#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r31 s ASP 4 N 0.00 5.01 -0.10 1.96 -1.08 -1.26 -4.44 116.67 116.76 1r31 s ASP 4 Ca 0.00 -1.21 0.11 0.00 -0.52 0.00 0.00 52.55 50.93 1r31 s ASP 4 Cb 0.00 -1.76 0.51 0.00 -1.46 0.00 0.00 42.92 40.20 1r31 s ASP 4 CO 0.00 -0.28 1.34 -1.54 0.52 0.00 0.00 175.17 175.21 1r31 n SER 5 N 4.69 3.62 0.17 -0.34 3.41 -1.26 -4.45 113.62 119.45 1r31 n SER 5 Ca -0.13 -2.41 0.02 0.00 -0.26 0.00 0.00 58.87 56.10 1r31 n SER 5 Cb 0.44 -0.52 0.31 0.00 -0.26 0.00 0.00 64.21 64.17 1r31 n SER 5 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1r31 h ARG 6 N 2.71 0.00 -6.63 4.33 3.08 -1.94 0.50 114.38 116.44 1r31 h ARG 6 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 1r31 h ARG 6 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1r31 h ARG 6 CO 0.22 0.45 -0.97 1.28 -1.07 0.00 0.00 179.97 179.87 1r31 n LEU 7 N -3.88 -2.02 -4.74 3.04 4.77 -1.26 -4.50 117.00 108.41 1r31 n LEU 7 Ca -0.01 -0.97 -0.42 0.00 -0.03 0.00 0.00 56.01 54.58 1r31 n LEU 7 Cb 0.49 -1.84 -0.02 0.00 -2.33 0.00 0.00 43.42 39.73 1r31 n LEU 7 CO 0.39 0.36 1.22 -2.65 -1.33 0.00 0.00 177.39 175.38 1r31 n PRO 8 N -3.24 2.65 -0.85 3.23 -0.02 -1.26 -2.39 135.00 133.12 1r31 n PRO 8 Ca -0.23 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1r31 n PRO 8 Cb 0.64 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1r31 n PRO 8 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r31 n ALA 9 N 2.01 0.00 -0.34 3.55 0.00 -1.26 -4.86 120.51 119.61 1r31 n ALA 9 Ca 0.08 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.73 1r31 n ALA 9 Cb 0.36 -0.79 0.44 0.00 0.00 0.00 0.00 19.45 19.47 1r31 n ALA 9 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1r31 h PHE 10 N 0.00 0.94 -0.63 0.00 3.57 -1.83 -0.39 116.94 118.60 1r31 h PHE 10 Ca 0.00 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.66 1r31 h PHE 10 Cb 0.32 -0.26 -0.10 0.00 2.79 0.00 0.00 35.95 38.70 1r31 h PHE 10 CO 0.20 -0.04 0.08 0.00 -2.23 0.00 0.00 178.31 176.32 1r31 h ARG 11 N 0.45 0.19 -0.02 1.11 3.08 -1.89 -2.57 114.38 114.73 1r31 h ARG 11 Ca 0.68 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.72 1r31 h ARG 11 Cb 1.47 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.48 1r31 h ARG 11 CO -0.51 0.12 0.00 0.09 -1.07 0.00 0.00 179.97 178.60 1r31 n ASN 12 N -5.20 1.97 -4.78 7.04 3.02 -0.18 -4.93 115.26 112.19 1r31 n ASN 12 Ca 0.10 -1.66 -0.30 0.00 -0.03 0.00 0.00 54.58 52.69 1r31 n ASN 12 Cb 0.36 -0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.63 1r31 n ASN 12 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r31 s LEU 13 N -2.00 2.67 0.56 3.41 1.43 -0.97 -5.05 118.68 118.74 1r31 s LEU 13 Ca 0.35 1.49 -0.06 0.00 -1.03 0.00 0.00 54.13 54.88 1r31 s LEU 13 Cb 0.21 -4.11 -0.01 0.00 0.03 0.00 0.00 46.19 42.31 1r31 s LEU 13 CO 0.32 -2.06 0.88 -0.94 0.23 0.00 0.00 176.35 174.78 1r31 s SER 14 N -3.68 5.81 0.26 2.29 1.04 -1.26 -4.84 113.70 113.32 1r31 s SER 14 Ca 0.61 0.82 -0.03 0.00 0.48 0.00 0.00 55.95 57.83 1r31 s SER 14 Cb -0.16 -1.90 0.44 0.00 0.10 0.00 0.00 66.02 64.50 1r31 s SER 14 CO 0.55 -0.93 1.83 -0.65 0.98 0.00 0.00 173.24 175.03 1r31 h PRO 15 N -0.08 0.89 -0.49 4.02 0.11 -1.96 0.51 132.00 134.99 1r31 h PRO 15 Ca -0.46 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1r31 h PRO 15 Cb 1.24 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1r31 h PRO 15 CO 0.61 0.59 0.17 0.00 -0.21 0.00 0.00 178.00 179.16 1r31 h ALA 16 N 1.47 0.64 -0.63 -0.75 0.00 -1.99 -0.14 119.26 117.86 1r31 h ALA 16 Ca 0.43 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1r31 h ALA 16 Cb 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1r31 h ALA 16 CO -0.24 0.27 0.05 0.00 0.00 0.00 0.00 179.25 179.33 1r31 h ALA 17 N 1.02 0.84 -0.06 0.00 0.00 -1.75 -0.90 119.26 118.42 1r31 h ALA 17 Ca 0.16 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1r31 h ALA 17 Cb 0.24 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1r31 h ALA 17 CO -0.01 0.64 0.03 0.00 0.00 0.00 0.00 179.25 179.92 1r31 h ARG 18 N 0.98 0.08 -0.26 0.00 3.08 -0.65 -0.38 114.38 117.23 1r31 h ARG 18 Ca 0.18 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.27 1r31 h ARG 18 Cb 0.50 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 1r31 h ARG 18 CO 0.02 0.11 0.03 1.25 -1.07 0.00 0.00 179.97 180.31 1r31 h LEU 19 N 0.03 -0.04 -0.38 3.04 5.85 -0.89 -0.49 115.31 122.42 1r31 h LEU 19 Ca 0.02 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1r31 h LEU 19 Cb 0.05 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1r31 h LEU 19 CO -0.00 0.01 0.08 0.44 -0.34 0.00 0.00 178.44 178.63 1r31 h ASP 20 N 0.12 0.02 -0.47 1.25 3.32 -0.94 -0.80 116.42 118.92 1r31 h ASP 20 Ca 0.12 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.24 1r31 h ASP 20 Cb 0.14 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1r31 h ASP 20 CO -0.18 0.05 0.31 -0.74 -1.72 0.00 0.00 179.24 176.95 1r31 h HIS 21 N 0.21 0.58 -0.76 4.55 2.76 -0.53 -2.11 115.15 119.85 1r31 h HIS 21 Ca 0.18 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1r31 h HIS 21 Cb 0.21 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 28.94 1r31 h HIS 21 CO -0.19 0.36 0.49 0.82 -1.30 0.00 0.00 177.93 178.11 1r31 h ILE 22 N 0.63 1.20 -0.49 6.26 1.08 -0.55 -1.92 117.51 123.72 1r31 h ILE 22 Ca 0.18 -0.39 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 1r31 h ILE 22 Cb -0.06 0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 33.76 1r31 h ILE 22 CO -0.05 0.20 0.25 1.23 -0.69 0.00 0.00 178.15 179.09 1r31 h GLY 23 N 1.04 0.72 0.74 5.37 0.00 -0.76 -1.97 103.07 108.20 1r31 h GLY 23 Ca 0.28 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1r31 h GLY 23 CO -0.06 0.30 -0.27 -1.61 0.00 0.00 0.00 176.54 174.90 1r31 h GLN 24 N 0.68 -0.73 -0.79 4.80 5.75 -0.72 0.33 115.11 124.44 1r31 h GLN 24 Ca 0.17 0.05 0.14 0.00 -0.15 0.00 0.00 58.65 58.87 1r31 h GLN 24 Cb 0.05 0.16 -0.09 0.00 1.07 0.00 0.00 27.48 28.67 1r31 h GLN 24 CO -0.03 -0.42 0.36 -0.07 -2.65 0.00 0.00 178.83 176.02 1r31 h LEU 25 N -1.02 0.38 0.00 -2.39 3.38 -1.23 -2.44 115.31 111.98 1r31 h LEU 25 Ca -0.08 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1r31 h LEU 25 Cb 0.64 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1r31 h LEU 25 CO 0.13 0.15 -0.68 0.18 0.09 0.00 0.00 178.44 178.31 1r31 n LEU 26 N -4.95 0.65 -2.43 1.67 4.77 -0.75 -4.97 117.00 110.99 1r31 n LEU 26 Ca 0.15 -0.14 -0.15 0.00 -0.03 0.00 0.00 56.01 55.84 1r31 n LEU 26 Cb 0.42 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.40 1r31 n LEU 26 CO 0.19 0.15 0.15 0.61 -1.33 0.00 0.00 177.39 177.17 1r31 n GLY 27 N 1.49 0.02 3.79 -0.72 0.00 0.99 -4.99 105.19 105.78 1r31 n GLY 27 Ca 0.05 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1r31 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r31 s LEU 28 N -4.90 3.85 0.81 0.99 1.43 -0.20 -5.03 118.68 115.64 1r31 s LEU 28 Ca 0.34 2.02 -0.12 0.00 -1.03 0.00 0.00 54.13 55.34 1r31 s LEU 28 Cb -0.15 -4.52 0.08 0.00 0.03 0.00 0.00 46.19 41.63 1r31 s LEU 28 CO 0.45 -0.88 1.17 -0.94 0.23 0.00 0.00 176.35 176.39 1r31 s SER 29 N -1.86 4.48 0.19 2.29 1.04 -1.26 -4.87 113.70 113.70 1r31 s SER 29 Ca 0.68 0.81 -0.12 0.00 0.48 0.00 0.00 55.95 57.81 1r31 s SER 29 Cb -0.19 -1.33 0.10 0.00 0.10 0.00 0.00 66.02 64.70 1r31 s SER 29 CO 0.23 -1.93 1.79 -0.74 0.98 0.00 0.00 173.24 173.57 1r31 h HIS 30 N -1.07 0.90 -0.69 5.02 2.76 -1.99 -1.32 115.15 118.76 1r31 h HIS 30 Ca -0.46 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 57.71 1r31 h HIS 30 Cb 1.33 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 29.96 1r31 h HIS 30 CO 0.32 0.65 0.45 -0.44 -1.30 0.00 0.00 177.93 177.61 1r31 h ASP 31 N 0.88 0.71 -0.06 3.26 3.45 -1.99 0.90 116.42 123.58 1r31 h ASP 31 Ca 0.23 -0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.63 1r31 h ASP 31 Cb 0.06 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.67 1r31 h ASP 31 CO -0.03 0.49 -0.16 0.44 -1.57 0.00 0.00 179.24 178.41 1r31 h ASP 32 N 0.83 0.25 -0.71 6.45 3.32 -1.74 -2.90 116.42 121.91 1r31 h ASP 32 Ca 0.27 -0.60 0.07 0.00 0.02 0.00 0.00 57.03 56.80 1r31 h ASP 32 Cb 0.06 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 1r31 h ASP 32 CO -0.08 0.80 0.47 0.58 -1.72 0.00 0.00 179.24 179.29 1r31 h VAL 33 N -0.30 0.99 -0.06 -1.35 2.07 -0.81 -1.39 116.25 115.41 1r31 h VAL 33 Ca -0.00 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1r31 h VAL 33 Cb 0.77 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1r31 h VAL 33 CO 0.03 0.13 0.02 0.28 0.02 0.00 0.00 177.57 178.05 1r31 h SER 34 N 0.69 0.07 0.12 0.57 0.02 -0.64 -1.27 113.55 113.11 1r31 h SER 34 Ca 0.31 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 1r31 h SER 34 Cb 0.33 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1r31 h SER 34 CO -0.10 0.06 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.49 1r31 h LEU 35 N 0.08 0.00 0.00 5.07 3.38 -1.08 -2.90 115.31 119.85 1r31 h LEU 35 Ca 0.02 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.76 1r31 h LEU 35 Cb 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1r31 h LEU 35 CO -0.00 0.09 -2.20 0.18 0.09 0.00 0.00 178.44 176.60 1r31 n LEU 36 N -4.24 0.00 0.00 1.67 4.77 -0.77 -4.34 117.00 114.10 1r31 n LEU 36 Ca -0.03 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.09 1r31 n LEU 36 Cb 0.17 0.31 0.72 0.00 -2.33 0.00 0.00 43.42 42.29 1r31 n LEU 36 CO 0.33 0.31 0.97 0.00 -1.33 0.00 0.00 177.39 177.67 1r31 n ALA 37 N -2.54 2.40 -3.11 -1.18 0.00 -0.55 -4.73 120.51 110.79 1r31 n ALA 37 Ca -0.22 -0.14 -0.14 0.00 0.00 0.00 0.00 53.44 52.94 1r31 n ALA 37 Cb 0.92 -1.44 -0.15 0.00 0.00 0.00 0.00 19.45 18.79 1r31 n ALA 37 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1r31 s ASN 38 N -2.38 0.18 0.42 0.00 -0.87 -1.11 -5.05 114.94 106.13 1r31 s ASN 38 Ca 0.31 -0.01 -0.24 0.00 -1.57 0.00 0.00 52.86 51.34 1r31 s ASN 38 Cb 0.18 -0.06 -0.08 0.00 -0.02 0.00 0.00 41.25 41.28 1r31 s ASN 38 CO 0.38 -0.02 1.15 0.00 -2.57 0.00 0.00 177.10 176.04 1r31 s ALA 39 N 0.29 3.09 0.00 0.60 0.00 -1.26 -4.22 121.76 120.26 1r31 s ALA 39 Ca -0.03 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1r31 s ALA 39 Cb -0.04 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1r31 s ALA 39 CO -0.01 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.63 1r31 n GLY 40 N 0.54 1.42 0.32 0.00 0.00 -1.26 -4.98 105.19 101.23 1r31 n GLY 40 Ca 0.05 -0.25 0.21 0.00 0.00 0.00 0.00 46.02 46.04 1r31 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r31 h ALA 41 N 0.00 1.04 -2.17 4.61 0.00 -1.80 -3.36 119.26 117.59 1r31 h ALA 41 Ca 0.00 -0.00 -0.75 0.00 0.00 0.00 0.00 54.91 54.15 1r31 h ALA 41 Cb 0.21 -0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.76 1r31 h ALA 41 CO 0.00 0.01 -0.26 -1.17 0.00 0.00 0.00 179.25 177.83 1r31 s LEU 42 N -6.30 6.02 0.52 0.00 2.96 -1.26 -4.60 118.68 116.02 1r31 s LEU 42 Ca -0.04 -1.68 -0.22 0.00 -0.22 0.00 0.00 54.13 51.97 1r31 s LEU 42 Cb 0.12 -2.19 -0.07 0.00 0.50 0.00 0.00 46.19 44.56 1r31 s LEU 42 CO 0.45 -0.80 1.18 -2.65 -1.32 0.00 0.00 176.35 173.20 1r31 n PRO 43 N 5.22 1.45 0.24 0.98 -0.02 -1.26 -4.74 135.00 136.86 1r31 n PRO 43 Ca -0.13 0.53 0.16 0.00 -2.02 0.00 0.00 63.50 62.04 1r31 n PRO 43 Cb 0.41 -2.34 0.59 0.00 -0.02 0.00 0.00 33.50 32.14 1r31 n PRO 43 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1r31 h MET 44 N 1.28 0.00 0.00 -0.52 4.05 -1.97 -0.85 114.93 116.92 1r31 h MET 44 Ca -0.49 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 58.82 1r31 h MET 44 Cb 1.33 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.11 1r31 h MET 44 CO 0.56 0.00 -0.54 0.38 0.23 0.00 0.00 176.91 177.54 1r31 h ASP 45 N 0.00 0.00 0.03 1.39 3.04 -1.98 0.95 116.42 119.85 1r31 h ASP 45 Ca 0.00 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.74 1r31 h ASP 45 Cb 0.55 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.85 1r31 h ASP 45 CO 0.00 0.54 -0.22 0.40 -2.04 0.00 0.00 179.24 177.92 1r31 h ILE 46 N 0.00 1.66 -0.36 4.15 1.08 -1.69 -3.10 117.51 119.24 1r31 h ILE 46 Ca -0.01 -2.21 0.05 0.00 -0.39 0.00 0.00 64.86 62.30 1r31 h ILE 46 Cb 0.97 3.13 -0.05 0.00 -3.07 0.00 0.00 36.82 37.80 1r31 h ILE 46 CO 0.07 0.59 0.08 0.00 -0.69 0.00 0.00 178.15 178.20 1r31 h ALA 47 N 0.11 0.39 0.00 1.87 0.00 -1.11 -0.88 119.26 119.64 1r31 h ALA 47 Ca -0.03 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1r31 h ALA 47 Cb 1.09 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1r31 h ALA 47 CO 0.04 -0.32 -0.02 -0.97 0.00 0.00 0.00 179.25 177.98 1r31 h ASN 48 N 0.21 0.00 0.43 0.00 -1.24 -0.92 -0.95 115.58 113.11 1r31 h ASN 48 Ca 0.17 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.18 1r31 h ASN 48 Cb 0.19 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.24 1r31 h ASN 48 CO -0.21 0.02 -0.71 0.61 -1.29 0.00 0.00 177.43 175.85 1r31 n GLY 49 N -0.99 -1.21 0.11 1.57 0.00 -0.41 -4.39 105.19 99.86 1r31 n GLY 49 Ca -0.02 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 1r31 n GLY 49 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1r31 h MET 50 N 0.00 -0.13 -5.07 1.61 2.86 -0.36 -3.48 114.93 110.35 1r31 h MET 50 Ca 0.00 0.01 -0.57 0.00 -2.06 0.00 0.00 59.70 57.08 1r31 h MET 50 Cb 0.57 0.03 -0.13 0.00 0.06 0.00 0.00 31.60 32.13 1r31 h MET 50 CO 0.00 0.35 -0.52 0.96 1.06 0.00 0.00 176.91 178.76 1r31 s ILE 51 N -2.89 0.70 0.35 -1.22 -4.36 -1.22 -5.12 121.20 107.44 1r31 s ILE 51 Ca -0.12 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.28 1r31 s ILE 51 Cb -0.00 -2.36 -0.03 0.00 1.25 0.00 0.00 42.46 41.32 1r31 s ILE 51 CO 0.45 0.00 0.55 -1.61 0.24 0.00 0.00 174.94 174.56 1r31 s GLU 52 N -3.74 3.47 -1.40 0.37 8.01 -1.26 -4.48 118.70 119.66 1r31 s GLU 52 Ca 0.23 -0.35 -0.07 0.00 0.01 0.00 0.00 54.97 54.79 1r31 s GLU 52 Cb 0.03 -2.66 0.04 0.00 -4.31 0.00 0.00 34.13 27.22 1r31 s GLU 52 CO 0.13 0.14 0.52 0.09 0.01 0.00 0.00 175.26 176.15 1r31 n ASN 53 N -1.79 -4.86 -4.76 -0.19 4.13 -1.26 -4.94 115.26 101.59 1r31 n ASN 53 Ca -0.05 -0.31 -0.41 0.00 1.68 0.00 0.00 54.58 55.49 1r31 n ASN 53 Cb 0.56 -3.97 -0.02 0.00 -1.54 0.00 0.00 39.78 34.81 1r31 n ASN 53 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1r31 s VAL 54 N -3.03 2.87 0.00 2.41 1.01 -1.26 -4.93 120.40 117.46 1r31 s VAL 54 Ca 0.33 0.82 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1r31 s VAL 54 Cb -0.16 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1r31 s VAL 54 CO 0.41 0.17 0.65 2.30 0.00 0.00 0.00 175.10 178.64 1r31 n ILE 55 N 1.37 0.38 -3.63 2.22 -5.35 -1.26 -5.03 119.36 108.05 1r31 n ILE 55 Ca 0.02 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 1r31 n ILE 55 Cb 0.42 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.21 1r31 n ILE 55 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1r31 n GLY 56 N -0.19 -0.49 3.33 3.28 0.00 -1.26 -5.16 105.19 104.70 1r31 n GLY 56 Ca 0.00 -1.21 -0.17 0.00 0.00 0.00 0.00 46.02 44.64 1r31 n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r31 s THR 57 N -2.98 1.28 -0.08 2.61 -4.23 -1.26 -4.99 115.64 105.98 1r31 s THR 57 Ca 0.00 -2.08 0.01 0.00 -1.18 0.00 0.00 61.69 58.44 1r31 s THR 57 Cb 0.00 -2.20 0.02 0.00 1.34 0.00 0.00 72.50 71.66 1r31 s THR 57 CO 0.00 -0.47 -0.08 0.12 -0.54 0.00 0.00 174.62 173.65 1r31 s PHE 58 N -3.26 1.31 0.12 3.99 5.36 -1.26 -5.15 117.98 119.09 1r31 s PHE 58 Ca 0.25 -0.54 -0.03 0.00 -0.96 0.00 0.00 56.93 55.65 1r31 s PHE 58 Cb 0.04 -1.05 -0.05 0.00 -0.34 0.00 0.00 43.02 41.61 1r31 s PHE 58 CO 0.07 -0.36 0.32 -1.21 -1.46 0.00 0.00 175.22 172.58 1r31 s GLU 59 N 1.19 3.56 0.05 10.12 2.02 -1.26 -5.11 118.70 129.26 1r31 s GLU 59 Ca -0.05 -0.21 0.02 0.00 0.02 0.00 0.00 54.97 54.75 1r31 s GLU 59 Cb -0.14 -2.91 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 1r31 s GLU 59 CO -0.02 0.51 -0.07 -0.51 0.02 0.00 0.00 175.26 175.19 1r31 s LEU 60 N -2.64 2.28 0.49 1.80 1.43 -1.26 -5.13 118.68 115.65 1r31 s LEU 60 Ca 0.39 -0.60 -0.23 0.00 -1.03 0.00 0.00 54.13 52.66 1r31 s LEU 60 Cb -0.12 -0.13 -0.07 0.00 0.03 0.00 0.00 46.19 45.89 1r31 s LEU 60 CO 0.26 -0.24 1.32 -2.65 0.23 0.00 0.00 176.35 175.27 1r31 n PRO 61 N 1.31 1.83 -4.01 1.29 -0.02 -1.26 -4.90 135.00 129.24 1r31 n PRO 61 Ca -0.22 0.66 -0.33 0.00 -2.02 0.00 0.00 63.50 61.59 1r31 n PRO 61 Cb 0.55 -2.51 -0.15 0.00 -0.02 0.00 0.00 33.50 31.38 1r31 n PRO 61 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1r31 s TYR 62 N -1.26 3.18 0.43 6.00 5.04 -1.26 -3.56 117.35 125.92 1r31 s TYR 62 Ca 0.67 -1.98 0.04 0.00 -2.44 0.00 0.00 57.07 53.36 1r31 s TYR 62 Cb -0.45 -2.00 -0.05 0.00 0.35 0.00 0.00 41.96 39.81 1r31 s TYR 62 CO 0.53 -0.82 0.02 0.00 -1.34 0.00 0.00 175.55 173.95 1r31 s ALA 63 N 1.21 3.33 -0.10 3.97 0.00 -0.13 -4.96 121.76 125.08 1r31 s ALA 63 Ca -0.05 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.33 1r31 s ALA 63 Cb -0.19 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1r31 s ALA 63 CO -0.05 -0.13 -0.08 0.08 0.00 0.00 0.00 175.76 175.58 1r31 s VAL 64 N -2.88 0.98 0.23 0.00 1.01 -1.26 -0.66 120.40 117.82 1r31 s VAL 64 Ca 0.25 -0.29 -0.28 0.00 0.00 0.00 0.00 61.98 61.66 1r31 s VAL 64 Cb 0.07 -0.99 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 1r31 s VAL 64 CO 0.13 0.35 0.90 0.00 0.00 0.00 0.00 175.10 176.47 1r31 s ALA 65 N 1.49 3.36 0.48 5.51 0.00 0.79 -4.92 121.76 128.46 1r31 s ALA 65 Ca 0.00 0.54 0.08 0.00 0.00 0.00 0.00 51.96 52.58 1r31 s ALA 65 Cb -0.13 -3.14 0.02 0.00 0.00 0.00 0.00 23.12 19.87 1r31 s ALA 65 CO -0.05 0.23 0.54 -1.54 0.00 0.00 0.00 175.76 174.94 1r31 s SER 66 N -1.22 5.17 0.00 0.00 1.04 -1.26 -3.13 113.70 114.30 1r31 s SER 66 Ca 0.41 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1r31 s SER 66 Cb -0.24 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.65 1r31 s SER 66 CO 0.30 -0.93 0.00 0.59 0.98 0.00 0.00 173.24 174.18 1r31 n ASN 67 N -1.84 -2.12 -4.75 7.02 3.02 0.17 -4.45 115.26 112.31 1r31 n ASN 67 Ca 0.07 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.26 1r31 n ASN 67 Cb 0.61 -2.38 0.04 0.00 -0.61 0.00 0.00 39.78 37.44 1r31 n ASN 67 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1r31 s PHE 68 N -1.42 2.38 -0.17 3.10 0.40 -1.26 -4.37 117.98 116.65 1r31 s PHE 68 Ca 0.00 1.52 -0.07 0.00 -0.60 0.00 0.00 56.93 57.78 1r31 s PHE 68 Cb 0.00 -3.47 0.08 0.00 0.51 0.00 0.00 43.02 40.13 1r31 s PHE 68 CO 0.00 -2.22 0.37 -1.14 0.70 0.00 0.00 175.22 172.93 1r31 s GLN 69 N -3.37 0.28 -0.22 0.44 0.74 -1.26 -2.70 119.66 113.57 1r31 s GLN 69 Ca 0.77 0.88 -0.00 0.00 0.05 0.00 0.00 55.36 57.06 1r31 s GLN 69 Cb -0.30 0.14 0.02 0.00 1.10 0.00 0.00 33.01 33.98 1r31 s GLN 69 CO 0.34 -0.24 -0.12 0.42 -0.55 0.00 0.00 175.29 175.14 1r31 s ILE 70 N 2.24 2.49 -1.54 -2.34 -1.09 0.31 -1.22 121.20 120.05 1r31 s ILE 70 Ca -0.03 -1.01 -0.10 0.00 -2.23 0.00 0.00 60.65 57.28 1r31 s ILE 70 Cb -0.11 -2.19 0.08 0.00 -1.58 0.00 0.00 42.46 38.66 1r31 s ILE 70 CO -0.11 0.34 0.74 0.59 -1.23 0.00 0.00 174.94 175.26 1r31 n ASN 71 N 4.63 -2.73 0.00 3.58 3.02 0.21 -1.47 115.26 122.50 1r31 n ASN 71 Ca -0.18 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 1r31 n ASN 71 Cb 0.48 -3.30 0.00 0.00 -0.61 0.00 0.00 39.78 36.35 1r31 n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r31 n GLY 72 N -1.66 1.07 3.31 7.41 0.00 -1.26 -5.04 105.19 109.01 1r31 n GLY 72 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1r31 n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r31 s ARG 73 N -0.31 3.24 0.34 1.61 0.52 -0.54 -5.11 118.95 118.71 1r31 s ARG 73 Ca 0.00 -0.77 -0.28 0.00 -0.52 0.00 0.00 55.73 54.16 1r31 s ARG 73 Cb 0.00 -2.49 -0.10 0.00 0.52 0.00 0.00 34.95 32.89 1r31 s ARG 73 CO 0.00 0.20 1.22 -0.51 0.02 0.00 0.00 175.30 176.23 1r31 s ASP 74 N 0.34 6.79 -0.04 0.23 1.11 -1.26 -0.53 116.67 123.30 1r31 s ASP 74 Ca -0.14 2.50 -0.05 0.00 0.18 0.00 0.00 52.55 55.04 1r31 s ASP 74 Cb -0.17 -2.63 0.01 0.00 1.07 0.00 0.00 42.92 41.20 1r31 s ASP 74 CO 0.07 -0.51 0.14 0.54 1.18 0.00 0.00 175.17 176.59 1r31 s VAL 75 N -1.22 0.02 -0.13 -1.27 0.11 -1.10 -4.89 120.40 111.91 1r31 s VAL 75 Ca 0.51 -0.15 -0.11 0.00 -2.93 0.00 0.00 61.98 59.29 1r31 s VAL 75 Cb -0.36 -0.25 -0.05 0.00 -1.53 0.00 0.00 36.38 34.19 1r31 s VAL 75 CO 0.46 -0.08 0.22 -0.76 -3.33 0.00 0.00 175.10 171.61 1r31 s LEU 76 N -0.24 4.32 -0.25 2.54 1.43 -1.26 -4.04 118.68 121.18 1r31 s LEU 76 Ca -0.03 0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 53.55 1r31 s LEU 76 Cb -0.02 -2.24 0.03 0.00 0.03 0.00 0.00 46.19 43.99 1r31 s LEU 76 CO 0.00 0.25 -0.07 -0.69 0.23 0.00 0.00 176.35 176.07 1r31 s VAL 77 N -0.26 2.77 0.33 -1.59 1.01 -1.18 -4.25 120.40 117.22 1r31 s VAL 77 Ca 0.15 -1.07 -0.26 0.00 0.00 0.00 0.00 61.98 60.80 1r31 s VAL 77 Cb -0.13 -2.41 -0.09 0.00 0.00 0.00 0.00 36.38 33.75 1r31 s VAL 77 CO 0.04 0.20 1.00 -2.84 0.00 0.00 0.00 175.10 173.50 1r31 s PRO 78 N 1.30 4.51 -0.11 2.72 0.02 -1.26 -0.15 135.00 142.03 1r31 s PRO 78 Ca -0.00 1.47 -0.06 0.00 0.02 0.00 0.00 61.00 62.43 1r31 s PRO 78 Cb -0.17 -2.84 0.04 0.00 0.02 0.00 0.00 34.50 31.55 1r31 s PRO 78 CO -0.05 0.18 0.26 -0.51 -0.33 0.00 0.00 177.00 176.55 1r31 s LEU 79 N -2.03 0.50 -0.21 -5.54 1.43 0.17 -4.36 118.68 108.64 1r31 s LEU 79 Ca 0.50 0.54 0.02 0.00 -1.03 0.00 0.00 54.13 54.16 1r31 s LEU 79 Cb -0.22 0.79 0.04 0.00 0.03 0.00 0.00 46.19 46.83 1r31 s LEU 79 CO 0.28 -0.15 -0.15 -0.69 0.23 0.00 0.00 176.35 175.87 1r31 s VAL 80 N 1.06 2.03 0.18 -1.59 1.01 -0.71 -0.96 120.40 121.42 1r31 s VAL 80 Ca -0.08 -1.22 -0.24 0.00 0.00 0.00 0.00 61.98 60.45 1r31 s VAL 80 Cb -0.09 -2.00 0.05 0.00 0.00 0.00 0.00 36.38 34.35 1r31 s VAL 80 CO -0.07 0.26 0.81 0.54 0.00 0.00 0.00 175.10 176.63 1r31 s VAL 81 N 1.23 0.00 -0.76 2.92 0.11 -1.23 -4.30 120.40 118.38 1r31 s VAL 81 Ca -0.01 -0.59 0.17 0.00 -2.93 0.00 0.00 61.98 58.62 1r31 s VAL 81 Cb -0.16 -1.70 -0.19 0.00 -1.53 0.00 0.00 36.38 32.80 1r31 s VAL 81 CO -0.09 0.00 0.70 -1.84 -3.33 0.00 0.00 175.10 170.54 1r31 n GLU 82 N -0.42 1.32 -3.33 1.54 0.00 -1.26 -4.17 120.64 114.31 1r31 n GLU 82 Ca -0.07 -0.01 -0.38 0.00 0.00 0.00 0.00 57.16 56.70 1r31 n GLU 82 Cb 0.61 -1.31 -0.06 0.00 0.00 0.00 0.00 31.44 30.68 1r31 n GLU 82 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1r31 s GLU 83 N -2.64 4.30 0.82 3.44 2.12 -1.26 -5.08 118.70 120.40 1r31 s GLU 83 Ca 0.06 0.44 -0.11 0.00 0.36 0.00 0.00 54.97 55.72 1r31 s GLU 83 Cb 0.13 -3.41 0.09 0.00 0.26 0.00 0.00 34.13 31.19 1r31 s GLU 83 CO 0.70 0.21 1.09 -1.25 -0.54 0.00 0.00 175.26 175.48 1r31 s PRO 84 N 0.44 1.86 0.00 4.30 0.04 -1.26 -3.90 135.00 136.48 1r31 s PRO 84 Ca 0.25 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.25 1r31 s PRO 84 Cb -0.15 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1r31 s PRO 84 CO 0.10 -1.86 0.00 0.43 0.04 0.00 0.00 177.00 175.71 1r31 n SER 85 N -3.64 0.00 0.17 6.66 7.64 -1.26 -4.86 113.62 118.34 1r31 n SER 85 Ca 0.08 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.84 1r31 n SER 85 Cb 0.54 -0.45 -0.07 0.00 -1.01 0.00 0.00 64.21 63.23 1r31 n SER 85 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1r31 h ILE 86 N 0.00 0.47 -0.65 0.44 2.04 -1.96 -2.39 117.51 115.46 1r31 h ILE 86 Ca 0.00 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1r31 h ILE 86 Cb 0.00 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1r31 h ILE 86 CO 0.00 0.10 0.37 0.58 0.00 0.00 0.00 178.15 179.20 1r31 h VAL 87 N -0.95 1.20 -0.42 1.67 2.07 -1.89 -1.37 116.25 116.56 1r31 h VAL 87 Ca -0.05 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 1r31 h VAL 87 Cb 0.53 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1r31 h VAL 87 CO 0.08 0.21 0.02 0.00 0.02 0.00 0.00 177.57 177.90 1r31 h ALA 88 N 1.19 0.56 -0.45 1.67 0.00 -1.97 -1.94 119.26 118.32 1r31 h ALA 88 Ca 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1r31 h ALA 88 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1r31 h ALA 88 CO -0.04 0.33 0.21 0.00 0.00 0.00 0.00 179.25 179.75 1r31 h ALA 89 N 0.90 0.59 -0.31 0.00 0.00 -1.24 -0.56 119.26 118.65 1r31 h ALA 89 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r31 h ALA 89 Cb 0.46 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1r31 h ALA 89 CO 0.02 0.16 0.20 0.00 0.00 0.00 0.00 179.25 179.64 1r31 h ALA 90 N 1.05 0.39 -0.49 0.00 0.00 -1.20 -1.37 119.26 117.64 1r31 h ALA 90 Ca 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1r31 h ALA 90 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1r31 h ALA 90 CO -0.02 -0.13 0.24 0.77 0.00 0.00 0.00 179.25 180.10 1r31 h SER 91 N 0.42 0.64 -0.15 0.00 0.02 -1.15 -1.29 113.55 112.03 1r31 h SER 91 Ca 0.11 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1r31 h SER 91 Cb -0.04 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1r31 h SER 91 CO -0.02 0.59 0.04 0.22 -1.14 0.00 0.00 176.83 176.52 1r31 h TYR 92 N 0.65 0.25 -0.36 3.45 3.20 -0.93 -1.69 116.97 121.54 1r31 h TYR 92 Ca 0.17 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 1r31 h TYR 92 Cb 0.12 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1r31 h TYR 92 CO -0.01 0.36 0.01 0.52 -1.64 0.00 0.00 178.16 177.41 1r31 h MET 93 N 0.06 0.55 -0.44 1.82 2.86 -1.20 -1.76 114.93 116.83 1r31 h MET 93 Ca 0.05 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 1r31 h MET 93 Cb 0.24 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1r31 h MET 93 CO -0.00 0.57 0.01 0.00 1.06 0.00 0.00 176.91 178.55 1r31 h ALA 94 N 1.49 1.20 -0.38 6.32 0.00 -1.03 -1.73 119.26 125.13 1r31 h ALA 94 Ca 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1r31 h ALA 94 Cb 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1r31 h ALA 94 CO 0.01 0.53 0.20 -0.22 0.00 0.00 0.00 179.25 179.77 1r31 h LYS 95 N 0.67 0.53 -0.41 0.00 3.64 -0.43 -2.22 116.57 118.35 1r31 h LYS 95 Ca 0.14 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 1r31 h LYS 95 Cb 0.40 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1r31 h LYS 95 CO 0.01 0.44 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.47 1r31 h LEU 96 N 0.48 0.69 -1.40 5.20 3.38 -1.18 -2.85 115.31 119.62 1r31 h LEU 96 Ca 0.13 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1r31 h LEU 96 Cb 0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1r31 h LEU 96 CO -0.02 0.81 -0.00 0.00 0.09 0.00 0.00 178.44 179.32 1r31 h ALA 97 N 1.26 1.52 -0.78 1.53 0.00 -0.92 -3.02 119.26 118.85 1r31 h ALA 97 Ca 0.12 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1r31 h ALA 97 Cb 0.53 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1r31 h ALA 97 CO 0.03 0.35 0.43 0.00 0.00 0.00 0.00 179.25 180.07 1r31 h ARG 98 N 0.38 0.72 -0.08 0.00 3.08 -1.16 0.34 114.38 117.66 1r31 h ARG 98 Ca 0.09 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.12 1r31 h ARG 98 Cb 0.26 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1r31 h ARG 98 CO 0.01 0.48 0.13 0.00 -1.07 0.00 0.00 179.97 179.52 1r31 h ALA 99 N 1.43 1.52 -0.18 0.04 0.00 -1.64 -2.22 119.26 118.20 1r31 h ALA 99 Ca 0.37 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 1r31 h ALA 99 Cb 0.32 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1r31 h ALA 99 CO -0.24 -0.18 -0.20 0.09 0.00 0.00 0.00 179.25 178.72 1r31 n ASN 100 N -3.54 2.34 0.00 0.00 3.02 -0.77 -4.93 115.26 111.38 1r31 n ASN 100 Ca -0.01 -3.66 0.00 0.00 -0.03 0.00 0.00 54.58 50.88 1r31 n ASN 100 Cb 0.23 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 1r31 n ASN 100 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r31 n GLY 101 N -1.10 0.40 7.00 7.41 0.00 -0.84 -4.86 105.19 113.21 1r31 n GLY 101 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1r31 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r31 n GLY 102 N -1.81 -0.59 3.86 -0.02 0.00 0.11 -4.47 105.19 102.27 1r31 n GLY 102 Ca 0.00 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 1r31 n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r31 s PHE 103 N 0.00 3.66 -0.16 1.61 0.40 -0.36 -4.64 117.98 118.48 1r31 s PHE 103 Ca 0.00 0.77 -0.02 0.00 -0.60 0.00 0.00 56.93 57.08 1r31 s PHE 103 Cb 0.00 -2.12 -0.02 0.00 0.51 0.00 0.00 43.02 41.39 1r31 s PHE 103 CO 0.00 0.67 -0.08 0.99 0.70 0.00 0.00 175.22 177.49 1r31 s THR 104 N -1.11 3.35 0.26 0.64 2.01 -1.03 -0.62 115.64 119.14 1r31 s THR 104 Ca 0.22 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.72 1r31 s THR 104 Cb -0.14 -2.46 -0.06 0.00 0.01 0.00 0.00 72.50 69.85 1r31 s THR 104 CO 0.11 0.49 0.02 0.42 -0.69 0.00 0.00 174.62 174.96 1r31 s THR 105 N 0.65 1.09 0.22 -0.82 -4.23 -1.26 -0.92 115.64 110.37 1r31 s THR 105 Ca -0.05 -2.03 -0.23 0.00 -1.18 0.00 0.00 61.69 58.20 1r31 s THR 105 Cb -0.15 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.24 1r31 s THR 105 CO 0.02 -0.21 0.87 -0.94 -0.54 0.00 0.00 174.62 173.83 1r31 s SER 106 N -3.37 -0.17 0.08 3.99 1.04 -0.80 -4.98 113.70 109.49 1r31 s SER 106 Ca 0.31 -0.56 -0.26 0.00 0.48 0.00 0.00 55.95 55.92 1r31 s SER 106 Cb 0.06 0.60 0.08 0.00 0.10 0.00 0.00 66.02 66.87 1r31 s SER 106 CO 0.11 -1.13 0.80 -0.94 0.98 0.00 0.00 173.24 173.07 1r31 s SER 107 N -2.98 -0.39 0.80 7.02 1.04 -1.26 -0.53 113.70 117.39 1r31 s SER 107 Ca 0.13 -0.09 -0.05 0.00 0.48 0.00 0.00 55.95 56.42 1r31 s SER 107 Cb -0.03 0.48 0.16 0.00 0.10 0.00 0.00 66.02 66.72 1r31 s SER 107 CO 0.05 -0.80 1.11 -0.94 0.98 0.00 0.00 173.24 173.63 1r31 s SER 108 N -2.64 3.90 0.78 7.02 1.04 -0.55 -5.01 113.70 118.23 1r31 s SER 108 Ca 0.05 -0.22 -0.12 0.00 0.48 0.00 0.00 55.95 56.14 1r31 s SER 108 Cb -0.01 -0.01 0.07 0.00 0.10 0.00 0.00 66.02 66.16 1r31 s SER 108 CO -0.08 -2.18 1.13 0.00 0.98 0.00 0.00 173.24 173.09 1r31 s ALA 109 N -3.39 2.07 -1.30 5.32 0.00 -1.26 -4.81 121.76 118.40 1r31 s ALA 109 Ca 0.69 0.51 -0.16 0.00 0.00 0.00 0.00 51.96 53.01 1r31 s ALA 109 Cb -0.04 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 1r31 s ALA 109 CO 0.47 -1.95 2.12 -0.35 0.00 0.00 0.00 175.76 176.05 1r31 n PRO 110 N -3.35 2.57 -3.45 0.00 -0.04 -1.26 -4.55 135.00 124.92 1r31 n PRO 110 Ca 0.11 -2.50 -0.37 0.00 -0.04 0.00 0.00 63.50 60.70 1r31 n PRO 110 Cb 0.52 -3.24 -0.07 0.00 -0.04 0.00 0.00 33.50 30.67 1r31 n PRO 110 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1r31 s LEU 111 N 2.38 4.26 0.11 1.53 1.43 -1.26 -1.39 118.68 125.73 1r31 s LEU 111 Ca 0.50 0.64 0.09 0.00 -1.03 0.00 0.00 54.13 54.32 1r31 s LEU 111 Cb 0.13 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 1r31 s LEU 111 CO -0.03 0.06 -0.22 -0.04 0.23 0.00 0.00 176.35 176.36 1r31 s MET 112 N 0.50 1.16 0.02 1.70 -1.94 0.29 -3.57 119.30 117.47 1r31 s MET 112 Ca 0.20 -1.19 -0.14 0.00 -1.71 0.00 0.00 55.69 52.85 1r31 s MET 112 Cb -0.14 -1.46 -0.06 0.00 2.01 0.00 0.00 34.83 35.18 1r31 s MET 112 CO 0.07 0.34 0.41 -1.01 -0.01 0.00 0.00 175.02 174.82 1r31 s HIS 113 N -1.15 3.70 -0.21 -0.03 0.09 -1.26 -1.09 115.29 115.34 1r31 s HIS 113 Ca 0.07 0.97 0.01 0.00 -0.00 0.00 0.00 55.06 56.12 1r31 s HIS 113 Cb -0.10 -2.27 0.05 0.00 -0.00 0.00 0.00 32.58 30.25 1r31 s HIS 113 CO 0.04 0.62 -0.10 0.00 -0.00 0.00 0.00 174.74 175.30 1r31 s ALA 114 N -1.14 2.08 0.11 -1.40 0.00 -0.58 -2.34 121.76 118.50 1r31 s ALA 114 Ca 0.26 -1.30 -0.19 0.00 0.00 0.00 0.00 51.96 50.72 1r31 s ALA 114 Cb -0.16 -1.34 -0.07 0.00 0.00 0.00 0.00 23.12 21.55 1r31 s ALA 114 CO 0.14 -0.91 0.61 -0.65 0.00 0.00 0.00 175.76 174.95 1r31 s GLN 115 N 1.35 4.22 -0.28 0.00 -0.21 0.58 -0.87 119.66 124.46 1r31 s GLN 115 Ca -0.03 0.77 -0.01 0.00 0.02 0.00 0.00 55.36 56.11 1r31 s GLN 115 Cb -0.17 -3.16 0.09 0.00 1.00 0.00 0.00 33.01 30.77 1r31 s GLN 115 CO -0.08 0.58 0.08 0.08 -2.12 0.00 0.00 175.29 173.83 1r31 s VAL 116 N -1.21 0.77 0.02 1.09 1.01 -0.12 -1.47 120.40 120.49 1r31 s VAL 116 Ca 0.33 -1.16 -0.25 0.00 0.00 0.00 0.00 61.98 60.89 1r31 s VAL 116 Cb -0.19 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1r31 s VAL 116 CO 0.20 -0.54 0.79 -1.58 0.00 0.00 0.00 175.10 173.97 1r31 s GLN 117 N 1.69 4.50 -0.08 2.72 0.74 -1.07 -1.68 119.66 126.48 1r31 s GLN 117 Ca 0.06 1.09 0.03 0.00 0.05 0.00 0.00 55.36 56.59 1r31 s GLN 117 Cb -0.17 -3.39 0.01 0.00 1.10 0.00 0.00 33.01 30.55 1r31 s GLN 117 CO -0.21 0.19 -0.18 0.42 -0.55 0.00 0.00 175.29 174.96 1r31 s ILE 118 N 0.27 1.60 0.18 -2.34 1.01 0.78 -0.76 121.20 121.94 1r31 s ILE 118 Ca 0.40 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1r31 s ILE 118 Cb -0.20 -1.41 -0.00 0.00 0.01 0.00 0.00 42.46 40.86 1r31 s ILE 118 CO 0.23 0.46 0.04 1.33 0.00 0.00 0.00 174.94 177.00 1r31 n VAL 119 N 3.63 0.00 -1.73 2.92 0.24 0.02 -1.72 118.33 121.70 1r31 n VAL 119 Ca -0.21 -0.96 -0.10 0.00 -2.04 0.00 0.00 64.34 61.02 1r31 n VAL 119 Cb 0.52 0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 33.17 1r31 n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1r31 n GLY 120 N 1.54 0.59 3.03 7.63 0.00 -1.26 0.21 105.19 116.94 1r31 n GLY 120 Ca -0.04 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 1r31 n GLY 120 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1r31 s ILE 121 N -2.45 0.82 -1.87 -0.61 -4.36 -1.26 -4.60 121.20 106.87 1r31 s ILE 121 Ca 0.00 -0.42 0.28 0.00 -0.26 0.00 0.00 60.65 60.25 1r31 s ILE 121 Cb 0.00 -0.70 0.44 0.00 1.25 0.00 0.00 42.46 43.45 1r31 s ILE 121 CO 0.00 0.24 1.77 0.00 0.24 0.00 0.00 174.94 177.19 1r31 n GLN 122 N 2.99 0.95 -3.50 0.37 1.13 -1.26 -4.44 117.38 113.61 1r31 n GLN 122 Ca -0.15 -0.44 -0.27 0.00 -1.94 0.00 0.00 57.00 54.20 1r31 n GLN 122 Cb 0.56 -1.49 -0.09 0.00 0.11 0.00 0.00 30.24 29.32 1r31 n GLN 122 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1r31 n ASP 123 N -0.64 1.74 -0.04 1.08 5.75 -1.26 -4.92 116.55 118.26 1r31 n ASP 123 Ca 0.15 -2.95 -0.15 0.00 -0.01 0.00 0.00 54.79 51.82 1r31 n ASP 123 Cb 0.30 -0.66 -0.08 0.00 -1.03 0.00 0.00 41.12 39.65 1r31 n ASP 123 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1r31 h PRO 124 N 4.85 0.51 0.00 0.11 0.11 -1.96 -2.52 132.00 133.09 1r31 h PRO 124 Ca 0.18 -0.39 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 1r31 h PRO 124 Cb 0.79 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1r31 h PRO 124 CO 0.61 1.01 -0.05 -0.07 -0.21 0.00 0.00 178.00 179.29 1r31 h LEU 125 N 0.11 0.00 0.12 2.35 3.38 -1.96 -0.37 115.31 118.94 1r31 h LEU 125 Ca -0.02 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.59 1r31 h LEU 125 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1r31 h LEU 125 CO 0.09 0.05 -1.97 -3.20 0.09 0.00 0.00 178.44 173.50 1r31 n ASN 126 N -3.21 2.11 -0.10 -0.43 5.15 -1.23 -4.02 115.26 113.53 1r31 n ASN 126 Ca -0.01 0.21 0.09 0.00 -0.60 0.00 0.00 54.58 54.28 1r31 n ASN 126 Cb 0.26 -0.86 0.45 0.00 -0.53 0.00 0.00 39.78 39.10 1r31 n ASN 126 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1r31 h ALA 127 N 0.04 1.88 -0.81 5.20 0.00 -1.16 -1.67 119.26 122.73 1r31 h ALA 127 Ca -0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1r31 h ALA 127 Cb 1.99 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.62 1r31 h ALA 127 CO 0.07 0.00 0.48 -0.09 0.00 0.00 0.00 179.25 179.71 1r31 h ARG 128 N 0.52 1.11 -0.00 0.00 2.43 -1.21 -2.02 114.38 115.22 1r31 h ARG 128 Ca 0.27 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 59.22 1r31 h ARG 128 Cb 0.38 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1r31 h ARG 128 CO -0.08 0.79 -0.53 -0.07 -1.51 0.00 0.00 179.97 178.57 1r31 h LEU 129 N 1.11 0.01 -0.75 3.80 3.38 -1.46 -1.92 115.31 119.48 1r31 h LEU 129 Ca 0.29 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 1r31 h LEU 129 Cb -0.02 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1r31 h LEU 129 CO -0.05 0.53 0.29 0.28 0.09 0.00 0.00 178.44 179.58 1r31 h SER 130 N 0.01 1.04 -0.23 -0.43 0.02 -1.01 -0.17 113.55 112.78 1r31 h SER 130 Ca -0.00 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.72 1r31 h SER 130 Cb 0.93 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1r31 h SER 130 CO 0.07 0.93 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.57 1r31 h LEU 131 N 1.08 0.45 -1.44 5.07 3.38 -1.12 -2.89 115.31 119.84 1r31 h LEU 131 Ca 0.25 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1r31 h LEU 131 Cb 0.23 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1r31 h LEU 131 CO -0.02 0.71 -0.15 -0.07 0.09 0.00 0.00 178.44 179.00 1r31 h LEU 132 N 0.19 0.17 -1.21 1.67 3.38 -1.17 -1.87 115.31 116.46 1r31 h LEU 132 Ca 0.06 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1r31 h LEU 132 Cb 0.51 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1r31 h LEU 132 CO 0.02 0.34 -0.17 -0.09 0.09 0.00 0.00 178.44 178.64 1r31 h ARG 133 N 0.17 0.34 -0.54 1.13 9.65 -0.92 -2.99 114.38 121.23 1r31 h ARG 133 Ca 0.03 -0.10 -0.32 0.00 -1.10 0.00 0.00 59.98 58.50 1r31 h ARG 133 Cb 0.38 -0.04 -0.19 0.00 -1.39 0.00 0.00 29.97 28.73 1r31 h ARG 133 CO 0.02 0.51 -0.01 0.54 2.80 0.00 0.00 179.97 183.83 1r31 n ARG 134 N -4.21 2.20 -0.21 0.20 1.74 -0.77 -4.76 116.66 110.84 1r31 n ARG 134 Ca -0.00 -3.32 -0.07 0.00 -0.77 0.00 0.00 57.85 53.68 1r31 n ARG 134 Cb 0.32 -1.96 0.03 0.00 -1.02 0.00 0.00 32.46 29.82 1r31 n ARG 134 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1r31 h LYS 135 N 1.26 0.88 -0.78 5.56 2.10 -1.21 -1.96 116.57 122.42 1r31 h LYS 135 Ca 0.33 -0.14 0.01 0.00 -2.00 0.00 0.00 60.65 58.85 1r31 h LYS 135 Cb 1.68 -0.15 -0.04 0.00 -0.90 0.00 0.00 32.23 32.82 1r31 h LYS 135 CO 0.64 0.73 0.52 -0.44 -2.00 0.00 0.00 179.45 178.89 1r31 h ASP 136 N 0.82 0.88 -0.37 7.07 3.45 -1.86 0.41 116.42 126.83 1r31 h ASP 136 Ca 0.20 -0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.59 1r31 h ASP 136 Cb 0.16 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.70 1r31 h ASP 136 CO -0.02 0.63 0.01 -0.08 -1.57 0.00 0.00 179.24 178.21 1r31 h GLU 137 N 1.03 0.64 -0.30 3.56 4.81 -1.86 -1.16 114.58 121.31 1r31 h GLU 137 Ca 0.29 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1r31 h GLU 137 Cb -0.09 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1r31 h GLU 137 CO -0.07 0.74 0.05 0.82 -0.73 0.00 0.00 179.01 179.82 1r31 h ILE 138 N 0.46 1.23 -0.66 2.32 2.04 -0.56 -2.26 117.51 120.09 1r31 h ILE 138 Ca 0.11 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.18 1r31 h ILE 138 Cb 0.44 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1r31 h ILE 138 CO 0.02 0.26 0.43 0.40 0.00 0.00 0.00 178.15 179.26 1r31 h ILE 139 N 0.32 1.15 -0.16 -0.67 2.04 -0.09 -1.80 117.51 118.29 1r31 h ILE 139 Ca 0.09 -0.30 -0.16 0.00 1.00 0.00 0.00 64.86 65.50 1r31 h ILE 139 Cb 0.34 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1r31 h ILE 139 CO 0.01 0.16 -0.56 -0.33 0.00 0.00 0.00 178.15 177.42 1r31 h GLU 140 N 0.86 0.50 -0.57 2.37 5.08 -1.01 -2.39 114.58 119.42 1r31 h GLU 140 Ca 0.25 -0.32 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 1r31 h GLU 140 Cb -0.06 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1r31 h GLU 140 CO -0.06 0.93 -0.05 1.25 -1.00 0.00 0.00 179.01 180.08 1r31 h LEU 141 N 0.38 1.02 -0.86 1.33 5.85 -0.84 -1.89 115.31 120.30 1r31 h LEU 141 Ca 0.00 -0.31 -0.10 0.00 0.84 0.00 0.00 57.88 58.31 1r31 h LEU 141 Cb 1.10 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1r31 h LEU 141 CO 0.10 1.10 -0.24 0.00 -0.34 0.00 0.00 178.44 179.06 1r31 h ALA 142 N 1.00 1.03 0.07 1.25 0.00 -1.25 -3.23 119.26 118.13 1r31 h ALA 142 Ca 0.16 -0.35 -0.26 0.00 0.00 0.00 0.00 54.91 54.45 1r31 h ALA 142 Cb 0.61 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1r31 h ALA 142 CO 0.04 0.58 -1.12 -0.91 0.00 0.00 0.00 179.25 177.84 1r31 h ASN 143 N 0.51 0.62 0.12 0.00 2.35 -1.26 -3.09 115.58 114.82 1r31 h ASN 143 Ca 0.07 -0.56 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1r31 h ASN 143 Cb 0.69 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1r31 h ASN 143 CO 0.05 1.38 0.00 -2.11 -1.65 0.00 0.00 177.43 175.10 1r31 n ARG 144 N -3.70 0.07 0.03 0.81 1.85 -0.73 -0.36 116.66 114.64 1r31 n ARG 144 Ca -0.09 0.51 0.13 0.00 -1.00 0.00 0.00 57.85 57.40 1r31 n ARG 144 Cb 0.93 -1.70 0.40 0.00 -1.05 0.00 0.00 32.46 31.04 1r31 n ARG 144 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1r31 n LYS 145 N -1.84 0.11 -3.10 2.89 3.00 -1.17 -4.42 118.16 113.64 1r31 n LYS 145 Ca 0.00 0.06 -0.18 0.00 -0.00 0.00 0.00 58.31 58.19 1r31 n LYS 145 Cb 0.05 -1.60 -0.04 0.00 0.00 0.00 0.00 35.03 33.44 1r31 n LYS 145 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1r31 n ASP 146 N -1.78 -1.36 -0.15 3.14 -0.08 0.52 -4.99 116.55 111.84 1r31 n ASP 146 Ca 0.06 -2.72 -0.07 0.00 -1.51 0.00 0.00 54.79 50.55 1r31 n ASP 146 Cb 0.38 0.31 0.02 0.00 2.34 0.00 0.00 41.12 44.17 1r31 n ASP 146 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1r31 h GLN 147 N 4.82 0.56 -0.19 -0.67 1.08 -1.77 -3.05 115.11 115.89 1r31 h GLN 147 Ca 0.11 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.30 1r31 h GLN 147 Cb 0.97 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 28.24 1r31 h GLN 147 CO 0.31 0.37 0.02 1.25 -0.95 0.00 0.00 178.83 179.82 1r31 h LEU 148 N 0.58 -0.04 -0.42 1.46 5.85 -1.94 -1.72 115.31 119.08 1r31 h LEU 148 Ca 0.18 0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.01 1r31 h LEU 148 Cb -0.01 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 1r31 h LEU 148 CO -0.07 0.01 0.02 0.25 -0.34 0.00 0.00 178.44 178.30 1r31 h LEU 149 N 0.08 -0.14 -0.84 2.25 5.85 -1.92 -0.03 115.31 120.57 1r31 h LEU 149 Ca 0.09 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1r31 h LEU 149 Cb 0.10 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1r31 h LEU 149 CO -0.14 -0.03 0.47 0.78 -0.34 0.00 0.00 178.44 179.18 1r31 h ASN 150 N 0.13 1.04 0.65 1.25 4.21 -1.40 0.58 115.58 122.05 1r31 h ASN 150 Ca 0.21 -0.09 -0.04 0.00 1.21 0.00 0.00 56.30 57.58 1r31 h ASN 150 Cb 0.29 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.22 1r31 h ASN 150 CO -0.33 0.83 -0.19 0.77 -1.29 0.00 0.00 177.43 177.22 1r31 h SER 151 N 1.17 0.00 0.30 5.81 4.64 -0.49 -1.22 113.55 123.76 1r31 h SER 151 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1r31 h SER 151 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1r31 h SER 151 CO -0.05 0.19 -0.08 0.18 -0.87 0.00 0.00 176.83 176.20 1r31 n LEU 152 N -3.51 0.48 0.00 5.97 4.77 -0.10 -4.91 117.00 119.70 1r31 n LEU 152 Ca -0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1r31 n LEU 152 Cb 0.35 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1r31 n LEU 152 CO 0.32 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1r31 n GLY 153 N 1.24 1.11 0.00 -0.72 0.00 -0.46 -5.07 105.19 101.29 1r31 n GLY 153 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1r31 n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r31 n GLY 154 N -1.59 4.80 0.00 -0.02 0.00 0.11 -4.96 105.19 103.53 1r31 n GLY 154 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1r31 n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r31 n GLY 155 N 5.00 2.47 3.68 -0.02 0.00 -0.26 -3.93 105.19 112.13 1r31 n GLY 155 Ca 0.00 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 1r31 n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r31 n ARG 157 N 5.96 0.74 -3.87 0.00 5.12 0.75 -4.96 116.66 120.40 1r31 n ARG 157 Ca 0.17 -0.12 0.02 0.00 -1.93 0.00 0.00 57.85 55.98 1r31 n ARG 157 Cb 0.40 -1.46 0.01 0.00 -1.16 0.00 0.00 32.46 30.26 1r31 n ARG 157 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1r31 n ASP 158 N -2.32 -1.24 -3.86 0.55 2.03 -1.19 -5.02 116.55 105.50 1r31 n ASP 158 Ca -0.12 -1.36 -0.11 0.00 0.52 0.00 0.00 54.79 53.72 1r31 n ASP 158 Cb 0.68 1.95 -0.10 0.00 -0.72 0.00 0.00 41.12 42.93 1r31 n ASP 158 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1r31 s ILE 159 N -2.03 0.07 0.15 5.18 1.01 -1.26 -0.72 121.20 123.60 1r31 s ILE 159 Ca 0.27 -0.54 0.09 0.00 0.00 0.00 0.00 60.65 60.47 1r31 s ILE 159 Cb -0.01 -0.40 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 1r31 s ILE 159 CO 0.00 -0.30 -0.20 -1.61 0.00 0.00 0.00 174.94 172.84 1r31 s GLU 160 N -1.08 1.26 -0.04 2.79 2.02 0.12 -4.97 118.70 118.80 1r31 s GLU 160 Ca -0.12 -1.34 0.00 0.00 0.02 0.00 0.00 54.97 53.53 1r31 s GLU 160 Cb -0.06 -1.42 0.03 0.00 0.10 0.00 0.00 34.13 32.78 1r31 s GLU 160 CO 0.01 0.30 -0.01 0.08 0.02 0.00 0.00 175.26 175.67 1r31 s VAL 161 N -1.71 0.27 0.15 2.63 1.01 -1.26 0.56 120.40 122.05 1r31 s VAL 161 Ca 0.13 0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.26 1r31 s VAL 161 Cb -0.07 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1r31 s VAL 161 CO 0.06 0.18 -0.19 -1.00 0.00 0.00 0.00 175.10 174.15 1r31 s HIS 162 N 1.16 1.83 0.07 5.22 3.76 0.51 -4.99 115.29 122.86 1r31 s HIS 162 Ca -0.08 -0.46 0.05 0.00 -0.15 0.00 0.00 55.06 54.43 1r31 s HIS 162 Cb -0.13 -0.93 -0.03 0.00 1.11 0.00 0.00 32.58 32.60 1r31 s HIS 162 CO -0.02 0.31 -0.15 0.95 -0.85 0.00 0.00 174.74 174.99 1r31 s THR 163 N -1.88 1.20 -0.50 1.30 -4.23 -1.26 0.37 115.64 110.63 1r31 s THR 163 Ca 0.14 -1.26 0.06 0.00 -1.18 0.00 0.00 61.69 59.45 1r31 s THR 163 Cb -0.07 -1.13 0.21 0.00 1.34 0.00 0.00 72.50 72.86 1r31 s THR 163 CO 0.06 -0.14 0.52 0.49 -0.54 0.00 0.00 174.62 175.01 1r31 n PHE 164 N 1.42 0.92 0.33 3.99 3.01 0.89 -4.97 117.46 123.05 1r31 n PHE 164 Ca -0.20 -3.74 0.21 0.00 1.01 0.00 0.00 57.45 54.73 1r31 n PHE 164 Cb 0.54 -0.27 1.14 0.00 -0.01 0.00 0.00 39.48 40.88 1r31 n PHE 164 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1r31 h ALA 165 N 4.71 1.13 -3.39 4.37 0.00 -1.90 0.03 119.26 124.21 1r31 h ALA 165 Ca 0.17 -0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.48 1r31 h ALA 165 Cb 0.82 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.22 1r31 h ALA 165 CO 0.56 -0.04 -0.76 0.34 0.00 0.00 0.00 179.25 179.35 1r31 s ASP 166 N -5.22 4.05 0.04 0.00 -1.08 -1.26 -3.39 116.67 109.81 1r31 s ASP 166 Ca -0.05 -1.57 -0.01 0.00 -0.52 0.00 0.00 52.55 50.40 1r31 s ASP 166 Cb 0.13 -1.08 -0.03 0.00 -1.46 0.00 0.00 42.92 40.48 1r31 s ASP 166 CO 0.42 -0.36 -0.01 0.42 0.52 0.00 0.00 175.17 176.16 1r31 s THR 167 N 1.43 0.18 0.37 1.71 -4.23 -1.22 -5.00 115.64 108.89 1r31 s THR 167 Ca 0.05 -1.51 0.24 0.00 -1.18 0.00 0.00 61.69 59.29 1r31 s THR 167 Cb -0.18 -1.15 0.24 0.00 1.34 0.00 0.00 72.50 72.75 1r31 s THR 167 CO -0.16 -0.83 1.69 1.55 -0.54 0.00 0.00 174.62 176.33 1r31 h PRO 168 N 3.55 0.00 -0.37 3.99 0.13 -1.98 0.33 132.00 137.65 1r31 h PRO 168 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1r31 h PRO 168 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1r31 h PRO 168 CO 0.58 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.89 1r31 n ARG 169 N -2.55 3.11 0.00 0.86 5.12 -1.26 -5.09 116.66 116.85 1r31 n ARG 169 Ca -0.02 -2.57 0.00 0.00 -1.93 0.00 0.00 57.85 53.33 1r31 n ARG 169 Cb 0.32 -1.66 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 1r31 n ARG 169 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1r31 n GLY 170 N 0.18 0.25 3.76 -0.13 0.00 0.12 -4.98 105.19 104.40 1r31 n GLY 170 Ca 0.19 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 1r31 n GLY 170 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1r31 s PRO 171 N -1.13 4.32 0.03 1.61 0.04 -1.22 -3.40 135.00 135.26 1r31 s PRO 171 Ca 0.00 2.25 0.04 0.00 0.04 0.00 0.00 61.00 63.34 1r31 s PRO 171 Cb 0.00 -3.07 -0.02 0.00 0.04 0.00 0.00 34.50 31.45 1r31 s PRO 171 CO 0.00 -0.26 -0.13 -1.64 0.04 0.00 0.00 177.00 175.01 1r31 s MET 172 N -1.51 0.92 -0.08 4.56 -1.94 -0.00 -4.58 119.30 116.66 1r31 s MET 172 Ca 0.51 -0.67 0.04 0.00 -1.71 0.00 0.00 55.69 53.86 1r31 s MET 172 Cb -0.41 -0.91 -0.01 0.00 2.01 0.00 0.00 34.83 35.52 1r31 s MET 172 CO 0.52 0.23 -0.23 -1.17 -0.01 0.00 0.00 175.02 174.36 1r31 s LEU 173 N -0.94 2.16 -0.18 -0.03 0.20 -0.70 -0.08 118.68 119.11 1r31 s LEU 173 Ca 0.02 -0.51 0.00 0.00 0.69 0.00 0.00 54.13 54.33 1r31 s LEU 173 Cb -0.07 -1.42 0.04 0.00 -0.43 0.00 0.00 46.19 44.31 1r31 s LEU 173 CO 0.01 0.20 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.51 1r31 s VAL 174 N 0.11 1.34 0.05 1.68 1.01 0.16 -0.15 120.40 124.59 1r31 s VAL 174 Ca -0.11 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 1r31 s VAL 174 Cb -0.16 -1.48 -0.06 0.00 0.00 0.00 0.00 36.38 34.68 1r31 s VAL 174 CO 0.06 0.13 0.38 0.00 0.00 0.00 0.00 175.10 175.67 1r31 s ALA 175 N 1.53 3.73 -0.17 5.51 0.00 -0.68 -0.36 121.76 131.32 1r31 s ALA 175 Ca -0.00 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.60 1r31 s ALA 175 Cb -0.16 -2.27 0.02 0.00 0.00 0.00 0.00 23.12 20.71 1r31 s ALA 175 CO -0.08 0.56 -0.20 -1.01 0.00 0.00 0.00 175.76 175.03 1r31 s HIS 176 N -1.32 2.72 -0.08 0.00 3.76 0.19 -0.94 115.29 119.62 1r31 s HIS 176 Ca 0.30 -1.57 -0.18 0.00 -0.15 0.00 0.00 55.06 53.47 1r31 s HIS 176 Cb -0.14 -1.88 -0.05 0.00 1.11 0.00 0.00 32.58 31.62 1r31 s HIS 176 CO 0.17 -0.77 0.49 -0.51 -0.85 0.00 0.00 174.74 173.26 1r31 s LEU 177 N 1.22 4.33 -0.36 0.89 1.43 -0.05 -0.71 118.68 125.44 1r31 s LEU 177 Ca 0.03 0.90 -0.13 0.00 -1.03 0.00 0.00 54.13 53.90 1r31 s LEU 177 Cb -0.13 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.37 1r31 s LEU 177 CO -0.11 0.07 0.24 -0.63 0.23 0.00 0.00 176.35 176.15 1r31 s ILE 178 N 0.20 5.07 -0.08 -0.59 -1.09 0.11 -1.52 121.20 123.29 1r31 s ILE 178 Ca 0.26 -0.46 0.04 0.00 -2.23 0.00 0.00 60.65 58.26 1r31 s ILE 178 Cb -0.16 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 1r31 s ILE 178 CO 0.12 -0.11 -0.21 -0.69 -1.23 0.00 0.00 174.94 172.81 1r31 s VAL 179 N 1.67 1.84 -0.33 2.92 1.01 -0.25 -0.18 120.40 127.08 1r31 s VAL 179 Ca 0.05 -0.90 -0.24 0.00 0.00 0.00 0.00 61.98 60.89 1r31 s VAL 179 Cb -0.18 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1r31 s VAL 179 CO 0.09 0.51 0.81 -0.62 0.00 0.00 0.00 175.10 175.89 1r31 s ASP 180 N 0.33 6.64 0.00 3.32 -1.08 -0.82 -0.54 116.67 124.52 1r31 s ASP 180 Ca -0.15 0.58 0.12 0.00 -0.52 0.00 0.00 52.55 52.57 1r31 s ASP 180 Cb -0.17 -2.41 0.17 0.00 -1.46 0.00 0.00 42.92 39.05 1r31 s ASP 180 CO 0.07 -0.68 1.00 1.33 0.52 0.00 0.00 175.17 177.42 1r31 n VAL 181 N 5.65 0.31 -4.66 1.11 0.24 -0.49 -1.11 118.33 119.39 1r31 n VAL 181 Ca 0.04 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 1r31 n VAL 181 Cb 0.48 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 1r31 n VAL 181 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1r31 n ARG 182 N 0.65 0.00 -0.04 7.34 5.12 -1.26 -2.59 116.66 125.89 1r31 n ARG 182 Ca 0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 1r31 n ARG 182 Cb 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.64 1r31 n ARG 182 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1r31 n ASP 183 N 0.60 1.86 -4.42 0.55 8.00 -1.26 -4.70 116.55 117.17 1r31 n ASP 183 Ca 0.00 -1.21 -0.25 0.00 0.71 0.00 0.00 54.79 54.04 1r31 n ASP 183 Cb 0.00 -0.33 -0.11 0.00 -0.02 0.00 0.00 41.12 40.66 1r31 n ASP 183 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r31 s ALA 184 N 0.50 2.52 0.17 2.24 0.00 -1.07 -1.67 121.76 124.46 1r31 s ALA 184 Ca 0.00 -1.71 -0.11 0.00 0.00 0.00 0.00 51.96 50.14 1r31 s ALA 184 Cb 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 23.12 22.92 1r31 s ALA 184 CO 0.00 0.34 1.69 1.98 0.00 0.00 0.00 175.76 179.77 1r31 h MET 185 N 2.86 0.95 0.00 0.00 4.05 -1.79 -3.42 114.93 117.59 1r31 h MET 185 Ca -0.43 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 58.77 1r31 h MET 185 Cb 1.23 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.90 1r31 h MET 185 CO 0.53 0.86 0.00 0.41 0.23 0.00 0.00 176.91 178.95 1r31 n GLY 186 N -0.67 2.04 0.00 1.39 0.00 -1.26 -4.65 105.19 102.04 1r31 n GLY 186 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1r31 n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r31 n ALA 187 N -0.01 -0.11 -0.32 4.61 0.00 -1.26 -1.09 120.51 122.33 1r31 n ALA 187 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1r31 n ALA 187 Cb 0.00 0.38 0.09 0.00 0.00 0.00 0.00 19.45 19.92 1r31 n ALA 187 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1r31 h ASN 188 N 0.00 0.97 0.40 0.00 -0.26 -1.98 -0.13 115.58 114.58 1r31 h ASN 188 Ca 0.00 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.71 1r31 h ASN 188 Cb 0.00 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.01 1r31 h ASN 188 CO 0.00 0.70 -0.32 0.74 -1.06 0.00 0.00 177.43 177.49 1r31 h THR 189 N 1.15 0.34 -0.42 2.81 2.02 -1.96 -1.51 112.91 115.33 1r31 h THR 189 Ca 0.32 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.39 1r31 h THR 189 Cb -0.11 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 1r31 h THR 189 CO -0.08 0.00 -0.19 -0.37 0.37 0.00 0.00 175.52 175.25 1r31 h VAL 190 N -0.72 1.27 -0.24 3.16 -1.51 -0.96 -2.92 116.25 114.32 1r31 h VAL 190 Ca -0.03 -1.30 -0.03 0.00 -1.23 0.00 0.00 66.70 64.11 1r31 h VAL 190 Cb 0.63 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 30.92 1r31 h VAL 190 CO -0.01 0.44 0.02 0.78 -1.23 0.00 0.00 177.57 177.57 1r31 h ASN 191 N 0.72 0.31 -0.36 4.19 2.35 -0.91 -1.87 115.58 120.02 1r31 h ASN 191 Ca 0.10 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 1r31 h ASN 191 Cb 0.70 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1r31 h ASN 191 CO 0.05 0.36 -0.07 0.74 -1.65 0.00 0.00 177.43 176.86 1r31 h THR 192 N 0.34 1.28 -0.25 2.81 2.02 -1.10 -2.36 112.91 115.65 1r31 h THR 192 Ca 0.08 -1.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.04 1r31 h THR 192 Cb 0.20 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1r31 h THR 192 CO 0.00 0.37 -0.25 0.24 0.37 0.00 0.00 175.52 176.25 1r31 h MET 193 N 0.47 0.48 -0.52 6.66 2.86 -1.32 -1.91 114.93 121.66 1r31 h MET 193 Ca 0.09 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1r31 h MET 193 Cb 0.57 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 1r31 h MET 193 CO 0.03 0.70 0.25 0.00 1.06 0.00 0.00 176.91 178.95 1r31 h ALA 194 N 1.31 0.67 -0.42 6.32 0.00 -1.22 -1.55 119.26 124.36 1r31 h ALA 194 Ca 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1r31 h ALA 194 Cb 0.67 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1r31 h ALA 194 CO 0.05 0.23 0.19 0.93 0.00 0.00 0.00 179.25 180.65 1r31 h GLU 195 N 0.69 0.62 -0.28 0.00 4.39 -1.20 -2.14 114.58 116.66 1r31 h GLU 195 Ca 0.18 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1r31 h GLU 195 Cb 0.12 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1r31 h GLU 195 CO -0.02 0.55 0.10 0.00 -1.16 0.00 0.00 179.01 178.47 1r31 h ALA 196 N 1.04 1.66 0.00 3.43 0.00 -1.01 -2.95 119.26 121.42 1r31 h ALA 196 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1r31 h ALA 196 Cb 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1r31 h ALA 196 CO -0.02 0.27 -0.95 0.28 0.00 0.00 0.00 179.25 178.83 1r31 n VAL 197 N -4.41 0.51 -0.22 0.00 0.31 -0.61 -4.42 118.33 109.48 1r31 n VAL 197 Ca 0.01 -0.46 0.01 0.00 -0.01 0.00 0.00 64.34 63.89 1r31 n VAL 197 Cb 0.14 -0.23 0.10 0.00 -0.91 0.00 0.00 33.84 32.94 1r31 n VAL 197 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r31 h ALA 198 N 2.16 0.58 -0.17 3.52 0.00 -1.20 -1.91 119.26 122.25 1r31 h ALA 198 Ca 0.00 0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1r31 h ALA 198 Cb 0.92 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1r31 h ALA 198 CO 0.00 -0.41 -0.01 -1.35 0.00 0.00 0.00 179.25 177.47 1r31 h PRO 199 N 0.07 0.03 -1.01 0.00 0.11 -1.77 -1.61 132.00 127.82 1r31 h PRO 199 Ca 0.34 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.46 1r31 h PRO 199 Cb 0.55 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.60 1r31 h PRO 199 CO -0.60 0.02 0.67 1.25 -0.21 0.00 0.00 178.00 179.13 1r31 h LEU 200 N 0.04 1.15 -0.92 2.35 5.85 -1.69 -1.90 115.31 120.17 1r31 h LEU 200 Ca 0.08 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1r31 h LEU 200 Cb 0.10 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1r31 h LEU 200 CO -0.14 0.82 -0.01 0.24 -0.34 0.00 0.00 178.44 179.01 1r31 h MET 201 N 1.35 0.78 -0.68 1.25 2.86 -1.01 -1.49 114.93 117.99 1r31 h MET 201 Ca 0.38 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.73 1r31 h MET 201 Cb -0.13 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.41 1r31 h MET 201 CO -0.09 0.80 0.14 0.93 1.06 0.00 0.00 176.91 179.75 1r31 h GLU 202 N 0.73 1.11 -0.68 1.72 5.08 -0.70 -0.65 114.58 121.20 1r31 h GLU 202 Ca 0.14 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 1r31 h GLU 202 Cb 0.46 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1r31 h GLU 202 CO 0.02 1.00 0.16 0.00 -1.00 0.00 0.00 179.01 179.19 1r31 h ALA 203 N 1.07 0.90 -0.20 3.43 0.00 -0.97 0.43 119.26 123.92 1r31 h ALA 203 Ca 0.21 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1r31 h ALA 203 Cb 0.41 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1r31 h ALA 203 CO 0.01 0.63 -0.47 0.82 0.00 0.00 0.00 179.25 180.23 1r31 h ILE 204 N 1.03 1.32 0.00 0.00 2.04 -1.06 -3.35 117.51 117.48 1r31 h ILE 204 Ca 0.21 -1.70 -0.24 0.00 1.00 0.00 0.00 64.86 64.13 1r31 h ILE 204 Cb 0.37 1.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.29 1r31 h ILE 204 CO 0.00 0.53 -1.67 0.35 0.00 0.00 0.00 178.15 177.36 1r31 n THR 205 N -4.18 1.37 -0.92 -0.27 -2.24 -0.27 -4.93 114.28 102.84 1r31 n THR 205 Ca -0.06 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1r31 n THR 205 Cb 0.58 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 1r31 n THR 205 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r31 n GLY 206 N 1.50 0.63 2.53 3.38 0.00 0.15 -4.95 105.19 108.44 1r31 n GLY 206 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 1r31 n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r31 n GLY 207 N -2.72 2.07 3.39 -0.02 0.00 -1.24 -4.83 105.19 101.84 1r31 n GLY 207 Ca 0.00 -2.20 -0.35 0.00 0.00 0.00 0.00 46.02 43.47 1r31 n GLY 207 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1r31 s GLN 208 N -3.68 3.53 0.23 1.61 0.74 0.13 -4.69 119.66 117.53 1r31 s GLN 208 Ca 0.37 -0.56 -0.30 0.00 0.05 0.00 0.00 55.36 54.93 1r31 s GLN 208 Cb -0.03 -3.09 -0.09 0.00 1.10 0.00 0.00 33.01 30.90 1r31 s GLN 208 CO 0.23 -0.10 1.20 0.08 -0.55 0.00 0.00 175.29 176.15 1r31 s VAL 209 N 1.29 3.41 0.00 1.34 1.01 -1.26 -0.80 120.40 125.38 1r31 s VAL 209 Ca 0.04 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.27 1r31 s VAL 209 Cb -0.15 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1r31 s VAL 209 CO 0.00 0.24 0.00 0.54 0.00 0.00 0.00 175.10 175.88 1r31 n ARG 210 N 2.00 0.00 -3.36 2.72 5.12 0.06 -4.94 116.66 118.26 1r31 n ARG 210 Ca 0.03 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.72 1r31 n ARG 210 Cb 0.44 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.73 1r31 n ARG 210 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1r31 s LEU 211 N -1.59 3.95 -0.29 0.55 1.43 -1.26 -4.97 118.68 116.51 1r31 s LEU 211 Ca 0.00 0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1r31 s LEU 211 Cb 0.00 -3.18 0.15 0.00 0.03 0.00 0.00 46.19 43.20 1r31 s LEU 211 CO 0.00 -0.38 0.38 -0.13 0.23 0.00 0.00 176.35 176.45 1r31 s ARG 212 N -4.33 0.39 0.02 1.70 0.52 -1.26 -2.61 118.95 113.39 1r31 s ARG 212 Ca 0.42 0.07 -0.28 0.00 -0.52 0.00 0.00 55.73 55.42 1r31 s ARG 212 Cb -0.10 -0.39 0.07 0.00 0.52 0.00 0.00 34.95 35.06 1r31 s ARG 212 CO 0.35 -1.03 0.68 -1.50 0.02 0.00 0.00 175.30 173.82 1r31 s ILE 213 N 2.50 0.00 1.02 1.52 1.10 -0.54 -4.88 121.20 121.91 1r31 s ILE 213 Ca 0.10 0.00 -0.12 0.00 -0.51 0.00 0.00 60.65 60.11 1r31 s ILE 213 Cb -0.13 -1.00 0.20 0.00 0.15 0.00 0.00 42.46 41.68 1r31 s ILE 213 CO -0.31 0.00 1.08 -1.48 -2.11 0.00 0.00 174.94 172.12 1r31 s LEU 214 N -1.80 1.56 -0.11 8.50 2.34 -1.26 -0.31 118.68 127.60 1r31 s LEU 214 Ca -0.06 1.31 0.02 0.00 0.06 0.00 0.00 54.13 55.47 1r31 s LEU 214 Cb -0.00 -3.48 -0.01 0.00 -0.56 0.00 0.00 46.19 42.14 1r31 s LEU 214 CO 0.01 -3.28 -0.18 -0.55 -1.06 0.00 0.00 176.35 171.28 1r31 s SER 215 N -3.25 3.60 0.00 1.48 0.15 -0.99 -4.70 113.70 109.99 1r31 s SER 215 Ca 0.66 -0.43 0.28 0.00 0.70 0.00 0.00 55.95 57.16 1r31 s SER 215 Cb -0.20 -1.47 1.32 0.00 -1.71 0.00 0.00 66.02 63.97 1r31 s SER 215 CO 0.59 0.17 1.93 0.59 1.20 0.00 0.00 173.24 177.73 1r31 n ASN 216 N 3.45 0.00 -4.09 5.45 3.02 -1.26 -4.17 115.26 117.65 1r31 n ASN 216 Ca -0.18 0.13 -0.43 0.00 -0.03 0.00 0.00 54.58 54.07 1r31 n ASN 216 Cb 0.53 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1r31 n ASN 216 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1r31 n LEU 217 N -1.37 6.10 -3.42 3.41 7.94 -1.26 -3.59 117.00 124.81 1r31 n LEU 217 Ca 0.11 -4.52 -0.38 0.00 -1.11 0.00 0.00 56.01 50.10 1r31 n LEU 217 Cb 0.26 -1.55 -0.02 0.00 0.53 0.00 0.00 43.42 42.64 1r31 n LEU 217 CO 0.23 1.09 3.07 0.00 -1.11 0.00 0.00 177.39 180.67 1r31 n ALA 218 N 4.81 6.60 1.44 1.96 0.00 -1.26 -4.72 120.51 129.33 1r31 n ALA 218 Ca 0.40 -3.45 0.08 0.00 0.00 0.00 0.00 53.44 50.47 1r31 n ALA 218 Cb 0.39 -3.39 0.49 0.00 0.00 0.00 0.00 19.45 16.94 1r31 n ALA 218 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1r31 n ASP 219 N 4.44 0.00 -0.73 0.00 3.85 -1.26 -2.07 116.55 120.78 1r31 n ASP 219 Ca 0.67 -0.92 0.09 0.00 -0.71 0.00 0.00 54.79 53.92 1r31 n ASP 219 Cb 0.27 0.00 0.09 0.00 -1.35 0.00 0.00 41.12 40.12 1r31 n ASP 219 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1r31 n LEU 220 N -0.86 2.54 -3.50 -2.12 4.77 -1.26 -4.62 117.00 111.96 1r31 n LEU 220 Ca 0.12 -1.07 -0.27 0.00 -0.03 0.00 0.00 56.01 54.76 1r31 n LEU 220 Cb 0.06 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.03 1r31 n LEU 220 CO 0.09 0.46 0.03 -1.14 -1.33 0.00 0.00 177.39 175.51 1r31 n ARG 221 N 1.00 2.25 -3.67 3.23 0.63 -0.88 -4.14 116.66 115.08 1r31 n ARG 221 Ca 0.11 -4.52 -0.32 0.00 -0.92 0.00 0.00 57.85 52.19 1r31 n ARG 221 Cb 0.45 -2.19 -0.05 0.00 0.45 0.00 0.00 32.46 31.12 1r31 n ARG 221 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1r31 s LEU 222 N -2.17 4.29 0.04 6.15 1.43 -1.26 -1.40 118.68 125.76 1r31 s LEU 222 Ca 0.37 0.61 0.06 0.00 -1.03 0.00 0.00 54.13 54.14 1r31 s LEU 222 Cb 0.11 -3.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.10 1r31 s LEU 222 CO -0.05 0.09 -0.17 0.00 0.23 0.00 0.00 176.35 176.45 1r31 s ALA 223 N -1.59 1.44 0.02 4.21 0.00 -0.68 -1.48 121.76 123.69 1r31 s ALA 223 Ca 0.39 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.45 1r31 s ALA 223 Cb -0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1r31 s ALA 223 CO 0.23 0.30 -0.09 1.03 0.00 0.00 0.00 175.76 177.23 1r31 s ARG 224 N -1.14 0.63 0.02 0.00 0.52 0.31 -2.35 118.95 116.94 1r31 s ARG 224 Ca 0.04 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.71 1r31 s ARG 224 Cb -0.08 -0.55 -0.02 0.00 0.52 0.00 0.00 34.95 34.82 1r31 s ARG 224 CO 0.01 0.13 -0.03 0.00 0.02 0.00 0.00 175.30 175.44 1r31 s ALA 225 N -0.74 0.16 0.06 2.13 0.00 -0.58 -1.90 121.76 120.90 1r31 s ALA 225 Ca -0.02 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.47 1r31 s ALA 225 Cb -0.06 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1r31 s ALA 225 CO 0.00 -0.11 -0.12 -0.65 0.00 0.00 0.00 175.76 174.88 1r31 s GLN 226 N -1.23 0.74 0.04 0.00 -0.21 -0.10 -1.79 119.66 117.10 1r31 s GLN 226 Ca -0.13 -0.91 -0.09 0.00 0.02 0.00 0.00 55.36 54.25 1r31 s GLN 226 Cb -0.08 -0.66 0.00 0.00 1.00 0.00 0.00 33.01 33.27 1r31 s GLN 226 CO -0.01 0.14 0.18 0.54 -2.12 0.00 0.00 175.29 174.03 1r31 s VAL 227 N -1.37 0.11 -0.02 1.09 0.11 -0.81 -2.45 120.40 117.06 1r31 s VAL 227 Ca -0.04 -0.90 0.01 0.00 -2.93 0.00 0.00 61.98 58.12 1r31 s VAL 227 Cb -0.10 -0.89 0.01 0.00 -1.53 0.00 0.00 36.38 33.88 1r31 s VAL 227 CO 0.02 -0.50 -0.02 -0.60 -3.33 0.00 0.00 175.10 170.67 1r31 s ARG 228 N -2.51 0.31 -0.02 1.54 3.52 -1.26 -1.90 118.95 118.63 1r31 s ARG 228 Ca -0.06 -0.02 0.03 0.00 -0.13 0.00 0.00 55.73 55.56 1r31 s ARG 228 Cb -0.01 -0.40 -0.00 0.00 -1.56 0.00 0.00 34.95 32.98 1r31 s ARG 228 CO -0.04 -0.04 -0.09 0.42 -0.81 0.00 0.00 175.30 174.74 1r31 s ILE 229 N 0.54 0.78 0.16 4.11 -1.09 0.03 -4.68 121.20 121.05 1r31 s ILE 229 Ca -0.05 -0.39 0.03 0.00 -2.23 0.00 0.00 60.65 58.00 1r31 s ILE 229 Cb -0.08 -0.67 -0.03 0.00 -1.58 0.00 0.00 42.46 40.09 1r31 s ILE 229 CO -0.01 0.23 0.30 0.42 -1.23 0.00 0.00 174.94 174.65 1r31 s THR 230 N -0.03 5.31 0.37 2.92 -4.23 -1.26 -0.33 115.64 118.39 1r31 s THR 230 Ca 0.01 -0.71 0.08 0.00 -1.18 0.00 0.00 61.69 59.88 1r31 s THR 230 Cb -0.06 -3.76 0.30 0.00 1.34 0.00 0.00 72.50 70.33 1r31 s THR 230 CO 0.00 -0.13 1.95 1.55 -0.54 0.00 0.00 174.62 177.45 1r31 h PRO 231 N 2.01 0.66 -0.60 3.99 0.13 -1.85 -1.75 132.00 134.60 1r31 h PRO 231 Ca -0.49 -0.04 0.07 0.00 -0.87 0.00 0.00 66.00 64.67 1r31 h PRO 231 Cb 1.20 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 1r31 h PRO 231 CO 0.68 0.44 0.40 0.37 -0.23 0.00 0.00 178.00 179.65 1r31 h GLN 232 N 0.68 0.52 0.00 0.86 5.75 -1.95 -1.88 115.11 119.10 1r31 h GLN 232 Ca 0.33 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.76 1r31 h GLN 232 Cb 0.38 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.81 1r31 h GLN 232 CO -0.11 0.35 -0.16 1.96 -2.65 0.00 0.00 178.83 178.22 1r31 h GLN 233 N 0.54 0.00 -0.18 1.69 4.20 -1.72 -3.26 115.11 116.39 1r31 h GLN 233 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1r31 h GLN 233 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1r31 h GLN 233 CO -0.08 0.16 0.00 1.28 -0.67 0.00 0.00 178.83 179.52 1r31 n LEU 234 N -3.20 3.09 -4.73 1.46 4.77 -0.73 -4.97 117.00 112.69 1r31 n LEU 234 Ca 0.02 -1.22 -0.42 0.00 -0.03 0.00 0.00 56.01 54.36 1r31 n LEU 234 Cb 0.49 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1r31 n LEU 234 CO 0.34 0.59 1.09 -0.70 -1.33 0.00 0.00 177.39 177.37 1r31 s GLU 235 N -1.68 4.30 0.32 3.23 2.12 -1.06 -4.53 118.70 121.40 1r31 s GLU 235 Ca 0.31 2.17 0.01 0.00 0.36 0.00 0.00 54.97 57.82 1r31 s GLU 235 Cb 0.20 -3.19 0.01 0.00 0.26 0.00 0.00 34.13 31.41 1r31 s GLU 235 CO 0.29 -0.43 0.07 0.25 -0.54 0.00 0.00 175.26 174.90 1r31 n THR 236 N 3.35 0.00 0.14 -1.70 -2.24 -0.08 -4.91 114.28 108.84 1r31 n THR 236 Ca 0.10 -1.41 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 1r31 n THR 236 Cb 0.41 0.14 0.16 0.00 -2.10 0.00 0.00 70.33 68.95 1r31 n THR 236 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r31 h ALA 237 N 1.02 0.85 0.04 6.98 0.00 -2.01 -3.32 119.26 122.83 1r31 h ALA 237 Ca -0.24 -0.53 -0.35 0.00 0.00 0.00 0.00 54.91 53.78 1r31 h ALA 237 Cb 0.77 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1r31 h ALA 237 CO 0.40 0.73 -2.10 0.39 0.00 0.00 0.00 179.25 178.67 1r31 n GLU 238 N -3.58 0.69 -4.32 0.00 4.71 -1.26 -4.99 120.64 111.89 1r31 n GLU 238 Ca -0.00 0.20 -0.25 0.00 -0.01 0.00 0.00 57.16 57.10 1r31 n GLU 238 Cb 0.64 -1.66 -0.13 0.00 -1.01 0.00 0.00 31.44 29.29 1r31 n GLU 238 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1r31 s PHE 239 N -2.55 1.87 0.61 -0.32 0.40 -1.25 -5.13 117.98 111.60 1r31 s PHE 239 Ca -0.18 -0.41 -0.13 0.00 -0.60 0.00 0.00 56.93 55.60 1r31 s PHE 239 Cb 0.07 -1.03 -0.04 0.00 0.51 0.00 0.00 43.02 42.54 1r31 s PHE 239 CO 0.76 0.22 1.03 -1.54 0.70 0.00 0.00 175.22 176.39 1r31 s SER 240 N -1.90 6.01 0.24 1.36 1.04 -1.26 -0.90 113.70 118.29 1r31 s SER 240 Ca 0.08 1.60 -0.05 0.00 0.48 0.00 0.00 55.95 58.06 1r31 s SER 240 Cb -0.10 -2.50 0.37 0.00 0.10 0.00 0.00 66.02 63.89 1r31 s SER 240 CO 0.04 -1.01 1.81 1.23 0.98 0.00 0.00 173.24 176.30 1r31 h GLY 241 N 0.07 1.25 1.57 7.32 0.00 -1.80 -1.68 103.07 109.80 1r31 h GLY 241 Ca -0.45 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 46.51 1r31 h GLY 241 CO 0.59 0.15 -0.01 0.83 0.00 0.00 0.00 176.54 178.10 1r31 h GLU 242 N 0.80 0.54 -0.37 4.80 3.07 -1.93 -2.48 114.58 119.01 1r31 h GLU 242 Ca 0.38 -0.12 -0.10 0.00 -0.50 0.00 0.00 59.36 59.03 1r31 h GLU 242 Cb 0.32 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1r31 h GLU 242 CO -0.23 0.57 -0.16 0.00 -1.40 0.00 0.00 179.01 177.79 1r31 h ALA 243 N 1.48 0.52 -0.51 3.43 0.00 -1.70 -2.44 119.26 120.04 1r31 h ALA 243 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1r31 h ALA 243 Cb 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1r31 h ALA 243 CO 0.01 0.44 0.32 0.28 0.00 0.00 0.00 179.25 180.30 1r31 h VAL 244 N 0.56 1.14 -0.94 0.00 2.07 -1.12 -0.71 116.25 117.25 1r31 h VAL 244 Ca 0.09 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1r31 h VAL 244 Cb 0.70 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1r31 h VAL 244 CO 0.05 0.14 0.59 0.40 0.02 0.00 0.00 177.57 178.78 1r31 h ILE 245 N 0.68 1.25 -0.43 4.57 2.04 -1.40 0.30 117.51 124.52 1r31 h ILE 245 Ca 0.18 -0.51 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 1r31 h ILE 245 Cb -0.04 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 35.91 1r31 h ILE 245 CO -0.04 0.25 -0.08 -0.33 0.00 0.00 0.00 178.15 177.96 1r31 h GLU 246 N 1.29 0.75 -0.38 2.37 4.39 -0.91 -1.31 114.58 120.78 1r31 h GLU 246 Ca 0.34 -0.23 -0.12 0.00 0.34 0.00 0.00 59.36 59.69 1r31 h GLU 246 Cb -0.10 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 1r31 h GLU 246 CO -0.07 0.81 -0.23 0.78 -1.16 0.00 0.00 179.01 179.15 1r31 h GLY 247 N 0.97 0.82 1.22 -3.84 0.00 -0.13 -1.97 103.07 100.15 1r31 h GLY 247 Ca 0.12 -0.71 -0.12 0.00 0.00 0.00 0.00 47.33 46.63 1r31 h GLY 247 CO 0.03 0.64 -0.19 -2.22 0.00 0.00 0.00 176.54 174.81 1r31 h ILE 248 N 0.66 1.27 -0.38 2.60 2.04 -0.62 -1.81 117.51 121.27 1r31 h ILE 248 Ca 0.09 -1.32 -0.06 0.00 1.00 0.00 0.00 64.86 64.56 1r31 h ILE 248 Cb 0.74 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1r31 h ILE 248 CO 0.06 0.45 -0.04 -0.07 0.00 0.00 0.00 178.15 178.56 1r31 h LEU 249 N 0.79 0.58 -0.58 1.44 3.38 -1.06 -1.12 115.31 118.74 1r31 h LEU 249 Ca 0.11 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1r31 h LEU 249 Cb 0.73 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1r31 h LEU 249 CO 0.06 0.68 0.18 0.44 0.09 0.00 0.00 178.44 179.89 1r31 h ASP 250 N 0.58 0.85 -0.70 -0.43 3.32 -0.95 -1.42 116.42 117.68 1r31 h ASP 250 Ca 0.12 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1r31 h ASP 250 Cb 0.42 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1r31 h ASP 250 CO 0.02 0.84 0.32 0.00 -1.72 0.00 0.00 179.24 178.69 1r31 h ALA 251 N 1.05 0.90 -0.35 3.45 0.00 -0.77 -1.54 119.26 121.99 1r31 h ALA 251 Ca 0.19 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1r31 h ALA 251 Cb 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1r31 h ALA 251 CO -0.01 0.48 0.07 -0.92 0.00 0.00 0.00 179.25 178.88 1r31 h TYR 252 N 0.98 0.60 -1.01 0.00 3.20 -0.99 -2.06 116.97 117.70 1r31 h TYR 252 Ca 0.24 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 62.06 1r31 h TYR 252 Cb 0.15 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.19 1r31 h TYR 252 CO 0.01 0.61 0.66 0.00 -1.64 0.00 0.00 178.16 177.80 1r31 h ALA 253 N 0.92 1.32 -0.45 1.82 0.00 -1.05 -0.78 119.26 121.03 1r31 h ALA 253 Ca 0.11 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1r31 h ALA 253 Cb 0.32 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1r31 h ALA 253 CO 0.00 0.58 0.27 0.35 0.00 0.00 0.00 179.25 180.45 1r31 h PHE 254 N 1.29 0.50 -0.12 0.00 3.57 -0.98 -2.46 116.94 118.74 1r31 h PHE 254 Ca 0.39 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.81 1r31 h PHE 254 Cb -0.03 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1r31 h PHE 254 CO -0.00 0.29 -0.35 0.00 -2.23 0.00 0.00 178.31 176.02 1r31 h ALA 255 N 1.20 1.18 0.00 2.41 0.00 -0.67 -1.85 119.26 121.53 1r31 h ALA 255 Ca 0.18 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1r31 h ALA 255 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1r31 h ALA 255 CO -0.08 0.55 -0.25 0.00 0.00 0.00 0.00 179.25 179.46 1r31 h ALA 256 N 1.42 1.12 0.00 0.00 0.00 -0.71 -3.32 119.26 117.77 1r31 h ALA 256 Ca 0.03 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 1r31 h ALA 256 Cb 0.73 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1r31 h ALA 256 CO 0.06 0.31 -1.88 0.28 0.00 0.00 0.00 179.25 178.02 1r31 n VAL 257 N -3.56 0.69 -3.83 0.00 0.31 -1.05 -4.81 118.33 106.07 1r31 n VAL 257 Ca -0.01 -0.52 -0.36 0.00 -0.01 0.00 0.00 64.34 63.44 1r31 n VAL 257 Cb 0.40 -0.40 -0.13 0.00 -0.91 0.00 0.00 33.84 32.79 1r31 n VAL 257 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1r31 s ASP 258 N -4.44 5.09 0.56 4.52 2.15 -0.71 -4.98 116.67 118.86 1r31 s ASP 258 Ca -0.07 -1.19 0.28 0.00 0.43 0.00 0.00 52.55 52.00 1r31 s ASP 258 Cb 0.06 -1.79 1.48 0.00 -0.30 0.00 0.00 42.92 42.37 1r31 s ASP 258 CO 0.59 -0.29 1.98 -0.65 -0.17 0.00 0.00 175.17 176.63 1r31 h PRO 259 N 8.11 0.00 -0.04 4.34 0.11 -1.82 -0.14 132.00 142.55 1r31 h PRO 259 Ca -0.23 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.81 1r31 h PRO 259 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1r31 h PRO 259 CO 0.57 0.00 -0.30 1.88 -0.21 0.00 0.00 178.00 179.94 1r31 h TYR 260 N 0.00 0.09 0.08 0.65 -1.99 -1.93 -2.06 116.97 111.80 1r31 h TYR 260 Ca 0.22 -0.02 -0.34 0.00 2.00 0.00 0.00 58.73 60.59 1r31 h TYR 260 Cb 1.01 -0.02 -0.03 0.00 2.00 0.00 0.00 36.73 39.68 1r31 h TYR 260 CO 0.00 0.38 -1.92 -2.13 -0.00 0.00 0.00 178.16 174.49 1r31 n ARG 261 N -4.16 0.71 -0.34 4.88 3.00 -0.21 -4.05 116.66 116.49 1r31 n ARG 261 Ca -0.02 0.27 0.00 0.00 -0.00 0.00 0.00 57.85 58.10 1r31 n ARG 261 Cb 0.36 -1.73 0.14 0.00 0.00 0.00 0.00 32.46 31.23 1r31 n ARG 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1r31 h ALA 262 N 0.40 1.26 -0.66 5.13 0.00 -1.02 0.34 119.26 124.71 1r31 h ALA 262 Ca -0.38 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1r31 h ALA 262 Cb 2.03 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1r31 h ALA 262 CO 0.08 0.42 0.39 0.00 0.00 0.00 0.00 179.25 180.14 1r31 h ALA 263 N 1.41 0.84 -0.31 0.00 0.00 -1.55 0.31 119.26 119.96 1r31 h ALA 263 Ca 0.39 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 1r31 h ALA 263 Cb 0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1r31 h ALA 263 CO -0.15 0.32 -0.37 1.15 0.00 0.00 0.00 179.25 180.20 1r31 h THR 264 N 0.90 1.29 -0.01 0.00 2.02 -1.53 -0.35 112.91 115.22 1r31 h THR 264 Ca 0.24 -1.55 0.01 0.00 0.77 0.00 0.00 66.41 65.87 1r31 h THR 264 Cb -0.02 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1r31 h THR 264 CO -0.04 0.51 -0.04 -0.74 0.37 0.00 0.00 175.52 175.57 1r31 h HIS 265 N 0.57 -0.10 -0.06 3.16 2.76 0.04 -2.11 115.15 119.42 1r31 h HIS 265 Ca 0.04 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.12 1r31 h HIS 265 Cb 0.96 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 1r31 h HIS 265 CO 0.07 -0.06 -0.40 -0.91 -1.30 0.00 0.00 177.93 175.32 1r31 h ASN 266 N -0.07 0.12 -0.72 3.26 2.35 -0.34 -2.78 115.58 117.40 1r31 h ASN 266 Ca 0.02 -0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1r31 h ASN 266 Cb 0.09 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 1r31 h ASN 266 CO -0.05 0.52 0.47 0.50 -1.65 0.00 0.00 177.43 177.22 1r31 h LYS 267 N 0.10 0.92 -0.57 0.81 3.11 -0.62 -1.57 116.57 118.74 1r31 h LYS 267 Ca 0.01 -0.06 0.02 0.00 -2.81 0.00 0.00 60.65 57.81 1r31 h LYS 267 Cb 0.76 -0.21 -0.03 0.00 -1.00 0.00 0.00 32.23 31.75 1r31 h LYS 267 CO 0.06 0.61 0.38 0.78 -2.81 0.00 0.00 179.45 178.47 1r31 h GLY 268 N 0.95 0.78 0.95 5.01 0.00 -1.11 -1.02 103.07 108.63 1r31 h GLY 268 Ca 0.27 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1r31 h GLY 268 CO -0.08 0.26 0.03 -2.22 0.00 0.00 0.00 176.54 174.53 1r31 h ILE 269 N 0.72 1.25 0.00 2.60 2.04 -1.26 -2.74 117.51 120.12 1r31 h ILE 269 Ca 0.22 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1r31 h ILE 269 Cb 0.01 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1r31 h ILE 269 CO -0.05 0.32 0.00 0.24 0.00 0.00 0.00 178.15 178.66 1r31 h MET 270 N 0.54 0.00 0.00 2.37 2.86 -0.54 -1.97 114.93 118.19 1r31 h MET 270 Ca 0.12 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1r31 h MET 270 Cb 0.43 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1r31 h MET 270 CO 0.01 0.00 -0.20 -0.91 1.06 0.00 0.00 176.91 176.88 1r31 h ASN 271 N 0.00 0.00 0.16 1.22 2.35 -0.91 -0.98 115.58 117.42 1r31 h ASN 271 Ca 0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.41 1r31 h ASN 271 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1r31 h ASN 271 CO 0.00 0.20 -1.76 1.23 -1.65 0.00 0.00 177.43 175.45 1r31 h GLY 272 N 0.70 0.38 0.22 2.83 0.00 -1.40 -3.40 103.07 102.40 1r31 h GLY 272 Ca -0.00 -0.98 -0.00 0.00 0.00 0.00 0.00 47.33 46.34 1r31 h GLY 272 CO 0.03 0.86 -0.02 -2.22 0.00 0.00 0.00 176.54 175.18 1r31 h ILE 273 N 0.02 1.27 -0.87 2.60 2.04 -1.31 -3.37 117.51 117.89 1r31 h ILE 273 Ca -0.36 -1.60 0.16 0.00 1.00 0.00 0.00 64.86 64.06 1r31 h ILE 273 Cb 2.02 2.24 -0.10 0.00 -0.74 0.00 0.00 36.82 40.24 1r31 h ILE 273 CO 0.13 0.37 0.44 0.44 0.00 0.00 0.00 178.15 179.53 1r31 h ASP 274 N -0.85 0.51 -0.05 1.72 5.19 -1.43 -1.27 116.42 120.24 1r31 h ASP 274 Ca -0.01 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1r31 h ASP 274 Cb 0.66 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.19 1r31 h ASP 274 CO 0.01 0.18 0.04 -0.65 -3.12 0.00 0.00 179.24 175.70 1r31 h PRO 275 N 0.59 0.06 0.02 3.56 0.11 -1.75 -0.32 132.00 134.27 1r31 h PRO 275 Ca 0.49 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.39 1r31 h PRO 275 Cb 0.74 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.82 1r31 h PRO 275 CO -0.39 0.04 -0.93 1.25 -0.21 0.00 0.00 178.00 177.75 1r31 h LEU 276 N 0.06 0.17 -0.14 2.35 5.85 -1.40 -1.72 115.31 120.48 1r31 h LEU 276 Ca 0.02 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1r31 h LEU 276 Cb 0.01 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1r31 h LEU 276 CO -0.00 1.01 -0.03 0.40 -0.34 0.00 0.00 178.44 179.47 1r31 h ILE 277 N 0.06 1.29 -0.47 4.05 1.08 -0.81 -2.61 117.51 120.09 1r31 h ILE 277 Ca -0.04 -0.98 -0.00 0.00 -0.39 0.00 0.00 64.86 63.45 1r31 h ILE 277 Cb 1.60 1.65 -0.02 0.00 -3.07 0.00 0.00 36.82 36.98 1r31 h ILE 277 CO 0.14 0.29 0.29 0.58 -0.69 0.00 0.00 178.15 178.75 1r31 h VAL 278 N -0.03 1.14 -0.06 1.67 2.07 -1.13 -0.56 116.25 119.36 1r31 h VAL 278 Ca 0.04 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1r31 h VAL 278 Cb 0.46 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1r31 h VAL 278 CO 0.01 0.14 0.05 0.00 0.02 0.00 0.00 177.57 177.80 1r31 h ALA 279 N 1.14 1.82 -0.56 1.67 0.00 -1.32 -1.38 119.26 120.62 1r31 h ALA 279 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1r31 h ALA 279 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1r31 h ALA 279 CO -0.03 -0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.38 1r31 n THR 280 N -4.15 2.18 -1.36 0.00 -2.24 -0.99 -4.14 114.28 103.57 1r31 n THR 280 Ca -0.02 -1.35 -0.12 0.00 -2.27 0.00 0.00 64.05 60.29 1r31 n THR 280 Cb 0.15 -0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.29 1r31 n THR 280 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r31 n GLY 281 N 0.73 1.30 3.94 3.38 0.00 -0.52 -4.35 105.19 109.67 1r31 n GLY 281 Ca 0.25 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1r31 n GLY 281 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r31 s ASN 282 N -2.70 5.56 -0.56 1.61 -0.87 -0.25 -3.26 114.94 114.47 1r31 s ASN 282 Ca 0.00 0.48 -0.28 0.00 -1.57 0.00 0.00 52.86 51.48 1r31 s ASN 282 Cb 0.00 -1.51 0.03 0.00 -0.02 0.00 0.00 41.25 39.75 1r31 s ASN 282 CO 0.00 -1.01 1.20 -0.62 -2.57 0.00 0.00 177.10 174.10 1r31 s ASP 283 N -4.31 6.46 0.43 -1.22 -1.08 -1.26 -4.42 116.67 111.26 1r31 s ASP 283 Ca 0.53 0.20 0.25 0.00 -0.52 0.00 0.00 52.55 53.01 1r31 s ASP 283 Cb -0.10 -2.55 0.54 0.00 -1.46 0.00 0.00 42.92 39.34 1r31 s ASP 283 CO 0.42 -1.46 1.68 4.11 0.52 0.00 0.00 175.17 180.44 1r31 h TRP 284 N 9.62 0.00 -0.23 -5.34 0.09 -1.93 -3.15 115.95 114.99 1r31 h TRP 284 Ca -0.25 0.00 -0.17 0.00 0.09 0.00 0.00 58.89 58.57 1r31 h TRP 284 Cb 1.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 30.30 1r31 h TRP 284 CO 1.03 0.00 -0.53 0.00 0.09 0.00 0.00 178.44 179.03 1r31 h ARG 285 N 0.00 0.68 -0.55 0.12 -0.00 -1.99 -1.98 114.38 110.65 1r31 h ARG 285 Ca 0.00 -0.42 -0.04 0.00 -0.50 0.00 0.00 59.98 59.02 1r31 h ARG 285 Cb 0.90 0.04 -0.02 0.00 0.00 0.00 0.00 29.97 30.89 1r31 h ARG 285 CO 0.00 1.04 0.18 0.00 0.00 0.00 0.00 179.97 181.19 1r31 h ALA 286 N 0.88 0.72 -0.50 0.04 0.00 -1.96 -1.39 119.26 117.05 1r31 h ALA 286 Ca 0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1r31 h ALA 286 Cb 1.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1r31 h ALA 286 CO 0.11 0.37 -0.17 0.28 0.00 0.00 0.00 179.25 179.84 1r31 h VAL 287 N 0.77 1.27 -0.34 0.00 2.07 -1.52 -2.43 116.25 116.05 1r31 h VAL 287 Ca 0.18 -1.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.32 1r31 h VAL 287 Cb 0.26 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1r31 h VAL 287 CO -0.01 0.46 0.04 -0.33 0.02 0.00 0.00 177.57 177.76 1r31 h GLU 288 N 0.87 0.58 -0.43 1.57 4.39 -1.21 -2.00 114.58 118.34 1r31 h GLU 288 Ca 0.12 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1r31 h GLU 288 Cb 0.74 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 1r31 h GLU 288 CO 0.06 0.67 0.17 0.00 -1.16 0.00 0.00 179.01 178.75 1r31 h ALA 289 N 0.89 0.56 -0.47 3.43 0.00 -1.22 -1.94 119.26 120.50 1r31 h ALA 289 Ca 0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1r31 h ALA 289 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1r31 h ALA 289 CO 0.01 0.17 0.07 0.78 0.00 0.00 0.00 179.25 180.28 1r31 h GLY 290 N 0.55 0.79 0.63 0.00 0.00 -1.42 -1.93 103.07 101.70 1r31 h GLY 290 Ca 0.14 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1r31 h GLY 290 CO -0.01 0.44 -0.16 0.00 0.00 0.00 0.00 176.54 176.81 1r31 h ALA 291 N 1.37 -0.44 -0.40 3.60 0.00 -1.09 -2.50 119.26 119.82 1r31 h ALA 291 Ca 0.15 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1r31 h ALA 291 Cb 0.33 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1r31 h ALA 291 CO 0.01 -0.56 -0.26 0.45 0.00 0.00 0.00 179.25 178.89 1r31 h HIS 292 N -0.81 0.95 -0.63 0.00 3.86 -1.39 -1.92 115.15 115.20 1r31 h HIS 292 Ca -0.04 -0.23 -0.06 0.00 -1.16 0.00 0.00 60.37 58.87 1r31 h HIS 292 Cb 0.52 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 1r31 h HIS 292 CO 0.03 0.99 0.14 0.00 0.86 0.00 0.00 177.93 179.95 1r31 h ALA 293 N 1.00 1.06 -0.52 2.45 0.00 -1.45 -2.46 119.26 119.35 1r31 h ALA 293 Ca 0.09 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1r31 h ALA 293 Cb 0.79 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1r31 h ALA 293 CO 0.07 0.62 0.02 -0.92 0.00 0.00 0.00 179.25 179.03 1r31 h TYR 294 N 0.95 0.91 -0.01 0.00 3.20 -1.29 -2.67 116.97 118.05 1r31 h TYR 294 Ca 0.20 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1r31 h TYR 294 Cb 0.35 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1r31 h TYR 294 CO 0.02 0.82 0.08 0.00 -1.64 0.00 0.00 178.16 177.45 1r31 h ALA 295 N 1.22 1.16 -0.07 1.82 0.00 -0.85 -2.35 119.26 120.18 1r31 h ALA 295 Ca 0.16 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1r31 h ALA 295 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1r31 h ALA 295 CO 0.02 -0.09 -0.21 0.00 0.00 0.00 0.00 179.25 178.97 1r31 h ARG 297 N 0.68 0.00 0.00 0.00 0.11 -1.42 -2.38 114.38 111.37 1r31 h ARG 297 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 1r31 h ARG 297 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1r31 h ARG 297 CO 0.07 0.11 -0.03 -1.13 0.10 0.00 0.00 179.97 179.09 1r31 n SER 298 N -3.77 0.33 0.00 0.08 3.41 -1.26 -4.89 113.62 107.52 1r31 n SER 298 Ca -0.02 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1r31 n SER 298 Cb 0.22 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1r31 n SER 298 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r31 n GLY 299 N 1.43 0.98 3.04 5.00 0.00 -0.90 -5.08 105.19 109.65 1r31 n GLY 299 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1r31 n GLY 299 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1r31 s HIS 300 N -2.00 -0.39 -0.39 1.61 5.65 -1.26 -5.11 115.29 113.40 1r31 s HIS 300 Ca 0.00 0.90 -0.28 0.00 0.25 0.00 0.00 55.06 55.93 1r31 s HIS 300 Cb 0.00 0.01 -0.01 0.00 -1.18 0.00 0.00 32.58 31.40 1r31 s HIS 300 CO 0.00 -0.30 1.72 -0.47 -0.65 0.00 0.00 174.74 175.04 1r31 s TYR 301 N 1.86 1.92 0.00 3.88 5.04 -1.26 -4.38 117.35 124.41 1r31 s TYR 301 Ca -0.04 0.65 0.00 0.00 -2.44 0.00 0.00 57.07 55.25 1r31 s TYR 301 Cb -0.11 -4.17 0.00 0.00 0.35 0.00 0.00 41.96 38.03 1r31 s TYR 301 CO -0.09 -2.63 0.00 0.41 -1.34 0.00 0.00 175.55 171.90 1r31 n GLY 302 N 5.39 6.72 3.73 8.97 0.00 -0.75 -4.36 105.19 124.88 1r31 n GLY 302 Ca 0.21 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 1r31 n GLY 302 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r31 s SER 303 N 0.55 7.29 0.27 1.61 0.15 -1.26 -4.84 113.70 117.47 1r31 s SER 303 Ca 0.00 1.55 0.10 0.00 0.70 0.00 0.00 55.95 58.31 1r31 s SER 303 Cb 0.00 -2.51 0.34 0.00 -1.71 0.00 0.00 66.02 62.13 1r31 s SER 303 CO 0.00 -0.08 1.60 -0.07 1.20 0.00 0.00 173.24 175.89 1r31 h LEU 304 N 6.00 0.00-10.45 3.45 3.38 -1.92 -3.45 115.31 112.32 1r31 h LEU 304 Ca -0.43 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.12 1r31 h LEU 304 Cb 1.21 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.98 1r31 h LEU 304 CO 0.72 0.63 -0.21 0.42 0.09 0.00 0.00 178.44 180.09 1r31 s THR 305 N -3.58 2.96 0.02 0.22 -4.23 -1.26 -4.09 115.64 105.69 1r31 s THR 305 Ca -0.01 -0.92 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 1r31 s THR 305 Cb 0.13 -3.01 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 1r31 s THR 305 CO 0.76 -0.01 -0.07 0.42 -0.54 0.00 0.00 174.62 175.19 1r31 s THR 306 N -2.44 0.47 -0.05 3.99 -4.23 -0.97 -4.98 115.64 107.42 1r31 s THR 306 Ca 0.55 -0.73 0.01 0.00 -1.18 0.00 0.00 61.69 60.34 1r31 s THR 306 Cb -0.10 -0.49 0.02 0.00 1.34 0.00 0.00 72.50 73.27 1r31 s THR 306 CO 0.34 -0.19 -0.06 0.26 -0.54 0.00 0.00 174.62 174.43 1r31 s TRP 307 N -0.88 0.87 0.29 3.99 0.52 -1.26 -2.03 118.94 120.43 1r31 s TRP 307 Ca -0.05 -0.26 0.02 0.00 0.02 0.00 0.00 56.10 55.82 1r31 s TRP 307 Cb -0.07 -0.74 -0.02 0.00 -1.15 0.00 0.00 33.47 31.49 1r31 s TRP 307 CO 0.00 -0.21 0.29 -1.21 0.02 0.00 0.00 176.95 175.84 1r31 s GLU 308 N 0.91 1.63 -0.13 4.98 2.02 -0.24 -4.95 118.70 122.93 1r31 s GLU 308 Ca -0.11 -1.82 0.02 0.00 0.02 0.00 0.00 54.97 53.08 1r31 s GLU 308 Cb -0.14 0.34 0.01 0.00 0.10 0.00 0.00 34.13 34.44 1r31 s GLU 308 CO 0.00 -0.61 -0.19 0.21 0.02 0.00 0.00 175.26 174.69 1r31 s LYS 309 N -3.58 2.73 0.94 1.61 2.20 -1.26 -0.59 119.74 121.79 1r31 s LYS 309 Ca 0.37 -0.75 -0.13 0.00 -0.36 0.00 0.00 55.97 55.10 1r31 s LYS 309 Cb 0.03 -2.25 0.21 0.00 -1.51 0.00 0.00 37.83 34.30 1r31 s LYS 309 CO 0.21 -0.05 1.29 0.16 -0.36 0.00 0.00 175.35 176.60 1r31 s ASP 310 N 0.93 3.13 0.58 1.43 1.47 -0.26 -4.85 116.67 119.09 1r31 s ASP 310 Ca -0.06 0.05 0.31 0.00 1.18 0.00 0.00 52.55 54.03 1r31 s ASP 310 Cb -0.15 -0.07 1.71 0.00 -0.34 0.00 0.00 42.92 44.07 1r31 s ASP 310 CO -0.03 -2.70 1.95 0.78 0.68 0.00 0.00 175.17 175.85 1r31 h ASN 311 N -1.52 0.00 -0.02 2.11 2.35 -2.01 0.23 115.58 116.72 1r31 h ASN 311 Ca -0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1r31 h ASN 311 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.60 1r31 h ASN 311 CO 0.34 0.00 -0.01 0.59 -1.65 0.00 0.00 177.43 176.70 1r31 n ASN 312 N -2.76 2.37 0.00 5.81 4.13 -1.26 -4.93 115.26 118.61 1r31 n ASN 312 Ca -0.02 -1.78 0.00 0.00 1.68 0.00 0.00 54.58 54.46 1r31 n ASN 312 Cb 0.23 0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.48 1r31 n ASN 312 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1r31 n GLY 313 N 1.28 0.70 3.79 7.41 0.00 0.80 -5.04 105.19 114.14 1r31 n GLY 313 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1r31 n GLY 313 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1r31 s HIS 314 N -2.45 3.74 -0.13 1.61 3.76 -1.26 -4.66 115.29 115.91 1r31 s HIS 314 Ca 0.00 1.57 -0.29 0.00 -0.15 0.00 0.00 55.06 56.19 1r31 s HIS 314 Cb 0.00 -2.75 -0.01 0.00 1.11 0.00 0.00 32.58 30.93 1r31 s HIS 314 CO 0.00 0.36 1.12 -1.17 -0.85 0.00 0.00 174.74 174.20 1r31 s LEU 315 N -1.74 4.22 -0.07 0.89 2.96 0.55 -1.11 118.68 124.39 1r31 s LEU 315 Ca 0.43 1.62 0.04 0.00 -0.22 0.00 0.00 54.13 56.00 1r31 s LEU 315 Cb -0.19 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 42.95 1r31 s LEU 315 CO 0.23 -0.59 -0.20 0.68 -1.32 0.00 0.00 176.35 175.15 1r31 s VAL 316 N 2.59 1.69 0.17 1.68 -7.23 0.24 -0.79 120.40 118.74 1r31 s VAL 316 Ca 0.51 -0.83 0.07 0.00 -1.81 0.00 0.00 61.98 59.92 1r31 s VAL 316 Cb -0.20 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 1r31 s VAL 316 CO 0.16 0.48 -0.16 -0.83 -0.31 0.00 0.00 175.10 174.44 1r31 s GLY 317 N 0.21 1.32 0.09 2.32 0.00 -0.80 -1.08 107.32 109.38 1r31 s GLY 317 Ca -0.10 -1.50 -0.01 0.00 0.00 0.00 0.00 44.72 43.11 1r31 s GLY 317 CO 0.05 -1.57 0.00 -0.51 0.00 0.00 0.00 173.10 171.07 1r31 s THR 318 N -2.44 0.20 -0.22 0.90 -4.23 -0.86 -1.93 115.64 107.06 1r31 s THR 318 Ca 0.16 -1.86 -0.05 0.00 -1.18 0.00 0.00 61.69 58.77 1r31 s THR 318 Cb -0.03 -1.75 0.11 0.00 1.34 0.00 0.00 72.50 72.17 1r31 s THR 318 CO 0.06 -0.77 0.41 -0.22 -0.54 0.00 0.00 174.62 173.56 1r31 s LEU 319 N -2.98 -0.68 -0.07 4.79 2.96 -0.74 -2.30 118.68 119.65 1r31 s LEU 319 Ca 0.15 0.67 0.03 0.00 -0.22 0.00 0.00 54.13 54.75 1r31 s LEU 319 Cb 0.08 1.29 0.01 0.00 0.50 0.00 0.00 46.19 48.07 1r31 s LEU 319 CO -0.05 -0.26 -0.15 -0.70 -1.32 0.00 0.00 176.35 173.87 1r31 s GLU 320 N 2.60 2.00 0.05 1.98 2.12 -1.26 -1.52 118.70 124.67 1r31 s GLU 320 Ca 0.05 -0.51 -0.27 0.00 0.36 0.00 0.00 54.97 54.60 1r31 s GLU 320 Cb -0.14 -1.60 0.09 0.00 0.26 0.00 0.00 34.13 32.74 1r31 s GLU 320 CO -0.14 0.06 0.90 0.00 -0.54 0.00 0.00 175.26 175.53 1r31 s MET 321 N 0.60 0.95 0.47 4.30 0.23 -0.99 -4.91 119.30 119.95 1r31 s MET 321 Ca -0.15 -0.42 -0.23 0.00 -1.03 0.00 0.00 55.69 53.86 1r31 s MET 321 Cb -0.16 0.40 -0.07 0.00 -1.53 0.00 0.00 34.83 33.46 1r31 s MET 321 CO 0.05 -0.43 1.22 -2.14 -2.03 0.00 0.00 175.02 171.70 1r31 s PRO 322 N -3.20 3.66 -0.43 3.16 0.02 -1.26 -1.68 135.00 135.26 1r31 s PRO 322 Ca 0.07 1.93 0.05 0.00 0.02 0.00 0.00 61.00 63.06 1r31 s PRO 322 Cb -0.01 -2.43 0.17 0.00 0.02 0.00 0.00 34.50 32.25 1r31 s PRO 322 CO -0.06 -0.68 0.44 1.41 -0.33 0.00 0.00 177.00 177.79 1r31 s MET 323 N -2.67 0.92 -0.28 5.54 1.75 -0.49 -4.69 119.30 119.38 1r31 s MET 323 Ca 0.64 -1.75 -0.25 0.00 -1.25 0.00 0.00 55.69 53.08 1r31 s MET 323 Cb -0.32 -1.02 -0.00 0.00 2.84 0.00 0.00 34.83 36.33 1r31 s MET 323 CO 0.39 -1.36 0.84 -2.14 -0.65 0.00 0.00 175.02 172.11 1r31 s PRO 324 N 0.37 4.08 0.16 4.11 0.02 -1.26 -4.87 135.00 137.61 1r31 s PRO 324 Ca 0.31 0.82 -0.11 0.00 0.02 0.00 0.00 61.00 62.04 1r31 s PRO 324 Cb 0.01 -3.69 -0.00 0.00 0.02 0.00 0.00 34.50 30.84 1r31 s PRO 324 CO -0.15 -0.62 0.32 0.14 -0.33 0.00 0.00 177.00 176.36 1r31 s VAL 325 N 2.98 0.07 0.14 3.83 -7.23 -1.26 -4.78 120.40 114.14 1r31 s VAL 325 Ca 0.35 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 1r31 s VAL 325 Cb -0.14 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 1r31 s VAL 325 CO 0.10 -0.30 0.03 -0.83 -0.31 0.00 0.00 175.10 173.79 1r31 s GLY 326 N -2.94 1.04 -0.01 2.32 0.00 -1.26 -3.68 107.32 102.80 1r31 s GLY 326 Ca 0.14 -1.50 0.14 0.00 0.00 0.00 0.00 44.72 43.51 1r31 s GLY 326 CO -0.02 -1.43 0.52 1.04 0.00 0.00 0.00 173.10 173.22 1r31 n LEU 327 N -0.14 0.48 -4.35 0.66 4.77 -0.67 -4.89 117.00 112.87 1r31 n LEU 327 Ca -0.07 -0.36 -0.18 0.00 -0.03 0.00 0.00 56.01 55.37 1r31 n LEU 327 Cb 0.63 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.62 1r31 n LEU 327 CO 0.32 0.12 -0.36 0.54 -1.33 0.00 0.00 177.39 176.67 1r31 s VAL 328 N -2.51 1.30 0.00 4.08 0.11 -1.18 -4.72 120.40 117.48 1r31 s VAL 328 Ca 0.02 -2.08 0.00 0.00 -2.93 0.00 0.00 61.98 56.99 1r31 s VAL 328 Cb 0.10 -2.27 0.00 0.00 -1.53 0.00 0.00 36.38 32.69 1r31 s VAL 328 CO 0.58 -0.41 0.00 0.61 -3.33 0.00 0.00 175.10 172.55 1r31 n GLY 329 N -0.43 0.58 7.00 6.54 0.00 -1.26 -4.49 105.19 113.14 1r31 n GLY 329 Ca -0.06 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1r31 n GLY 329 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r31 n GLY 330 N 1.47 2.48 0.31 -0.02 0.00 -1.26 -2.47 105.19 105.70 1r31 n GLY 330 Ca 0.00 -0.33 0.19 0.00 0.00 0.00 0.00 46.02 45.88 1r31 n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r31 h ALA 331 N -0.68 1.12 -0.04 4.61 0.00 -1.96 -2.61 119.26 119.70 1r31 h ALA 331 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1r31 h ALA 331 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1r31 h ALA 331 CO 0.00 0.03 0.03 1.15 0.00 0.00 0.00 179.25 180.46 1r31 h THR 332 N 0.00 0.82 0.00 0.00 2.02 -1.46 -1.04 112.91 113.25 1r31 h THR 332 Ca -0.00 0.00 -0.38 0.00 0.77 0.00 0.00 66.41 66.80 1r31 h THR 332 Cb 0.16 0.98 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 1r31 h THR 332 CO 0.00 0.00 -2.43 0.29 0.37 0.00 0.00 175.52 173.75 1r31 n LYS 333 N -4.30 0.63 0.15 6.66 4.76 -1.00 -4.09 118.16 120.98 1r31 n LYS 333 Ca -0.02 0.14 0.03 0.00 -2.87 0.00 0.00 58.31 55.59 1r31 n LYS 333 Cb 0.13 -1.50 0.10 0.00 -1.84 0.00 0.00 35.03 31.91 1r31 n LYS 333 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1r31 h THR 334 N 0.00 0.88 -3.39 -0.18 1.35 -1.45 -3.44 112.91 106.68 1r31 h THR 334 Ca -0.56 -2.09 -0.59 0.00 -0.55 0.00 0.00 66.41 62.62 1r31 h THR 334 Cb 1.88 2.32 -0.09 0.00 -1.73 0.00 0.00 68.15 70.53 1r31 h THR 334 CO -0.08 0.47 0.55 -2.28 -0.25 0.00 0.00 175.52 173.93 1r31 s HIS 335 N -3.09 3.18 0.39 4.73 5.65 -0.40 -4.93 115.29 120.82 1r31 s HIS 335 Ca 0.03 0.93 0.14 0.00 0.25 0.00 0.00 55.06 56.41 1r31 s HIS 335 Cb 0.08 -3.39 0.98 0.00 -1.18 0.00 0.00 32.58 29.07 1r31 s HIS 335 CO 0.73 -0.64 1.86 -1.35 -0.65 0.00 0.00 174.74 174.69 1r31 h PRO 336 N 8.12 0.50 0.00 2.88 0.11 -1.85 -0.98 132.00 140.79 1r31 h PRO 336 Ca -0.23 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.74 1r31 h PRO 336 Cb 1.08 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1r31 h PRO 336 CO 0.94 0.33 -0.52 -0.07 -0.21 0.00 0.00 178.00 178.47 1r31 h LEU 337 N 0.52 0.00 -0.50 2.35 3.38 -1.91 -2.13 115.31 117.02 1r31 h LEU 337 Ca 0.47 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.33 1r31 h LEU 337 Cb 1.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1r31 h LEU 337 CO -0.20 0.52 -0.09 0.00 0.09 0.00 0.00 178.44 178.76 1r31 h ALA 338 N 1.48 0.68 -0.58 1.53 0.00 -1.35 -0.69 119.26 120.33 1r31 h ALA 338 Ca -0.01 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1r31 h ALA 338 Cb 1.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1r31 h ALA 338 CO 0.07 0.57 0.12 1.96 0.00 0.00 0.00 179.25 181.96 1r31 h GLN 339 N 0.79 0.95 -0.65 0.00 1.08 -1.37 -2.52 115.11 113.39 1r31 h GLN 339 Ca 0.13 -0.24 -0.06 0.00 -1.45 0.00 0.00 58.65 57.03 1r31 h GLN 339 Cb 0.64 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 1r31 h GLN 339 CO 0.04 0.89 0.19 1.25 -0.95 0.00 0.00 178.83 180.25 1r31 h LEU 340 N 0.85 0.94 -0.18 1.46 5.85 -1.18 -2.19 115.31 120.87 1r31 h LEU 340 Ca 0.18 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1r31 h LEU 340 Cb 0.38 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1r31 h LEU 340 CO 0.01 0.89 0.07 0.28 -0.34 0.00 0.00 178.44 179.34 1r31 h SER 341 N 0.97 0.08 -0.82 1.25 0.02 -0.81 0.51 113.55 114.75 1r31 h SER 341 Ca 0.21 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 1r31 h SER 341 Cb 0.30 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 1r31 h SER 341 CO -0.00 0.07 0.54 -0.07 -1.14 0.00 0.00 176.83 176.23 1r31 h LEU 342 N 0.15 0.89 -0.45 5.07 3.38 -1.26 0.64 115.31 123.74 1r31 h LEU 342 Ca 0.07 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1r31 h LEU 342 Cb 0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1r31 h LEU 342 CO -0.07 0.62 0.16 -0.09 0.09 0.00 0.00 178.44 179.15 1r31 h ARG 343 N 1.04 0.68 -0.71 1.13 2.43 -0.73 0.74 114.38 118.97 1r31 h ARG 343 Ca 0.32 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1r31 h ARG 343 Cb -0.01 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1r31 h ARG 343 CO -0.09 0.64 0.25 0.82 -1.51 0.00 0.00 179.97 180.08 1r31 h ILE 344 N 0.59 1.26 -0.28 1.20 2.04 0.12 -2.99 117.51 119.43 1r31 h ILE 344 Ca 0.15 -0.85 -0.14 0.00 1.00 0.00 0.00 64.86 65.01 1r31 h ILE 344 Cb 0.23 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1r31 h ILE 344 CO -0.01 0.34 -0.41 -0.07 0.00 0.00 0.00 178.15 177.99 1r31 h LEU 345 N 1.04 0.73 0.00 1.44 3.38 -0.63 -3.40 115.31 117.86 1r31 h LEU 345 Ca 0.23 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1r31 h LEU 345 Cb 0.27 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1r31 h LEU 345 CO -0.01 1.05 0.00 0.61 0.09 0.00 0.00 178.44 180.18 1r31 n GLY 346 N 0.06 0.51 3.76 0.83 0.00 0.23 -4.78 105.19 105.80 1r31 n GLY 346 Ca -0.02 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 1r31 n GLY 346 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r31 s VAL 347 N -2.00 3.02 -0.38 1.61 -7.23 -1.24 -4.95 120.40 109.24 1r31 s VAL 347 Ca 0.00 1.00 0.13 0.00 -1.81 0.00 0.00 61.98 61.30 1r31 s VAL 347 Cb 0.00 -3.63 -0.17 0.00 0.56 0.00 0.00 36.38 33.14 1r31 s VAL 347 CO 0.00 0.22 0.45 0.29 -0.31 0.00 0.00 175.10 175.76 1r31 n LYS 348 N 1.23 1.75 -4.10 4.82 4.76 -1.26 -4.98 118.16 120.38 1r31 n LYS 348 Ca 0.01 -0.05 -0.09 0.00 -2.87 0.00 0.00 58.31 55.31 1r31 n LYS 348 Cb 0.43 -1.20 -0.10 0.00 -1.84 0.00 0.00 35.03 32.31 1r31 n LYS 348 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1r31 s THR 349 N -2.52 0.39 0.24 -0.18 -4.23 -1.26 -5.05 115.64 103.03 1r31 s THR 349 Ca 0.01 -1.72 -0.05 0.00 -1.18 0.00 0.00 61.69 58.74 1r31 s THR 349 Cb 0.09 -1.40 0.17 0.00 1.34 0.00 0.00 72.50 72.71 1r31 s THR 349 CO 0.55 -0.87 1.82 0.00 -0.54 0.00 0.00 174.62 175.58 1r31 h ALA 350 N 3.31 1.14 0.00 3.99 0.00 -1.85 -2.30 119.26 123.56 1r31 h ALA 350 Ca -0.34 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 1r31 h ALA 350 Cb 1.16 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1r31 h ALA 350 CO 0.62 0.62 -0.17 1.96 0.00 0.00 0.00 179.25 182.28 1r31 h GLN 351 N 1.08 0.00 -0.26 0.00 1.08 -1.89 -0.81 115.11 114.31 1r31 h GLN 351 Ca 0.25 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.33 1r31 h GLN 351 Cb 0.18 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1r31 h GLN 351 CO -0.02 0.17 -0.36 0.00 -0.95 0.00 0.00 178.83 177.66 1r31 h ALA 352 N 1.83 0.89 -0.31 3.87 0.00 -1.83 -1.09 119.26 122.62 1r31 h ALA 352 Ca -0.00 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 1r31 h ALA 352 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1r31 h ALA 352 CO 0.02 0.63 -0.44 1.25 0.00 0.00 0.00 179.25 180.72 1r31 h LEU 353 N 0.48 0.85 -0.83 0.00 5.85 -1.20 -2.68 115.31 117.78 1r31 h LEU 353 Ca 0.05 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 1r31 h LEU 353 Cb 0.85 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1r31 h LEU 353 CO 0.07 1.16 0.38 0.00 -0.34 0.00 0.00 178.44 179.72 1r31 h ALA 354 N 0.87 1.07 -0.44 1.25 0.00 -0.88 -1.25 119.26 119.88 1r31 h ALA 354 Ca 0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1r31 h ALA 354 Cb 1.01 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1r31 h ALA 354 CO 0.10 0.65 -0.10 0.93 0.00 0.00 0.00 179.25 180.83 1r31 h GLU 355 N 1.19 0.78 -0.53 0.00 5.08 -1.12 -2.56 114.58 117.41 1r31 h GLU 355 Ca 0.28 -0.25 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 1r31 h GLU 355 Cb 0.14 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1r31 h GLU 355 CO -0.03 0.85 -0.09 0.82 -1.00 0.00 0.00 179.01 179.55 1r31 h ILE 356 N 0.70 1.27 -0.32 3.13 2.04 -1.11 -2.62 117.51 120.60 1r31 h ILE 356 Ca 0.12 -1.24 0.04 0.00 1.00 0.00 0.00 64.86 64.78 1r31 h ILE 356 Cb 0.58 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 1r31 h ILE 356 CO 0.04 0.44 0.10 0.00 0.00 0.00 0.00 178.15 178.72 1r31 h ALA 357 N 0.99 0.36 0.00 1.87 0.00 -0.86 -1.82 119.26 119.80 1r31 h ALA 357 Ca 0.14 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1r31 h ALA 357 Cb 0.65 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1r31 h ALA 357 CO 0.04 -0.30 -0.39 -0.39 0.00 0.00 0.00 179.25 178.21 1r31 h VAL 358 N 0.23 1.01 -0.66 0.00 -1.51 -1.43 -0.89 116.25 113.01 1r31 h VAL 358 Ca 0.14 -1.50 -0.07 0.00 -1.23 0.00 0.00 66.70 64.04 1r31 h VAL 358 Cb 0.12 1.88 -0.03 0.00 -2.13 0.00 0.00 31.29 31.13 1r31 h VAL 358 CO -0.15 0.39 0.12 0.00 -1.23 0.00 0.00 177.57 176.70 1r31 h ALA 359 N 1.61 0.88 -0.38 5.19 0.00 -1.04 -0.73 119.26 124.79 1r31 h ALA 359 Ca -0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 1r31 h ALA 359 Cb 0.84 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1r31 h ALA 359 CO 0.05 0.63 -0.38 0.28 0.00 0.00 0.00 179.25 179.83 1r31 h VAL 360 N 1.01 1.27 -0.69 0.00 2.07 -0.95 -1.97 116.25 117.00 1r31 h VAL 360 Ca 0.20 -1.56 -0.06 0.00 0.82 0.00 0.00 66.70 66.11 1r31 h VAL 360 Cb 0.42 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1r31 h VAL 360 CO 0.01 0.52 0.21 1.23 0.02 0.00 0.00 177.57 179.56 1r31 h GLY 361 N 0.80 1.16 0.99 2.17 0.00 -0.96 -1.35 103.07 105.88 1r31 h GLY 361 Ca 0.06 -0.69 -0.05 0.00 0.00 0.00 0.00 47.33 46.65 1r31 h GLY 361 CO 0.09 0.65 0.15 -2.00 0.00 0.00 0.00 176.54 175.43 1r31 h LEU 362 N 1.01 0.80 -0.77 3.11 5.85 -1.03 -1.70 115.31 122.58 1r31 h LEU 362 Ca 0.22 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1r31 h LEU 362 Cb 0.31 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1r31 h LEU 362 CO -0.01 0.81 0.22 0.00 -0.34 0.00 0.00 178.44 179.12 1r31 h ALA 363 N 1.02 1.00 -0.20 1.25 0.00 -1.17 -1.81 119.26 119.36 1r31 h ALA 363 Ca 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1r31 h ALA 363 Cb 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1r31 h ALA 363 CO -0.00 0.67 0.05 0.37 0.00 0.00 0.00 179.25 180.33 1r31 h GLN 364 N 1.10 0.32 -0.32 0.00 5.75 -1.01 -1.13 115.11 119.83 1r31 h GLN 364 Ca 0.24 -0.08 0.04 0.00 -0.15 0.00 0.00 58.65 58.70 1r31 h GLN 364 Cb 0.32 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 1r31 h GLN 364 CO -0.01 0.45 0.07 -0.97 -2.65 0.00 0.00 178.83 175.72 1r31 h ASN 365 N 0.14 0.03 -0.44 -0.69 -0.00 -1.17 -1.71 115.58 111.75 1r31 h ASN 365 Ca 0.06 0.05 0.04 0.00 -0.00 0.00 0.00 56.30 56.45 1r31 h ASN 365 Cb 0.27 0.06 -0.04 0.00 -0.00 0.00 0.00 38.32 38.61 1r31 h ASN 365 CO 0.00 0.05 0.21 0.25 -0.00 0.00 0.00 177.43 177.94 1r31 h LEU 366 N 0.19 0.29 -0.67 0.34 5.85 -1.17 -2.02 115.31 118.12 1r31 h LEU 366 Ca 0.15 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.92 1r31 h LEU 366 Cb 0.16 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1r31 h LEU 366 CO -0.19 0.21 0.43 1.23 -0.34 0.00 0.00 178.44 179.77 1r31 h GLY 367 N 0.42 0.96 0.96 3.75 0.00 -0.64 -0.89 103.07 107.63 1r31 h GLY 367 Ca 0.19 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1r31 h GLY 367 CO -0.15 0.29 0.18 0.00 0.00 0.00 0.00 176.54 176.86 1r31 h ALA 368 N 1.28 0.61 -0.36 3.60 0.00 -0.92 -2.68 119.26 120.79 1r31 h ALA 368 Ca 0.26 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1r31 h ALA 368 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1r31 h ALA 368 CO -0.09 0.23 -0.37 0.52 0.00 0.00 0.00 179.25 179.54 1r31 h MET 369 N 0.62 0.85 -0.79 0.00 2.07 -1.17 -1.54 114.93 114.97 1r31 h MET 369 Ca 0.16 -0.43 0.03 0.00 -2.07 0.00 0.00 59.70 57.38 1r31 h MET 369 Cb 0.21 0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 29.90 1r31 h MET 369 CO -0.01 1.07 0.51 -0.09 1.07 0.00 0.00 176.91 179.46 1r31 h ARG 370 N 0.70 0.96 -0.05 1.72 2.43 -1.09 -0.12 114.38 118.93 1r31 h ARG 370 Ca 0.06 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1r31 h ARG 370 Cb 0.94 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1r31 h ARG 370 CO 0.09 0.63 -0.03 0.00 -1.51 0.00 0.00 179.97 179.15 1r31 h ALA 371 N 1.33 0.07 -0.90 2.80 0.00 -1.38 -2.89 119.26 118.30 1r31 h ALA 371 Ca 0.32 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1r31 h ALA 371 Cb 0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1r31 h ALA 371 CO -0.11 -0.17 0.60 -0.07 0.00 0.00 0.00 179.25 179.50 1r31 h LEU 372 N -0.31 1.03 -0.07 0.00 3.38 -1.04 -0.43 115.31 117.88 1r31 h LEU 372 Ca 0.01 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1r31 h LEU 372 Cb 0.50 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1r31 h LEU 372 CO 0.01 0.75 -0.00 0.00 0.09 0.00 0.00 178.44 179.28 1r31 h ALA 373 N 1.44 1.00 -3.00 1.53 0.00 -1.07 -3.39 119.26 115.77 1r31 h ALA 373 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1r31 h ALA 373 Cb -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1r31 h ALA 373 CO -0.07 0.00 0.00 -2.37 0.00 0.00 0.00 179.25 176.81 1r31 n THR 374 N -3.10 0.00 0.81 0.00 5.66 -1.02 -4.91 114.28 111.72 1r31 n THR 374 Ca 0.04 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.12 1r31 n THR 374 Cb 0.52 -0.13 -0.06 0.00 -1.55 0.00 0.00 70.33 69.11 1r31 n THR 374 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1r31 n GLU 375 N 0.00 1.38 0.00 1.09 1.02 -1.11 -5.04 120.64 117.98 1r31 n GLU 375 Ca 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 57.16 56.83 1r31 n GLU 375 Cb 0.00 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1r31 n GLU 375 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1r31 n GLY 376 N 1.35 4.40 0.17 0.62 0.00 -0.20 -4.93 105.19 106.59 1r31 n GLY 376 Ca 0.05 -1.42 0.05 0.00 0.00 0.00 0.00 46.02 44.70 1r31 n GLY 376 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1r31 h ILE 377 N 2.66 0.78 -0.01 -0.61 6.09 -1.85 -3.40 117.51 121.18 1r31 h ILE 377 Ca 0.00 -1.80 0.00 0.00 -1.37 0.00 0.00 64.86 61.69 1r31 h ILE 377 Cb 0.00 2.17 0.00 0.00 0.47 0.00 0.00 36.82 39.46 1r31 h ILE 377 CO 0.00 0.40 0.00 0.00 -3.07 0.00 0.00 178.15 175.48