.00 55.73 54.99 2hx5 s ARG 118 Cb -0.14 -2.69 -0.04 0.00 -1.56 0.00 0.00 34.95 30.52 2hx5 s ARG 118 CO -0.02 0.27 -0.17 -1.01 -0.81 0.00 0.00 175.30 173.56 2hx5 s HIS 119 N 0.24 2.56 -0.04 5.12 3.76 0.18 -0.98 115.29 126.13 2hx5 s HIS 119 Ca -0.07 -0.25 0.06 0.00 -0.15 0.00 0.00 55.06 54.65 2hx5 s HIS 119 Cb -0.15 -1.38 -0.02 0.00 1.11 0.00 0.00 32.58 32.14 2hx5 s HIS 119 CO 0.05 0.37 -0.21 -1.17 -0.85 0.00 0.00 174.74 172.92 2hx5 s LEU 120 N -2.03 2.31 -0.16 0.89 2.96 -0.51 -2.42 118.68 119.73 2hx5 s LEU 120 Ca 0.18 -0.38 -0.23 0.00 -0.22 0.00 0.00 54.13 53.48 2hx5 s LEU 120 Cb -0.11 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.13 2hx5 s LEU 120 CO 0.10 0.31 0.73 0.00 -1.32 0.00 0.00 176.35 176.17 2hx5 s ALA 121 N -0.56 3.48 0.11 5.97 0.00 0.44 -2.73 121.76 128.47 2hx5 s ALA 121 Ca 0.08 -0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.03 2hx5 s ALA 121 Cb -0.11 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 2hx5 s ALA 121 CO 0.00 -0.49 -0.12 0.96 0.00 0.00 0.00 175.76 176.12 2hx5 s ILE 122 N 1.75 1.10 0.12 0.00 -4.36 -0.58 -1.41 121.20 117.82 2hx5 s ILE 122 Ca 0.35 -1.67 -0.31 0.00 -0.26 0.00 0.00 60.65 58.75 2hx5 s ILE 122 Cb -0.17 -1.43 -0.08 0.00 1.25 0.00 0.00 42.46 42.03 2hx5 s ILE 122 CO 0.13 -0.50 1.45 0.21 0.24 0.00 0.00 174.94 176.47 2hx5 s ASN 123 N -2.45 6.75 0.51 4.36 3.84 0.18 -0.33 114.94 127.80 2hx5 s ASN 123 Ca 0.07 2.40 0.25 0.00 0.21 0.00 0.00 52.86 55.78 2hx5 s ASN 123 Cb -0.04 -2.59 1.40 0.00 -0.55 0.00 0.00 41.25 39.47 2hx5 s ASN 123 CO 0.01 -0.71 2.08 0.00 -2.79 0.00 0.00 177.10 175.69 2hx5 h ALA 124 N 6.94 1.42 0.03 1.71 0.00 -1.28 0.17 119.26 128.25 2hx5 h ALA 124 Ca -0.42 -0.11 -0.36 0.00 0.00 0.00 0.00 54.91 54.03 2hx5 h ALA 124 Cb 1.21 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 2hx5 h ALA 124 CO 0.88 0.15 -2.16 1.04 0.00 0.00 0.00 179.25 179.16 2hx5 n GLN 125 N -3.84 0.69 0.04 0.00 6.02 -1.26 -4.45 117.38 114.57 2hx5 n GLN 125 Ca -0.02 0.18 0.07 0.00 -0.01 0.00 0.00 57.00 57.22 2hx5 n GLN 125 Cb 0.22 -1.63 -0.08 0.00 1.02 0.00 0.00 30.24 29.76 2hx5 n GLN 125 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2hx5 n THR 126 N -3.15 0.60 -1.48 5.09 -2.24 -1.17 -4.97 114.28 106.94 2hx5 n THR 126 Ca -0.33 -0.59 -0.17 0.00 -2.27 0.00 0.00 64.05 60.70 2hx5 n THR 126 Cb 1.06 -0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.90 2hx5 n THR 126 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2hx5 n ARG 127 N -2.59 -1.43 -2.79 -0.78 5.12 0.60 -4.98 116.66 109.81 2hx5 n ARG 127 Ca -0.06 1.08 -0.35 0.00 -1.93 0.00 0.00 57.85 56.59 2hx5 n ARG 127 Cb 0.66 -5.42 -0.07 0.00 -1.16 0.00 0.00 32.46 26.48 2hx5 n ARG 127 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2hx5 s HIS 128 N -2.49 3.53 0.43 -1.55 3.76 -1.26 -4.71 115.29 113.00 2hx5 s HIS 128 Ca 0.00 1.71 -0.26 0.00 -0.15 0.00 0.00 55.06 56.36 2hx5 s HIS 128 Cb 0.00 -2.90 -0.09 0.00 1.11 0.00 0.00 32.58 30.69 2hx5 s HIS 128 CO 0.00 0.05 1.39 0.54 -0.85 0.00 0.00 174.74 175.88 2hx5 n ARG 129 N 0.08 2.22 -4.11 1.40 1.74 -1.26 -0.65 116.66 116.07 2hx5 n ARG 129 Ca 0.04 0.79 -0.14 0.00 -0.77 0.00 0.00 57.85 57.76 2hx5 n ARG 129 Cb 0.52 -2.56 -0.05 0.00 -1.02 0.00 0.00 32.46 29.35 2hx5 n ARG 129 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2hx5 s ALA 131 N -3.31 2.77 0.41 0.00 0.00 -1.26 -4.43 121.76 115.95 2hx5 s ALA 131 Ca 0.32 0.86 -0.25 0.00 0.00 0.00 0.00 51.96 52.88 2hx5 s ALA 131 Cb 0.01 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 2hx5 s ALA 131 CO 0.19 -0.74 1.19 1.28 0.00 0.00 0.00 175.76 177.68 2hx5 n LEU 132 N -1.07 3.50 -4.71 0.00 4.77 -0.54 -4.91 117.00 114.04 2hx5 n LEU 132 Ca 0.10 1.10 -0.38 0.00 -0.03 0.00 0.00 56.01 56.81 2hx5 n LEU 132 Cb 0.50 -1.45 0.06 0.00 -2.33 0.00 0.00 43.42 40.20 2hx5 n LEU 132 CO 0.44 -0.90 0.87 -2.65 -1.33 0.00 0.00 177.39 173.82 2hx5 n PRO 133 N 0.14 1.26 -0.32 3.23 -0.02 -1.26 -4.79 135.00 133.24 2hx5 n PRO 133 Ca 0.07 0.48 0.02 0.00 -2.02 0.00 0.00 63.50 62.05 2hx5 n PRO 133 Cb 0.39 -2.48 0.20 0.00 -0.02 0.00 0.00 33.50 31.58 2hx5 n PRO 133 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2hx5 h GLU 134 N 0.80 1.09 -0.64 -0.52 -0.00 -1.99 -1.42 114.58 111.91 2hx5 h GLU 134 Ca -0.50 -0.07 -0.09 0.00 -0.00 0.00 0.00 59.36 58.70 2hx5 h GLU 134 Cb 1.33 -0.25 -0.02 0.00 -0.00 0.00 0.00 28.75 29.81 2hx5 h GLU 134 CO 0.54 0.72 0.06 0.78 -0.00 0.00 0.00 179.01 181.11 2hx5 h GLY 135 N 1.13 1.17 1.18 1.06 0.00 -1.99 -0.74 103.07 104.88 2hx5 h GLY 135 Ca 0.38 -0.81 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 2hx5 h GLY 135 CO -0.12 0.75 0.11 -2.22 0.00 0.00 0.00 176.54 175.06 2hx5 h ILE 136 N 0.99 1.25 -0.70 2.60 1.08 -1.74 -1.64 117.51 119.35 2hx5 h ILE 136 Ca 0.19 -0.98 -0.05 0.00 -0.39 0.00 0.00 64.86 63.62 2hx5 h ILE 136 Cb 0.49 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 34.87 2hx5 h ILE 136 CO 0.02 0.37 0.23 0.44 -0.69 0.00 0.00 178.15 178.51 2hx5 h ASP 137 N 0.95 1.02 -0.59 1.72 3.32 -0.90 0.04 116.42 121.98 2hx5 h ASP 137 Ca 0.19 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2hx5 h ASP 137 Cb 0.40 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 2hx5 h ASP 137 CO 0.01 0.95 0.38 0.03 -1.72 0.00 0.00 179.24 178.89 2hx5 h ARG 138 N 1.03 0.79 -0.25 3.56 3.08 -0.87 -1.05 114.38 120.67 2hx5 h ARG 138 Ca 0.23 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 2hx5 h ARG 138 Cb 0.29 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2hx5 h ARG 138 CO -0.01 0.54 0.15 2.35 -1.07 0.00 0.00 179.97 181.93 2hx5 h TRP 139 N 0.80 0.33 -0.31 3.04 7.01 -1.02 0.15 115.95 125.96 2hx5 h TRP 139 Ca 0.22 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.25 2hx5 h TRP 139 Cb -0.07 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 26.85 2hx5 h TRP 139 CO -0.03 0.25 0.11 -0.07 -2.79 0.00 0.00 178.44 175.91 2hx5 h LEU 140 N 0.32 0.13 -0.46 0.65 3.38 -0.85 -1.59 115.31 116.89 2hx5 h LEU 140 Ca 0.09 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2hx5 h LEU 140 Cb 0.01 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2hx5 h LEU 140 CO -0.02 0.11 0.22 -0.08 0.09 0.00 0.00 178.44 178.77 2hx5 h GLU 141 N 0.25 0.65 0.00 1.13 4.57 -1.02 -2.53 114.58 117.63 2hx5 h GLU 141 Ca 0.13 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 2hx5 h GLU 141 Cb 0.10 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 2hx5 h GLU 141 CO -0.13 0.55 -0.21 0.00 -1.18 0.00 0.00 179.01 178.04 2hx5 h ALA 142 N 1.07 1.30 -0.12 2.92 0.00 -0.77 -2.58 119.26 121.08 2hx5 h ALA 142 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2hx5 h ALA 142 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2hx5 h ALA 142 CO -0.02 0.26 0.00 0.43 0.00 0.00 0.00 179.25 179.92 2hx5 n SER 143 N -3.78 1.89 0.00 0.00 7.64 -0.62 -4.83 113.62 113.93 2hx5 n SER 143 Ca -0.02 -1.69 0.01 0.00 1.01 0.00 0.00 58.87 58.18 2hx5 n SER 143 Cb 0.31 -0.07 0.05 0.00 -1.01 0.00 0.00 64.21 63.49 2hx5 n SER 143 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64