#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh6 s TYR 3 N 0.00 3.64 0.68 0.00 2.02 -1.26 -5.04 117.35 117.39 2wh6 s TYR 3 Ca 0.00 1.66 -0.11 0.00 -0.37 0.00 0.00 57.07 58.25 2wh6 s TYR 3 Cb 0.00 -3.23 -0.00 0.00 -0.40 0.00 0.00 41.96 38.32 2wh6 s TYR 3 CO 0.00 -0.44 1.07 -1.54 -1.57 0.00 0.00 175.55 173.07 2wh6 s SER 4 N -0.33 5.67 0.26 2.29 1.04 -1.26 -4.75 113.70 116.62 2wh6 s SER 4 Ca 0.48 1.29 -0.04 0.00 0.48 0.00 0.00 55.95 58.15 2wh6 s SER 4 Cb -0.29 -2.18 0.31 0.00 0.10 0.00 0.00 66.02 63.96 2wh6 s SER 4 CO 0.35 -1.21 1.87 0.74 0.98 0.00 0.00 173.24 175.96 2wh6 h THR 5 N -0.56 1.24 -0.44 2.02 2.02 -1.93 -0.89 112.91 114.36 2wh6 h THR 5 Ca -0.45 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.10 2wh6 h THR 5 Cb 1.23 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 2wh6 h THR 5 CO 0.62 0.28 0.27 -0.09 0.37 0.00 0.00 175.52 176.97 2wh6 h ARG 6 N 1.09 0.53 -0.38 6.66 2.43 -1.83 0.12 114.38 123.02 2wh6 h ARG 6 Ca 0.27 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2wh6 h ARG 6 Cb 0.09 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2wh6 h ARG 6 CO -0.04 0.35 0.23 0.93 -1.51 0.00 0.00 179.97 179.94 2wh6 h GLU 7 N 0.55 0.51 0.04 0.20 5.08 -1.77 -0.31 114.58 118.87 2wh6 h GLU 7 Ca 0.17 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2wh6 h GLU 7 Cb -0.01 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2wh6 h GLU 7 CO -0.07 0.37 -0.02 0.82 -1.00 0.00 0.00 179.01 179.11 2wh6 h ILE 8 N 0.49 0.96 -0.72 3.13 1.08 -0.77 -0.13 117.51 121.55 2wh6 h ILE 8 Ca 0.14 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.57 2wh6 h ILE 8 Cb -0.01 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 2wh6 h ILE 8 CO -0.03 0.00 0.36 0.25 -0.69 0.00 0.00 178.15 178.05 2wh6 h LEU 9 N -0.06 0.93 -0.53 1.44 5.85 -0.68 -0.56 115.31 121.69 2wh6 h LEU 9 Ca -0.01 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.49 2wh6 h LEU 9 Cb 0.04 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2wh6 h LEU 9 CO 0.01 0.79 -0.06 0.25 -0.34 0.00 0.00 178.44 179.08 2wh6 h LEU 10 N 1.00 0.97 -0.86 2.25 5.85 -0.84 -0.51 115.31 123.17 2wh6 h LEU 10 Ca 0.25 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2wh6 h LEU 10 Cb 0.09 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 2wh6 h LEU 10 CO -0.03 1.07 0.50 0.00 -0.34 0.00 0.00 178.44 179.64 2wh6 h ALA 11 N 0.93 1.10 -0.70 1.25 0.00 -0.78 -0.55 119.26 120.51 2wh6 h ALA 11 Ca 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2wh6 h ALA 11 Cb 0.61 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2wh6 h ALA 11 CO 0.04 0.58 0.32 -0.07 0.00 0.00 0.00 179.25 180.12 2wh6 h LEU 12 N 1.19 0.94 -0.52 0.00 3.38 -0.67 -0.11 115.31 119.51 2wh6 h LEU 12 Ca 0.31 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 2wh6 h LEU 12 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2wh6 h LEU 12 CO -0.05 0.82 -0.08 0.00 0.09 0.00 0.00 178.44 179.21 2wh6 h ILE 14 N 0.85 1.16 -0.56 0.00 2.04 -0.88 -1.34 117.51 118.78 2wh6 h ILE 14 Ca 0.14 -0.48 0.10 0.00 1.00 0.00 0.00 64.86 65.62 2wh6 h ILE 14 Cb 0.64 1.38 -0.08 0.00 -0.74 0.00 0.00 36.82 38.02 2wh6 h ILE 14 CO 0.04 0.13 0.12 -0.09 0.00 0.00 0.00 178.15 178.36 2wh6 h ARG 15 N -0.10 0.25 -1.01 2.37 9.65 -0.94 0.74 114.38 125.35 2wh6 h ARG 15 Ca 0.02 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.92 2wh6 h ARG 15 Cb 0.20 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.66 2wh6 h ARG 15 CO -0.00 0.17 0.66 0.22 2.80 0.00 0.00 179.97 183.82 2wh6 h ASP 16 N 0.26 1.10 -0.68 -3.80 3.58 -0.71 -0.60 116.42 115.57 2wh6 h ASP 16 Ca 0.29 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.66 2wh6 h ASP 16 Cb 0.41 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 2wh6 h ASP 16 CO -0.37 0.75 0.16 0.28 -2.88 0.00 0.00 179.24 177.18 2wh6 h SER 17 N 1.27 1.04 0.01 2.28 0.02 -0.37 -2.41 113.55 115.39 2wh6 h SER 17 Ca 0.40 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2wh6 h SER 17 Cb 0.02 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.28 2wh6 h SER 17 CO -0.13 1.00 -0.00 0.03 -1.14 0.00 0.00 176.83 176.59 2wh6 h ARG 18 N 1.02 0.00 -0.27 3.45 2.47 0.65 -2.78 114.38 118.92 2wh6 h ARG 18 Ca 0.21 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.93 2wh6 h ARG 18 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 2wh6 h ARG 18 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 179.97 181.86 2wh6 n VAL 19 N -3.64 0.92 -4.31 2.04 0.24 -0.75 -4.39 118.33 108.45 2wh6 n VAL 19 Ca -0.03 -0.96 -0.25 0.00 -2.04 0.00 0.00 64.34 61.06 2wh6 n VAL 19 Cb 0.08 0.55 -0.13 0.00 -1.47 0.00 0.00 33.84 32.88 2wh6 n VAL 19 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2wh6 s HIS 20 N -0.98 1.88 0.00 6.34 3.76 -0.94 -4.99 115.29 120.35 2wh6 s HIS 20 Ca 0.19 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 2wh6 s HIS 20 Cb 0.10 -1.03 0.00 0.00 1.11 0.00 0.00 32.58 32.76 2wh6 s HIS 20 CO 0.13 0.22 0.00 0.41 -0.85 0.00 0.00 174.74 174.66 2wh6 n GLY 21 N 1.08 3.17 0.08 -2.22 0.00 -1.26 -1.62 105.19 104.42 2wh6 n GLY 21 Ca -0.19 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.00 2wh6 n GLY 21 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wh6 n ASN 22 N 4.01 0.45 -0.12 1.61 5.03 -1.26 -4.87 115.26 120.11 2wh6 n ASN 22 Ca 0.00 0.59 -0.02 0.00 0.87 0.00 0.00 54.58 56.02 2wh6 n ASN 22 Cb 0.00 -0.69 -0.01 0.00 -1.02 0.00 0.00 39.78 38.06 2wh6 n ASN 22 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wh6 n GLY 23 N 0.41 0.44 3.88 7.41 0.00 -0.64 -5.02 105.19 111.68 2wh6 n GLY 23 Ca 0.04 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2wh6 n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wh6 s THR 24 N -1.74 4.92 -0.19 2.61 2.01 -1.26 -4.32 115.64 117.67 2wh6 s THR 24 Ca 0.00 0.37 -0.11 0.00 0.31 0.00 0.00 61.69 62.26 2wh6 s THR 24 Cb 0.00 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 2wh6 s THR 24 CO 0.00 -0.28 0.18 -0.76 -0.69 0.00 0.00 174.62 173.08 2wh6 s LEU 25 N -3.34 4.21 0.41 4.42 1.43 -1.26 -4.71 118.68 119.84 2wh6 s LEU 25 Ca 0.47 0.30 -0.26 0.00 -1.03 0.00 0.00 54.13 53.60 2wh6 s LEU 25 Cb -0.11 -2.17 -0.10 0.00 0.03 0.00 0.00 46.19 43.84 2wh6 s LEU 25 CO 0.27 0.14 1.44 1.57 0.23 0.00 0.00 176.35 179.99 2wh6 n HIS 26 N 3.63 2.76 -0.30 0.29 -0.00 -1.26 -4.84 115.22 115.50 2wh6 n HIS 26 Ca -0.15 0.45 0.31 0.00 -0.00 0.00 0.00 57.72 58.34 2wh6 n HIS 26 Cb 0.52 -2.48 0.69 0.00 -0.00 0.00 0.00 29.99 28.71 2wh6 n HIS 26 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2wh6 h PRO 27 N 2.55 0.10 -0.34 1.57 0.11 -2.00 0.76 132.00 134.74 2wh6 h PRO 27 Ca -0.50 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 2wh6 h PRO 27 Cb 1.26 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2wh6 h PRO 27 CO 0.62 0.06 -0.07 0.28 -0.21 0.00 0.00 178.00 178.68 2wh6 h VAL 28 N 0.10 1.23 -0.05 3.15 2.07 -1.96 -0.85 116.25 119.93 2wh6 h VAL 28 Ca 0.55 -0.96 -0.20 0.00 0.82 0.00 0.00 66.70 66.91 2wh6 h VAL 28 Cb 2.00 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2wh6 h VAL 28 CO -0.08 0.32 -0.81 -0.07 0.02 0.00 0.00 177.57 176.95 2wh6 h LEU 29 N 0.53 0.50 -0.31 2.57 3.38 -1.20 -0.29 115.31 120.49 2wh6 h LEU 29 Ca 0.10 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.75 2wh6 h LEU 29 Cb 0.45 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2wh6 h LEU 29 CO 0.02 1.12 0.13 -0.33 0.09 0.00 0.00 178.44 179.47 2wh6 h GLU 30 N 0.26 0.27 -0.31 1.13 4.39 -1.28 -1.57 114.58 117.48 2wh6 h GLU 30 Ca -0.05 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2wh6 h GLU 30 Cb 1.40 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.98 2wh6 h GLU 30 CO 0.14 0.18 0.17 1.25 -1.16 0.00 0.00 179.01 179.59 2wh6 h LEU 31 N 0.28 0.39 -1.00 1.33 6.46 -0.99 -1.85 115.31 119.93 2wh6 h LEU 31 Ca 0.14 -0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.76 2wh6 h LEU 31 Cb 0.08 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 39.88 2wh6 h LEU 31 CO -0.12 0.37 0.22 0.00 -0.62 0.00 0.00 178.44 178.29 2wh6 h ALA 32 N 1.04 1.20 -0.72 1.25 0.00 -0.96 -0.81 119.26 120.25 2wh6 h ALA 32 Ca 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2wh6 h ALA 32 Cb 0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2wh6 h ALA 32 CO -0.02 0.57 0.42 0.00 0.00 0.00 0.00 179.25 180.22 2wh6 h ALA 33 N 1.32 0.93 -0.47 0.00 0.00 -0.96 -1.26 119.26 118.82 2wh6 h ALA 33 Ca 0.21 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2wh6 h ALA 33 Cb 0.23 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2wh6 h ALA 33 CO -0.01 0.41 0.14 -0.09 0.00 0.00 0.00 179.25 179.70 2wh6 h ARG 34 N 0.99 0.74 0.00 0.00 2.43 -0.64 -0.55 114.38 117.35 2wh6 h ARG 34 Ca 0.26 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2wh6 h ARG 34 Cb -0.00 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 2wh6 h ARG 34 CO -0.05 0.71 -0.69 0.93 -1.51 0.00 0.00 179.97 179.37 2wh6 h GLU 35 N 0.63 0.00 0.00 0.20 4.39 -1.01 -3.40 114.58 115.39 2wh6 h GLU 35 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2wh6 h GLU 35 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2wh6 h GLU 35 CO -0.00 0.01 0.00 2.41 -1.16 0.00 0.00 179.01 180.26 2wh6 n THR 36 N -2.82 0.00 -4.30 1.13 -1.04 -0.49 -4.95 114.28 101.81 2wh6 n THR 36 Ca 0.01 1.19 -0.29 0.00 -2.04 0.00 0.00 64.05 62.92 2wh6 n THR 36 Cb 0.55 -2.17 -0.11 0.00 -1.82 0.00 0.00 70.33 66.78 2wh6 n THR 36 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2wh6 s PRO 37 N -1.84 1.83 -0.18 -2.82 0.04 -1.26 -5.11 135.00 125.65 2wh6 s PRO 37 Ca 0.00 -1.21 -0.27 0.00 0.04 0.00 0.00 61.00 59.56 2wh6 s PRO 37 Cb 0.00 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 2wh6 s PRO 37 CO 0.00 0.47 0.92 -1.17 0.04 0.00 0.00 177.00 177.26 2wh6 s LEU 38 N -2.29 4.16 0.00 -3.56 2.96 -0.21 -4.91 118.68 114.82 2wh6 s LEU 38 Ca 0.19 1.29 0.10 0.00 -0.22 0.00 0.00 54.13 55.49 2wh6 s LEU 38 Cb -0.10 -3.38 0.18 0.00 0.50 0.00 0.00 46.19 43.39 2wh6 s LEU 38 CO 0.11 -0.50 1.02 0.54 -1.32 0.00 0.00 176.35 176.21 2wh6 n ARG 39 N 5.57 1.62 -4.19 1.98 1.74 -1.26 -4.96 116.66 117.16 2wh6 n ARG 39 Ca 0.07 -1.54 -0.34 0.00 -0.77 0.00 0.00 57.85 55.27 2wh6 n ARG 39 Cb 0.48 -1.22 -0.10 0.00 -1.02 0.00 0.00 32.46 30.60 2wh6 n ARG 39 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2wh6 s LEU 40 N -0.92 3.64 0.18 0.55 2.96 -1.26 -5.10 118.68 118.74 2wh6 s LEU 40 Ca 0.16 0.06 -0.30 0.00 -0.22 0.00 0.00 54.13 53.83 2wh6 s LEU 40 Cb 0.10 -1.89 -0.08 0.00 0.50 0.00 0.00 46.19 44.82 2wh6 s LEU 40 CO 0.13 0.23 1.17 -0.55 -1.32 0.00 0.00 176.35 176.01 2wh6 s SER 41 N 0.00 7.14 0.46 3.68 0.15 -1.26 -4.85 113.70 119.03 2wh6 s SER 41 Ca 0.04 2.19 0.32 0.00 0.70 0.00 0.00 55.95 59.19 2wh6 s SER 41 Cb -0.13 -2.61 1.57 0.00 -1.71 0.00 0.00 66.02 63.15 2wh6 s SER 41 CO 0.02 -0.33 1.96 1.55 1.20 0.00 0.00 173.24 177.64 2wh6 h PRO 42 N 5.22 0.00 -0.29 5.44 0.13 -1.97 -1.21 132.00 139.32 2wh6 h PRO 42 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2wh6 h PRO 42 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2wh6 h PRO 42 CO 0.74 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.90 2wh6 n GLU 43 N -2.68 2.30 -1.84 0.86 1.02 -1.26 -4.50 120.64 114.54 2wh6 n GLU 43 Ca -0.01 -1.95 -0.41 0.00 -0.02 0.00 0.00 57.16 54.77 2wh6 n GLU 43 Cb 0.14 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.07 2wh6 n GLU 43 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2wh6 s ASP 44 N -1.58 6.40 0.38 1.62 -1.08 -0.46 -4.80 116.67 117.15 2wh6 s ASP 44 Ca 0.36 3.00 0.10 0.00 -0.52 0.00 0.00 52.55 55.50 2wh6 s ASP 44 Cb 0.21 -2.67 0.88 0.00 -1.46 0.00 0.00 42.92 39.89 2wh6 s ASP 44 CO 0.30 -0.83 1.91 0.71 0.52 0.00 0.00 175.17 177.78 2wh6 h THR 45 N 2.99 0.87 -0.74 1.71 1.35 -1.93 -0.41 112.91 116.75 2wh6 h THR 45 Ca -0.51 -0.21 -0.03 0.00 -0.55 0.00 0.00 66.41 65.11 2wh6 h THR 45 Cb 1.24 0.21 -0.03 0.00 -1.73 0.00 0.00 68.15 67.83 2wh6 h THR 45 CO 0.65 0.11 0.32 1.62 -0.25 0.00 0.00 175.52 177.97 2wh6 h VAL 46 N 0.61 1.24 -0.31 6.82 3.04 -1.94 -0.11 116.25 125.60 2wh6 h VAL 46 Ca 0.38 -0.72 -0.11 0.00 -1.01 0.00 0.00 66.70 65.24 2wh6 h VAL 46 Cb 0.64 0.33 -0.01 0.00 -2.01 0.00 0.00 31.29 30.24 2wh6 h VAL 46 CO -0.15 0.30 -0.26 0.58 -1.01 0.00 0.00 177.57 177.04 2wh6 h VAL 47 N 1.06 1.30 -0.84 1.51 2.07 -1.42 -1.44 116.25 118.50 2wh6 h VAL 47 Ca 0.25 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 2wh6 h VAL 47 Cb 0.16 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 2wh6 h VAL 47 CO -0.03 0.45 0.41 -0.07 0.02 0.00 0.00 177.57 178.36 2wh6 h LEU 48 N 0.47 1.08 -0.22 2.57 3.38 -0.83 0.11 115.31 121.88 2wh6 h LEU 48 Ca 0.06 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2wh6 h LEU 48 Cb 0.82 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2wh6 h LEU 48 CO 0.07 0.90 -0.03 0.03 0.09 0.00 0.00 178.44 179.49 2wh6 h ARG 49 N 1.19 0.41 -0.50 1.13 3.08 -0.93 -2.23 114.38 116.53 2wh6 h ARG 49 Ca 0.29 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 2wh6 h ARG 49 Cb 0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2wh6 h ARG 49 CO -0.04 0.63 0.13 1.88 -1.07 0.00 0.00 179.97 181.50 2wh6 h TYR 50 N 0.15 0.76 -0.79 3.04 -1.99 -1.10 -2.67 116.97 114.36 2wh6 h TYR 50 Ca 0.06 -0.06 0.04 0.00 2.00 0.00 0.00 58.73 60.76 2wh6 h TYR 50 Cb 0.47 -0.23 -0.05 0.00 2.00 0.00 0.00 36.73 38.92 2wh6 h TYR 50 CO 0.05 0.64 0.50 1.25 -0.00 0.00 0.00 178.16 180.60 2wh6 h HIS 51 N 0.72 0.94 -0.48 4.88 2.76 -0.50 -0.49 115.15 122.98 2wh6 h HIS 51 Ca 0.16 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 2wh6 h HIS 51 Cb 0.25 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 2wh6 h HIS 51 CO 0.01 0.53 0.21 0.28 -1.30 0.00 0.00 177.93 177.66 2wh6 h VAL 52 N 0.97 1.20 -0.49 5.26 2.07 -1.19 -0.67 116.25 123.40 2wh6 h VAL 52 Ca 0.32 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2wh6 h VAL 52 Cb 0.04 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2wh6 h VAL 52 CO -0.12 0.23 0.27 -0.07 0.02 0.00 0.00 177.57 177.89 2wh6 h LEU 53 N 0.64 0.62 -0.76 2.57 3.38 -1.05 -0.91 115.31 119.80 2wh6 h LEU 53 Ca 0.16 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 2wh6 h LEU 53 Cb 0.16 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2wh6 h LEU 53 CO -0.02 0.53 -0.16 -0.07 0.09 0.00 0.00 178.44 178.81 2wh6 h LEU 54 N 0.65 0.77 -0.96 1.67 3.38 -1.05 -1.90 115.31 117.88 2wh6 h LEU 54 Ca 0.17 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2wh6 h LEU 54 Cb 0.05 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 2wh6 h LEU 54 CO -0.03 0.94 0.56 -0.33 0.09 0.00 0.00 178.44 179.67 2wh6 h GLU 55 N 0.69 1.28 -0.54 1.13 5.08 -0.82 -0.52 114.58 120.88 2wh6 h GLU 55 Ca 0.11 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2wh6 h GLU 55 Cb 0.66 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2wh6 h GLU 55 CO 0.05 0.90 0.29 0.93 -1.00 0.00 0.00 179.01 180.18 2wh6 h GLU 56 N 1.30 0.76 -0.44 2.33 5.08 -0.86 0.06 114.58 122.81 2wh6 h GLU 56 Ca 0.34 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 2wh6 h GLU 56 Cb -0.05 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 2wh6 h GLU 56 CO -0.06 0.60 0.15 0.82 -1.00 0.00 0.00 179.01 179.51 2wh6 h ILE 57 N 0.73 1.22 -0.20 3.13 2.04 -1.03 -1.10 117.51 122.30 2wh6 h ILE 57 Ca 0.19 -0.70 0.03 0.00 1.00 0.00 0.00 64.86 65.38 2wh6 h ILE 57 Cb 0.06 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2wh6 h ILE 57 CO -0.03 0.25 0.00 0.40 0.00 0.00 0.00 178.15 178.78 2wh6 h ILE 58 N 0.57 0.86 -0.50 -0.67 2.04 -0.85 -2.31 117.51 116.64 2wh6 h ILE 58 Ca 0.14 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.95 2wh6 h ILE 58 Cb 0.24 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2wh6 h ILE 58 CO -0.01 0.01 0.19 -0.33 0.00 0.00 0.00 178.15 178.02 2wh6 h GLU 59 N 0.07 0.76 0.00 2.37 5.08 -0.85 0.80 114.58 122.81 2wh6 h GLU 59 Ca 0.09 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2wh6 h GLU 59 Cb 0.12 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2wh6 h GLU 59 CO -0.16 0.68 -0.09 0.00 -1.00 0.00 0.00 179.01 178.44 2wh6 h ARG 60 N 0.67 0.00 -0.25 2.33 3.08 -1.11 -2.84 114.38 116.27 2wh6 h ARG 60 Ca 0.17 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.04 2wh6 h ARG 60 Cb 0.21 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.12 2wh6 h ARG 60 CO -0.01 0.09 -0.59 0.09 -1.07 0.00 0.00 179.97 178.48 2wh6 n ASN 61 N -4.25 2.77 -0.14 7.04 4.13 -0.88 -4.90 115.26 119.04 2wh6 n ASN 61 Ca -0.03 -3.86 -0.05 0.00 1.68 0.00 0.00 54.58 52.33 2wh6 n ASN 61 Cb 0.17 -0.47 0.02 0.00 -1.54 0.00 0.00 39.78 37.95 2wh6 n ASN 61 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 2wh6 h SER 62 N 1.38 -0.72 -0.11 6.41 0.87 -0.60 0.71 113.55 121.49 2wh6 h SER 62 Ca 0.12 0.17 -0.20 0.00 -1.23 0.00 0.00 61.79 60.65 2wh6 h SER 62 Cb 1.19 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 2wh6 h SER 62 CO 0.26 -0.24 -0.70 -0.08 -0.53 0.00 0.00 176.83 175.54 2wh6 h GLU 63 N -0.12 0.74 -0.61 2.24 4.57 -1.88 -1.37 114.58 118.15 2wh6 h GLU 63 Ca 0.21 -0.56 -0.05 0.00 -1.18 0.00 0.00 59.36 57.78 2wh6 h GLU 63 Cb 0.45 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 2wh6 h GLU 63 CO -0.52 1.18 0.18 1.15 -1.18 0.00 0.00 179.01 179.81 2wh6 h THR 64 N 0.53 1.23 -0.42 0.32 2.02 -1.81 0.14 112.91 114.92 2wh6 h THR 64 Ca -0.03 -0.82 -0.08 0.00 0.77 0.00 0.00 66.41 66.25 2wh6 h THR 64 Cb 1.31 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 2wh6 h THR 64 CO 0.14 0.31 -0.06 -0.26 0.37 0.00 0.00 175.52 176.03 2wh6 h PHE 65 N 0.90 0.87 -0.16 3.16 -1.00 -0.73 -0.34 116.94 119.65 2wh6 h PHE 65 Ca 0.20 -0.17 0.02 0.00 2.81 0.00 0.00 57.97 60.83 2wh6 h PHE 65 Cb 0.28 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.60 2wh6 h PHE 65 CO 0.02 0.88 0.03 1.15 -1.61 0.00 0.00 178.31 178.78 2wh6 h THR 66 N 0.61 0.94 -0.24 -1.55 2.02 -0.79 -1.83 112.91 112.06 2wh6 h THR 66 Ca 0.11 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 2wh6 h THR 66 Cb 0.57 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2wh6 h THR 66 CO 0.03 0.02 0.05 -0.33 0.37 0.00 0.00 175.52 175.66 2wh6 h GLU 67 N 0.10 0.39 -0.61 6.66 5.08 -0.64 -0.65 114.58 124.92 2wh6 h GLU 67 Ca 0.07 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2wh6 h GLU 67 Cb 0.06 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2wh6 h GLU 67 CO -0.09 0.51 0.25 1.79 -1.00 0.00 0.00 179.01 180.47 2wh6 h THR 68 N 0.21 1.23 -0.26 1.13 1.35 -1.09 -0.04 112.91 115.45 2wh6 h THR 68 Ca 0.07 -0.71 -0.05 0.00 -0.55 0.00 0.00 66.41 65.17 2wh6 h THR 68 Cb 0.30 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 67.28 2wh6 h THR 68 CO 0.00 0.28 -0.05 -0.25 -0.25 0.00 0.00 175.52 175.25 2wh6 h TRP 69 N 0.84 0.55 -0.93 4.73 2.91 -1.27 -1.30 115.95 121.47 2wh6 h TRP 69 Ca 0.20 -0.12 0.00 0.00 1.13 0.00 0.00 58.89 60.11 2wh6 h TRP 69 Cb 0.20 -0.13 -0.05 0.00 -0.51 0.00 0.00 29.16 28.67 2wh6 h TRP 69 CO 0.01 0.70 0.59 -0.91 -1.03 0.00 0.00 178.44 177.80 2wh6 h ASN 70 N 0.24 1.10 -0.67 2.65 2.35 -0.93 -0.87 115.58 119.44 2wh6 h ASN 70 Ca 0.07 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 2wh6 h ASN 70 Cb 0.52 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 2wh6 h ASN 70 CO 0.02 0.82 0.18 -0.09 -1.65 0.00 0.00 177.43 176.71 2wh6 h ARG 71 N 1.28 1.07 0.36 0.81 2.43 -0.88 -2.16 114.38 117.29 2wh6 h ARG 71 Ca 0.34 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2wh6 h ARG 71 Cb -0.10 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.31 2wh6 h ARG 71 CO -0.07 0.95 -0.17 0.35 -1.51 0.00 0.00 179.97 179.52 2wh6 h PHE 72 N 1.00 -0.44 0.00 2.20 3.04 -0.59 -2.51 116.94 119.64 2wh6 h PHE 72 Ca 0.21 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.08 2wh6 h PHE 72 Cb 0.35 0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.00 2wh6 h PHE 72 CO 0.03 -0.20 -0.35 0.97 -2.02 0.00 0.00 178.31 176.74 2wh6 h ILE 73 N -0.60 0.75 0.00 1.41 6.09 -1.13 -1.72 117.51 122.30 2wh6 h ILE 73 Ca -0.05 -1.55 0.00 0.00 -1.37 0.00 0.00 64.86 61.90 2wh6 h ILE 73 Cb 0.44 2.00 0.00 0.00 0.47 0.00 0.00 36.82 39.73 2wh6 h ILE 73 CO 0.08 0.34 -0.43 0.35 -3.07 0.00 0.00 178.15 175.42 2wh6 n THR 74 N -3.40 0.02 0.17 2.19 -2.24 -0.82 -4.04 114.28 106.16 2wh6 n THR 74 Ca 0.01 -0.01 0.07 0.00 -2.27 0.00 0.00 64.05 61.84 2wh6 n THR 74 Cb 0.54 0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.78 2wh6 n THR 74 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2wh6 n HIS 75 N -1.53 0.00 -2.56 4.78 8.25 -0.95 -5.03 115.22 118.18 2wh6 n HIS 75 Ca 0.06 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.13 2wh6 n HIS 75 Cb 0.34 -0.24 -0.05 0.00 1.12 0.00 0.00 29.99 31.16 2wh6 n HIS 75 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2wh6 s THR 76 N -2.82 3.71 -1.20 1.59 -1.32 -0.68 -4.94 115.64 109.98 2wh6 s THR 76 Ca -0.02 1.55 0.12 0.00 -1.21 0.00 0.00 61.69 62.12 2wh6 s THR 76 Cb 0.10 -3.92 0.03 0.00 -1.51 0.00 0.00 72.50 67.20 2wh6 s THR 76 CO 0.59 0.25 0.75 -0.62 -2.21 0.00 0.00 174.62 173.38 2wh6 n GLU 77 N 0.77 1.49 -3.22 7.08 1.02 -1.26 -4.82 120.64 121.71 2wh6 n GLU 77 Ca 0.01 -0.86 -0.01 0.00 -0.02 0.00 0.00 57.16 56.28 2wh6 n GLU 77 Cb 0.47 -1.16 -0.02 0.00 -0.02 0.00 0.00 31.44 30.71 2wh6 n GLU 77 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2wh6 s HIS 78 N -1.29 -1.57 0.14 -0.32 -3.43 -1.26 -5.06 115.29 102.50 2wh6 s HIS 78 Ca 0.11 0.11 -0.17 0.00 -0.80 0.00 0.00 55.06 54.31 2wh6 s HIS 78 Cb 0.09 0.23 -0.01 0.00 -1.43 0.00 0.00 32.58 31.47 2wh6 s HIS 78 CO 0.23 -1.16 1.80 0.28 -2.00 0.00 0.00 174.74 173.90 2wh6 h VAL 79 N 5.00 1.09 -0.39 -5.38 2.07 -1.92 -2.22 116.25 114.51 2wh6 h VAL 79 Ca 0.05 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 2wh6 h VAL 79 Cb 1.16 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2wh6 h VAL 79 CO 0.11 0.09 -0.03 -2.24 0.02 0.00 0.00 177.57 175.52 2wh6 h ASP 80 N 0.47 0.70 -1.00 0.57 2.03 -1.94 -2.78 116.42 114.46 2wh6 h ASP 80 Ca 0.13 -0.33 0.07 0.00 -0.73 0.00 0.00 57.03 56.17 2wh6 h ASP 80 Cb -0.05 -0.19 -0.07 0.00 -0.83 0.00 0.00 39.33 38.19 2wh6 h ASP 80 CO -0.03 0.86 0.65 -0.07 -1.03 0.00 0.00 179.24 179.62 2wh6 h LEU 81 N 0.53 1.02 -1.44 0.15 3.38 -1.85 -2.73 115.31 114.36 2wh6 h LEU 81 Ca 0.11 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2wh6 h LEU 81 Cb 0.52 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2wh6 h LEU 81 CO 0.03 0.63 -0.22 0.44 0.09 0.00 0.00 178.44 179.41 2wh6 h ASP 82 N 1.15 0.00 -0.80 -0.43 3.32 -1.13 -2.07 116.42 116.46 2wh6 h ASP 82 Ca 0.44 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.46 2wh6 h ASP 82 Cb 0.22 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 2wh6 h ASP 82 CO -0.19 0.22 0.36 -0.26 -1.72 0.00 0.00 179.24 177.65 2wh6 h PHE 83 N 0.00 1.18 -0.91 4.55 -1.00 -1.37 -2.61 116.94 116.79 2wh6 h PHE 83 Ca -0.00 -0.07 0.03 0.00 2.81 0.00 0.00 57.97 60.74 2wh6 h PHE 83 Cb 0.59 -0.36 -0.05 0.00 3.61 0.00 0.00 35.95 39.73 2wh6 h PHE 83 CO 0.00 0.87 0.60 -0.97 -1.61 0.00 0.00 178.31 177.20 2wh6 h ASN 84 N 1.16 1.00 -0.54 2.17 -1.24 -1.46 -1.92 115.58 114.74 2wh6 h ASN 84 Ca 0.27 -0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.22 2wh6 h ASN 84 Cb 0.16 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 2wh6 h ASN 84 CO -0.03 0.69 0.14 0.28 -1.29 0.00 0.00 177.43 177.23 2wh6 h SER 85 N 1.16 0.81 -0.23 1.15 0.02 -1.48 -1.64 113.55 113.34 2wh6 h SER 85 Ca 0.35 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2wh6 h SER 85 Cb -0.02 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 2wh6 h SER 85 CO -0.10 0.82 0.14 0.58 -1.14 0.00 0.00 176.83 177.13 2wh6 h VAL 86 N 0.76 1.09 0.04 2.27 2.07 -1.40 -2.62 116.25 118.45 2wh6 h VAL 86 Ca 0.17 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.51 2wh6 h VAL 86 Cb 0.32 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2wh6 h VAL 86 CO -0.00 0.08 -0.30 0.15 0.02 0.00 0.00 177.57 177.53 2wh6 h PHE 87 N 0.28 -0.81 -0.61 1.57 3.57 -1.17 -2.55 116.94 117.21 2wh6 h PHE 87 Ca 0.08 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2wh6 h PHE 87 Cb 0.02 0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 2wh6 h PHE 87 CO -0.05 -0.40 0.31 -0.07 -2.23 0.00 0.00 178.31 175.88 2wh6 h LEU 88 N -0.47 0.77 -1.90 0.59 3.38 -1.25 -1.62 115.31 114.81 2wh6 h LEU 88 Ca 0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2wh6 h LEU 88 Cb 0.54 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2wh6 h LEU 88 CO -0.23 0.64 -0.04 -0.33 0.09 0.00 0.00 178.44 178.57 2wh6 h GLU 89 N 0.86 0.00 0.05 1.13 4.39 -1.25 -0.71 114.58 119.05 2wh6 h GLU 89 Ca 0.22 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.74 2wh6 h GLU 89 Cb 0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2wh6 h GLU 89 CO -0.03 0.04 -0.91 0.82 -1.16 0.00 0.00 179.01 177.76 2wh6 h ILE 90 N 0.00 1.26 0.00 3.13 2.04 -0.92 -3.40 117.51 119.63 2wh6 h ILE 90 Ca -0.00 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.52 2wh6 h ILE 90 Cb 0.37 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 2wh6 h ILE 90 CO 0.00 0.57 -1.68 0.49 0.00 0.00 0.00 178.15 177.53 2wh6 n PHE 91 N -4.27 0.15 -0.85 1.37 3.72 -0.72 -3.97 117.46 112.89 2wh6 n PHE 91 Ca -0.22 0.04 0.08 0.00 -0.05 0.00 0.00 57.45 57.31 2wh6 n PHE 91 Cb 0.72 -0.50 0.34 0.00 -0.94 0.00 0.00 39.48 39.10 2wh6 n PHE 91 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2wh6 n HIS 92 N -2.21 1.57 -3.16 1.38 8.25 -0.29 -4.19 115.22 116.58 2wh6 n HIS 92 Ca -0.02 -0.74 -0.33 0.00 -0.26 0.00 0.00 57.72 56.37 2wh6 n HIS 92 Cb 0.53 -0.38 -0.04 0.00 1.12 0.00 0.00 29.99 31.22 2wh6 n HIS 92 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2wh6 n ARG 93 N 0.39 3.45 0.00 -0.41 5.12 -1.26 -4.97 116.66 118.98 2wh6 n ARG 93 Ca 0.25 -4.68 0.00 0.00 -1.93 0.00 0.00 57.85 51.49 2wh6 n ARG 93 Cb 1.02 -2.34 0.00 0.00 -1.16 0.00 0.00 32.46 29.98 2wh6 n ARG 93 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wh6 n GLY 94 N 0.71 1.75 3.74 -0.13 0.00 -1.26 -5.01 105.19 104.98 2wh6 n GLY 94 Ca 0.31 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.02 2wh6 n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wh6 s ASP 95 N -0.05 4.75 0.61 1.61 1.11 -1.26 -4.83 116.67 118.61 2wh6 s ASP 95 Ca 0.00 2.56 -0.17 0.00 0.18 0.00 0.00 52.55 55.12 2wh6 s ASP 95 Cb 0.00 -2.61 -0.02 0.00 1.07 0.00 0.00 42.92 41.35 2wh6 s ASP 95 CO 0.00 -1.90 1.13 -2.84 1.18 0.00 0.00 175.17 172.74 2wh6 s PRO 96 N -3.37 2.99 0.15 8.23 0.02 -1.26 -5.00 135.00 136.76 2wh6 s PRO 96 Ca 0.81 1.53 0.01 0.00 0.02 0.00 0.00 61.00 63.37 2wh6 s PRO 96 Cb -0.36 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.16 2wh6 s PRO 96 CO 0.38 -1.12 0.01 -1.54 -0.33 0.00 0.00 177.00 174.40 2wh6 s SER 97 N -2.17 0.93 0.16 2.53 1.04 -1.26 -5.05 113.70 109.89 2wh6 s SER 97 Ca 0.70 -1.17 -0.15 0.00 0.48 0.00 0.00 55.95 55.81 2wh6 s SER 97 Cb -0.23 0.17 0.08 0.00 0.10 0.00 0.00 66.02 66.14 2wh6 s SER 97 CO 0.35 -0.61 1.78 0.25 0.98 0.00 0.00 173.24 175.99 2wh6 h LEU 98 N 2.77 0.29 -0.47 2.42 5.85 -1.99 -1.02 115.31 123.17 2wh6 h LEU 98 Ca -0.36 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.40 2wh6 h LEU 98 Cb 1.20 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 2wh6 h LEU 98 CO 0.62 0.21 0.29 1.23 -0.34 0.00 0.00 178.44 180.45 2wh6 h GLY 99 N 0.42 0.66 1.15 3.75 0.00 -1.98 0.07 103.07 107.14 2wh6 h GLY 99 Ca 0.18 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 2wh6 h GLY 99 CO -0.13 0.20 -0.10 3.21 0.00 0.00 0.00 176.54 179.72 2wh6 h ARG 100 N 0.59 0.99 -0.37 4.80 3.08 -1.91 0.11 114.38 121.67 2wh6 h ARG 100 Ca 0.18 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 2wh6 h ARG 100 Cb -0.02 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2wh6 h ARG 100 CO -0.07 1.03 0.21 0.00 -1.07 0.00 0.00 179.97 180.08 2wh6 h ALA 101 N 0.99 0.48 -0.42 0.04 0.00 -0.78 -0.80 119.26 118.77 2wh6 h ALA 101 Ca 0.14 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2wh6 h ALA 101 Cb 0.65 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2wh6 h ALA 101 CO 0.05 -0.00 -0.18 -0.07 0.00 0.00 0.00 179.25 179.04 2wh6 h LEU 102 N 0.48 0.81 -0.46 0.00 3.38 -0.84 -1.58 115.31 117.10 2wh6 h LEU 102 Ca 0.13 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.83 2wh6 h LEU 102 Cb 0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2wh6 h LEU 102 CO -0.02 0.98 0.29 0.00 0.09 0.00 0.00 178.44 179.78 2wh6 h ALA 103 N 1.08 0.58 -0.25 1.53 0.00 -0.46 0.77 119.26 122.50 2wh6 h ALA 103 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wh6 h ALA 103 Cb 0.69 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2wh6 h ALA 103 CO 0.05 0.00 0.15 2.35 0.00 0.00 0.00 179.25 181.80 2wh6 h TRP 104 N 0.59 0.34 -0.73 0.00 2.91 -0.97 -0.99 115.95 117.10 2wh6 h TRP 104 Ca 0.17 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.13 2wh6 h TRP 104 Cb -0.04 -0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 28.47 2wh6 h TRP 104 CO -0.05 0.27 0.24 0.52 -1.03 0.00 0.00 178.44 178.38 2wh6 h MET 105 N 0.31 1.14 -0.58 2.65 0.00 -0.99 -0.11 114.93 117.35 2wh6 h MET 105 Ca 0.09 -0.24 -0.06 0.00 0.00 0.00 0.00 59.70 59.49 2wh6 h MET 105 Cb 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 31.60 31.44 2wh6 h MET 105 CO -0.02 0.97 0.13 0.00 0.00 0.00 0.00 176.91 177.99 2wh6 h ALA 106 N 1.12 0.76 -0.79 6.32 0.00 -0.76 0.40 119.26 126.32 2wh6 h ALA 106 Ca 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2wh6 h ALA 106 Cb 0.30 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2wh6 h ALA 106 CO -0.01 0.48 0.44 2.35 0.00 0.00 0.00 179.25 182.51 2wh6 h TRP 107 N 0.84 1.07 -0.30 0.00 7.01 -0.76 0.55 115.95 124.35 2wh6 h TRP 107 Ca 0.18 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 2wh6 h TRP 107 Cb 0.36 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 2wh6 h TRP 107 CO 0.03 0.74 0.07 0.00 -2.79 0.00 0.00 178.44 176.49 2wh6 h MET 109 N 0.32 1.15 -0.72 0.00 1.85 -0.65 -0.34 114.93 116.53 2wh6 h MET 109 Ca 0.09 -0.20 -0.04 0.00 -0.61 0.00 0.00 59.70 58.94 2wh6 h MET 109 Cb 0.29 -0.19 -0.03 0.00 0.43 0.00 0.00 31.60 32.10 2wh6 h MET 109 CO 0.00 0.93 0.28 1.25 -0.40 0.00 0.00 176.91 178.97 2wh6 h HIS 110 N 1.12 1.08 -0.16 1.39 6.17 -0.73 -0.53 115.15 123.48 2wh6 h HIS 110 Ca 0.26 -0.08 -0.01 0.00 0.71 0.00 0.00 60.37 61.25 2wh6 h HIS 110 Cb 0.21 -0.32 -0.01 0.00 2.52 0.00 0.00 27.41 29.81 2wh6 h HIS 110 CO 0.02 0.83 0.07 0.00 0.71 0.00 0.00 177.93 179.55 2wh6 h ALA 111 N 1.26 0.21 -0.78 5.26 0.00 -0.46 -0.72 119.26 124.03 2wh6 h ALA 111 Ca 0.24 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2wh6 h ALA 111 Cb 0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2wh6 h ALA 111 CO -0.02 -0.21 0.51 0.00 0.00 0.00 0.00 179.25 179.53 2wh6 h ARG 113 N 1.02 0.66 -0.54 0.00 2.43 -0.86 -0.03 114.38 117.06 2wh6 h ARG 113 Ca 0.29 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 2wh6 h ARG 113 Cb -0.08 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.30 2wh6 h ARG 113 CO -0.08 0.44 0.30 1.15 -1.51 0.00 0.00 179.97 180.27 2wh6 h THR 114 N 0.67 1.18 -0.58 0.20 2.02 -0.70 -0.97 112.91 114.73 2wh6 h THR 114 Ca 0.18 -0.47 -0.10 0.00 0.77 0.00 0.00 66.41 66.79 2wh6 h THR 114 Cb -0.07 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 2wh6 h THR 114 CO -0.04 0.20 -0.04 -0.07 0.37 0.00 0.00 175.52 175.94 2wh6 h LEU 115 N 0.73 1.04 0.00 2.58 3.38 -0.91 -2.78 115.31 119.35 2wh6 h LEU 115 Ca 0.19 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 2wh6 h LEU 115 Cb 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2wh6 h LEU 115 CO -0.03 1.11 -0.41 0.00 0.09 0.00 0.00 178.44 179.21 2wh6 s ASN 118 N -6.57 6.24 0.64 0.00 3.84 -1.06 -4.90 114.94 113.14 2wh6 s ASN 118 Ca 0.02 -0.78 0.38 0.00 0.21 0.00 0.00 52.86 52.69 2wh6 s ASN 118 Cb 0.10 -2.40 2.13 0.00 -0.55 0.00 0.00 41.25 40.52 2wh6 s ASN 118 CO 0.76 -1.27 2.27 1.56 -2.79 0.00 0.00 177.10 177.62 2wh6 h GLN 119 N 9.37 0.00 0.00 0.43 4.20 -1.86 -1.73 115.11 125.53 2wh6 h GLN 119 Ca -0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.43 2wh6 h GLN 119 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 2wh6 h GLN 119 CO 1.11 0.00 -0.27 0.66 -0.67 0.00 0.00 178.83 179.66 2wh6 h SER 120 N 0.00 0.00 -2.41 1.46 4.64 -1.94 -3.47 113.55 111.83 2wh6 h SER 120 Ca 0.01 -0.08 -0.55 0.00 -0.47 0.00 0.00 61.79 60.70 2wh6 h SER 120 Cb 0.14 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.27 2wh6 h SER 120 CO -0.00 0.04 1.08 0.41 -0.87 0.00 0.00 176.83 177.49 2wh6 n THR 121 N -2.26 0.36 -1.84 2.95 -1.04 -0.65 -4.93 114.28 106.87 2wh6 n THR 121 Ca 0.04 -0.06 -0.40 0.00 -2.04 0.00 0.00 64.05 61.59 2wh6 n THR 121 Cb 0.44 -2.04 0.01 0.00 -1.82 0.00 0.00 70.33 66.93 2wh6 n THR 121 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2wh6 s PRO 122 N 2.73 3.75 0.21 -2.82 0.02 -1.26 -4.89 135.00 132.74 2wh6 s PRO 122 Ca 0.83 2.39 -0.13 0.00 0.02 0.00 0.00 61.00 64.11 2wh6 s PRO 122 Cb -0.52 -2.69 0.25 0.00 0.02 0.00 0.00 34.50 31.56 2wh6 s PRO 122 CO 0.39 -0.76 1.62 -0.92 -0.33 0.00 0.00 177.00 177.00 2wh6 h TYR 123 N 2.41 -0.36 0.00 6.54 3.20 -1.98 -1.21 116.97 125.58 2wh6 h TYR 123 Ca -0.51 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.39 2wh6 h TYR 123 Cb 1.26 0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.79 2wh6 h TYR 123 CO 0.51 -0.29 -0.13 0.10 -1.64 0.00 0.00 178.16 176.71 2wh6 h TYR 124 N -0.00 0.00 -0.13 -3.82 -0.00 -1.99 0.02 116.97 111.06 2wh6 h TYR 124 Ca 0.31 0.00 -0.17 0.00 -0.00 0.00 0.00 58.73 58.88 2wh6 h TYR 124 Cb 0.48 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.22 2wh6 h TYR 124 CO -0.54 0.13 -0.57 0.28 -0.00 0.00 0.00 178.16 177.47 2wh6 h VAL 125 N 0.00 1.34 -0.42 -0.90 2.07 -1.59 -0.50 116.25 116.25 2wh6 h VAL 125 Ca -0.00 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.67 2wh6 h VAL 125 Cb 0.26 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 2wh6 h VAL 125 CO 0.02 0.57 0.26 0.58 0.02 0.00 0.00 177.57 179.02 2wh6 h VAL 126 N 0.26 1.12 0.39 2.57 2.07 -1.16 -1.81 116.25 119.68 2wh6 h VAL 126 Ca -0.03 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2wh6 h VAL 126 Cb 1.20 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2wh6 h VAL 126 CO 0.12 0.12 -0.19 -0.78 0.02 0.00 0.00 177.57 176.86 2wh6 h ASP 127 N 0.56 -0.44 0.34 0.57 1.82 -0.89 -0.74 116.42 117.64 2wh6 h ASP 127 Ca 0.15 -0.06 -0.07 0.00 -0.39 0.00 0.00 57.03 56.66 2wh6 h ASP 127 Cb -0.03 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.09 2wh6 h ASP 127 CO -0.03 -0.22 -0.34 -0.07 -1.61 0.00 0.00 179.24 176.97 2wh6 h LEU 128 N -0.65 0.00 -0.12 2.28 3.38 -1.13 -0.74 115.31 118.33 2wh6 h LEU 128 Ca -0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2wh6 h LEU 128 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2wh6 h LEU 128 CO 0.09 0.34 -0.18 0.28 0.09 0.00 0.00 178.44 179.06 2wh6 h SER 129 N 0.00 0.36 -0.44 -0.43 0.02 -1.09 0.73 113.55 112.70 2wh6 h SER 129 Ca -0.00 -0.53 -0.06 0.00 -0.84 0.00 0.00 61.79 60.35 2wh6 h SER 129 Cb 0.60 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 2wh6 h SER 129 CO 0.04 0.82 0.02 0.58 -1.14 0.00 0.00 176.83 177.16 2wh6 h VAL 130 N -0.09 1.26 -0.69 2.27 2.07 -0.84 0.16 116.25 120.38 2wh6 h VAL 130 Ca 0.01 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.56 2wh6 h VAL 130 Cb 0.75 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 2wh6 h VAL 130 CO 0.04 0.34 0.45 0.03 0.02 0.00 0.00 177.57 178.45 2wh6 h ARG 131 N 0.60 0.87 -0.38 1.57 3.08 -1.14 -1.40 114.38 117.58 2wh6 h ARG 131 Ca 0.13 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2wh6 h ARG 131 Cb 0.46 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2wh6 h ARG 131 CO 0.02 0.57 0.22 0.78 -1.07 0.00 0.00 179.97 180.49 2wh6 h GLY 132 N 0.89 0.56 1.19 0.04 0.00 -0.47 0.15 103.07 105.44 2wh6 h GLY 132 Ca 0.27 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.22 2wh6 h GLY 132 CO -0.08 0.23 -0.28 0.00 0.00 0.00 0.00 176.54 176.42 2wh6 h MET 133 N 0.50 0.91 -0.31 4.80 -0.00 -0.76 -1.01 114.93 119.05 2wh6 h MET 133 Ca 0.14 -0.41 -0.05 0.00 -0.00 0.00 0.00 59.70 59.37 2wh6 h MET 133 Cb 0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 2wh6 h MET 133 CO -0.02 1.07 -0.00 -0.07 -0.00 0.00 0.00 176.91 177.88 2wh6 h LEU 134 N 0.77 0.54 -0.52 -0.10 3.38 -1.06 -1.77 115.31 116.56 2wh6 h LEU 134 Ca 0.09 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 2wh6 h LEU 134 Cb 0.84 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2wh6 h LEU 134 CO 0.07 0.72 0.06 -0.33 0.09 0.00 0.00 178.44 179.06 2wh6 h GLU 135 N 0.35 0.88 -0.45 1.13 5.08 -0.89 -2.94 114.58 117.73 2wh6 h GLU 135 Ca 0.09 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 2wh6 h GLU 135 Cb 0.45 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2wh6 h GLU 135 CO 0.02 0.87 -0.09 0.00 -1.00 0.00 0.00 179.01 178.81 2wh6 h ALA 136 N 0.97 1.01 0.00 3.43 0.00 -1.15 -2.83 119.26 120.69 2wh6 h ALA 136 Ca 0.16 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2wh6 h ALA 136 Cb 0.43 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2wh6 h ALA 136 CO 0.01 0.60 -0.01 0.77 0.00 0.00 0.00 179.25 180.63 2wh6 h SER 137 N 0.72 0.00 -0.24 0.00 0.02 -1.14 -1.63 113.55 111.28 2wh6 h SER 137 Ca 0.13 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.15 2wh6 h SER 137 Cb 0.56 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2wh6 h SER 137 CO 0.03 0.01 0.32 -0.33 -1.14 0.00 0.00 176.83 175.72 2wh6 h GLU 138 N 0.00 0.00 0.00 3.45 5.08 -1.42 -0.56 114.58 121.12 2wh6 h GLU 138 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wh6 h GLU 138 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2wh6 h GLU 138 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 2wh6 n GLY 139 N -1.39 -0.96 0.02 -3.84 0.00 -0.61 -1.78 105.19 96.61 2wh6 n GLY 139 Ca 0.03 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.22 2wh6 n GLY 139 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wh6 n LEU 140 N -1.83 0.40 -0.34 0.99 4.77 -0.22 -4.38 117.00 116.39 2wh6 n LEU 140 Ca 0.02 0.26 -0.03 0.00 -0.03 0.00 0.00 56.01 56.22 2wh6 n LEU 140 Cb 0.13 -0.33 0.09 0.00 -2.33 0.00 0.00 43.42 40.99 2wh6 n LEU 140 CO 0.12 0.02 1.23 0.44 -1.33 0.00 0.00 177.39 177.88 2wh6 h ASP 141 N 0.00 1.06 -0.09 -1.43 3.32 -1.52 -0.38 116.42 117.37 2wh6 h ASP 141 Ca 0.00 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2wh6 h ASP 141 Cb 0.56 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 2wh6 h ASP 141 CO 0.00 0.79 0.05 1.23 -1.72 0.00 0.00 179.24 179.60 2wh6 h GLY 142 N 1.23 0.14 1.29 2.75 0.00 -1.80 -1.41 103.07 105.27 2wh6 h GLY 142 Ca 0.33 -0.06 -0.18 0.00 0.00 0.00 0.00 47.33 47.42 2wh6 h GLY 142 CO -0.07 0.06 -0.56 -0.25 0.00 0.00 0.00 176.54 175.73 2wh6 h TRP 143 N 0.07 0.94 -0.01 5.60 7.01 -1.76 -2.56 115.95 125.25 2wh6 h TRP 143 Ca 0.03 -0.34 -0.14 0.00 2.11 0.00 0.00 58.89 60.55 2wh6 h TRP 143 Cb 0.06 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 26.92 2wh6 h TRP 143 CO -0.05 1.13 -0.66 -0.84 -2.79 0.00 0.00 178.44 175.23 2wh6 h ILE 144 N 0.57 1.46 -0.91 2.65 -0.00 -0.96 -1.94 117.51 118.37 2wh6 h ILE 144 Ca 0.01 -2.22 0.03 0.00 -0.00 0.00 0.00 64.86 62.68 2wh6 h ILE 144 Cb 1.14 2.19 -0.05 0.00 -0.00 0.00 0.00 36.82 40.10 2wh6 h ILE 144 CO 0.12 0.64 0.59 -0.74 -0.00 0.00 0.00 178.15 178.76 2wh6 h HIS 145 N 0.04 1.11 0.00 0.16 2.76 -1.18 -0.07 115.15 117.97 2wh6 h HIS 145 Ca -0.01 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2wh6 h HIS 145 Cb 1.17 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 29.76 2wh6 h HIS 145 CO 0.01 0.66 0.00 1.96 -1.30 0.00 0.00 177.93 179.26 2wh6 h GLN 146 N 1.17 0.00 -0.42 5.26 4.20 -0.93 -0.72 115.11 123.67 2wh6 h GLN 146 Ca 0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.06 2wh6 h GLN 146 Cb -0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2wh6 h GLN 146 CO -0.10 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.10 2wh6 n GLN 147 N -2.86 2.37 -0.70 1.46 1.13 -0.20 -4.93 117.38 113.65 2wh6 n GLN 147 Ca -0.02 -2.08 0.00 0.00 -1.94 0.00 0.00 57.00 52.96 2wh6 n GLN 147 Cb 0.10 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.96 2wh6 n GLN 147 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wh6 n GLY 148 N 1.44 0.61 0.00 1.08 0.00 -0.27 -4.53 105.19 103.52 2wh6 n GLY 148 Ca 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2wh6 n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh6 n GLY 149 N -2.70 -0.61 0.36 -0.02 0.00 -0.30 -4.10 105.19 97.83 2wh6 n GLY 149 Ca 0.00 -1.67 0.03 0.00 0.00 0.00 0.00 46.02 44.38 2wh6 n GLY 149 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2wh6 h TRP 150 N 0.00 1.15 -0.35 1.61 4.06 -1.85 -2.54 115.95 118.03 2wh6 h TRP 150 Ca 0.00 0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.92 2wh6 h TRP 150 Cb 0.00 -0.37 -0.01 0.00 -1.00 0.00 0.00 29.16 27.77 2wh6 h TRP 150 CO 0.00 0.56 -0.01 0.77 -3.56 0.00 0.00 178.44 176.20 2wh6 h SER 151 N 1.10 0.61 -0.43 -3.49 0.02 -1.96 -2.73 113.55 106.68 2wh6 h SER 151 Ca 0.44 -0.31 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 2wh6 h SER 151 Cb 0.24 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 2wh6 h SER 151 CO -0.20 0.78 0.19 0.74 -1.14 0.00 0.00 176.83 177.20 2wh6 h THR 152 N 0.42 0.93 -0.64 -2.27 2.02 -1.66 -2.06 112.91 109.65 2wh6 h THR 152 Ca 0.10 -0.13 0.05 0.00 0.77 0.00 0.00 66.41 67.19 2wh6 h THR 152 Cb 0.47 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 2wh6 h THR 152 CO 0.02 0.07 0.37 -0.07 0.37 0.00 0.00 175.52 176.28 2wh6 h LEU 153 N 0.38 0.57 -0.12 2.58 3.38 -1.28 -0.28 115.31 120.53 2wh6 h LEU 153 Ca 0.19 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 58.01 2wh6 h LEU 153 Cb 0.13 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.80 2wh6 h LEU 153 CO -0.16 0.38 -0.60 -0.29 0.09 0.00 0.00 178.44 177.86 2wh6 h ILE 154 N 0.70 1.34 -0.15 1.22 6.09 -1.38 -0.09 117.51 125.24 2wh6 h ILE 154 Ca 0.28 -1.88 -0.11 0.00 -1.37 0.00 0.00 64.86 61.78 2wh6 h ILE 154 Cb 0.12 2.12 -0.01 0.00 0.47 0.00 0.00 36.82 39.52 2wh6 h ILE 154 CO -0.15 0.58 -0.40 -0.33 -3.07 0.00 0.00 178.15 174.77 2wh6 h GLU 155 N 0.26 0.34 0.00 2.19 5.08 -1.17 -3.34 114.58 117.94 2wh6 h GLU 155 Ca -0.04 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2wh6 h GLU 155 Cb 1.24 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2wh6 h GLU 155 CO 0.12 0.69 -0.92 -0.25 -1.00 0.00 0.00 179.01 177.66 2wh6 n ASP 156 N -4.03 4.58 -0.00 1.42 8.00 -0.13 -4.87 116.55 121.52 2wh6 n ASP 156 Ca -0.01 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.50 2wh6 n ASP 156 Cb 0.49 0.85 -0.02 0.00 -0.02 0.00 0.00 41.12 42.42 2wh6 n ASP 156 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2wh6 n ASN 157 N -1.45 4.47 -0.11 -2.24 3.02 -0.18 -5.04 115.26 113.73 2wh6 n ASN 157 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.56 2wh6 n ASN 157 Cb 0.07 1.09 0.01 0.00 -0.61 0.00 0.00 39.78 40.34 2wh6 n ASN 157 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26