#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ud2 n GLY 2 N 0.00 0.74 3.72 0.44 0.00 -1.26 -5.00 105.19 103.82 1ud2 n GLY 2 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ud2 n GLY 2 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ud2 n LEU 3 N 0.00 3.84 -4.76 0.99 7.94 -1.26 -4.92 117.00 118.83 1ud2 n LEU 3 Ca 0.00 1.20 -0.39 0.00 -1.11 0.00 0.00 56.01 55.71 1ud2 n LEU 3 Cb 0.00 -1.52 0.02 0.00 0.53 0.00 0.00 43.42 42.45 1ud2 n LEU 3 CO 0.00 -0.29 0.99 0.20 -1.11 0.00 0.00 177.39 177.18 1ud2 s ASN 4 N -0.12 5.73 0.11 1.96 0.01 -1.26 -4.98 114.94 116.38 1ud2 s ASN 4 Ca 0.57 2.74 -0.16 0.00 -0.71 0.00 0.00 52.86 55.30 1ud2 s ASN 4 Cb -0.55 -2.64 -0.07 0.00 0.41 0.00 0.00 41.25 38.40 1ud2 s ASN 4 CO 0.60 -1.26 0.55 -0.83 -1.51 0.00 0.00 177.10 174.66 1ud2 s GLY 5 N -0.83 2.55 -0.06 0.66 0.00 -1.26 -4.89 107.32 103.48 1ud2 s GLY 5 Ca 0.65 -0.06 -0.03 0.00 0.00 0.00 0.00 44.72 45.28 1ud2 s GLY 5 CO 0.49 0.28 0.10 -1.59 0.00 0.00 0.00 173.10 172.38 1ud2 s THR 6 N -1.31 -0.18 0.30 0.90 2.01 -1.26 -4.48 115.64 111.63 1ud2 s THR 6 Ca 0.34 0.38 -0.05 0.00 0.31 0.00 0.00 61.69 62.67 1ud2 s THR 6 Cb -0.17 -0.23 -0.05 0.00 0.01 0.00 0.00 72.50 72.07 1ud2 s THR 6 CO 0.19 0.15 0.56 -0.32 -0.69 0.00 0.00 174.62 174.51 1ud2 s MET 7 N 2.22 3.62 -0.05 4.92 1.75 -0.21 -0.79 119.30 130.77 1ud2 s MET 7 Ca 0.04 -0.01 -0.02 0.00 -1.25 0.00 0.00 55.69 54.46 1ud2 s MET 7 Cb -0.12 -2.63 0.03 0.00 2.84 0.00 0.00 34.83 34.95 1ud2 s MET 7 CO -0.04 0.19 0.08 1.41 -0.65 0.00 0.00 175.02 176.01 1ud2 s MET 8 N -3.65 -0.02 -0.49 4.11 1.75 -0.38 0.26 119.30 120.88 1ud2 s MET 8 Ca 0.44 0.36 -0.29 0.00 -1.25 0.00 0.00 55.69 54.95 1ud2 s MET 8 Cb -0.11 -0.34 0.02 0.00 2.84 0.00 0.00 34.83 37.25 1ud2 s MET 8 CO 0.31 -0.26 1.22 -1.14 -0.65 0.00 0.00 175.02 174.51 1ud2 s GLN 9 N 1.73 3.62 -1.39 4.11 0.74 0.14 -1.53 119.66 127.09 1ud2 s GLN 9 Ca -0.01 0.57 -0.07 0.00 0.05 0.00 0.00 55.36 55.89 1ud2 s GLN 9 Cb -0.12 -3.97 0.08 0.00 1.10 0.00 0.00 33.01 30.09 1ud2 s GLN 9 CO -0.04 -1.52 2.46 0.98 -0.55 0.00 0.00 175.29 176.62 1ud2 n TYR 10 N 8.29 2.62 0.00 1.67 9.36 -0.87 -1.56 117.16 136.66 1ud2 n TYR 10 Ca 0.12 -2.89 0.00 0.00 3.32 0.00 0.00 57.90 58.46 1ud2 n TYR 10 Cb 0.49 -2.02 0.00 0.00 -0.63 0.00 0.00 39.34 37.18 1ud2 n TYR 10 CO 0.00 0.00 0.00 2.48 0.22 0.00 0.00 176.86 179.56 1ud2 n TYR 11 N 2.47 0.00 -4.11 2.98 0.18 -1.26 -4.75 117.16 112.67 1ud2 n TYR 11 Ca 0.64 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 60.33 1ud2 n TYR 11 Cb 0.26 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.12 1ud2 n TYR 11 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 1ud2 s GLU 12 N -2.00 0.75 0.23 -3.48 4.04 -1.26 -4.24 118.70 112.73 1ud2 s GLU 12 Ca 0.00 -1.31 -0.07 0.00 0.04 0.00 0.00 54.97 53.63 1ud2 s GLU 12 Cb 0.00 0.23 0.29 0.00 0.02 0.00 0.00 34.13 34.67 1ud2 s GLU 12 CO 0.00 -0.18 1.83 2.35 -1.84 0.00 0.00 175.26 177.42 1ud2 h TRP 13 N 3.02 0.83 -0.42 4.83 2.91 -1.92 -2.87 115.95 122.33 1ud2 h TRP 13 Ca -0.34 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 59.62 1ud2 h TRP 13 Cb 1.17 -0.26 -0.05 0.00 -0.51 0.00 0.00 29.16 29.50 1ud2 h TRP 13 CO 0.49 0.41 0.11 0.72 -1.03 0.00 0.00 178.44 179.13 1ud2 n HIS 14 N -4.71 1.43 -1.53 2.65 8.25 -1.26 -4.95 115.22 115.10 1ud2 n HIS 14 Ca 0.10 -0.68 -0.37 0.00 -0.26 0.00 0.00 57.72 56.52 1ud2 n HIS 14 Cb 0.18 -0.44 0.06 0.00 1.12 0.00 0.00 29.99 30.91 1ud2 n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ud2 n LEU 15 N 0.14 3.49 -4.76 2.41 4.77 -1.08 -4.87 117.00 117.09 1ud2 n LEU 15 Ca 0.22 0.75 -0.40 0.00 -0.03 0.00 0.00 56.01 56.54 1ud2 n LEU 15 Cb 0.93 -1.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 1ud2 n LEU 15 CO 0.24 -2.01 0.85 -1.61 -1.33 0.00 0.00 177.39 173.53 1ud2 s GLU 16 N -2.93 4.56 -1.37 3.23 0.41 -1.26 -4.93 118.70 116.40 1ud2 s GLU 16 Ca 0.75 1.92 -0.09 0.00 -0.41 0.00 0.00 54.97 57.14 1ud2 s GLU 16 Cb -0.39 -3.16 0.09 0.00 -1.78 0.00 0.00 34.13 28.89 1ud2 s GLU 16 CO 0.48 0.09 2.28 -1.71 -0.49 0.00 0.00 175.26 175.92 1ud2 n ASN 17 N 1.14 6.63 -0.58 -0.19 5.15 -1.26 -4.46 115.26 121.69 1ud2 n ASN 17 Ca -0.01 -3.00 0.10 0.00 -0.60 0.00 0.00 54.58 51.07 1ud2 n ASN 17 Cb 0.44 -1.47 0.03 0.00 -0.53 0.00 0.00 39.78 38.25 1ud2 n ASN 17 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1ud2 n ASP 18 N 3.29 2.17 -0.74 1.20 5.68 -1.26 -4.98 116.55 121.92 1ud2 n ASP 18 Ca 0.56 -1.59 -0.10 0.00 -0.50 0.00 0.00 54.79 53.17 1ud2 n ASP 18 Cb 0.30 0.29 -0.04 0.00 -1.14 0.00 0.00 41.12 40.53 1ud2 n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ud2 n GLY 19 N 1.23 1.07 0.78 6.12 0.00 -1.09 -4.87 105.19 108.43 1ud2 n GLY 19 Ca 0.09 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 45.89 1ud2 n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ud2 n GLN 20 N -2.01 2.93 -0.12 1.61 1.13 -1.25 -3.91 117.38 115.76 1ud2 n GLN 20 Ca -0.10 -2.30 -0.12 0.00 -1.94 0.00 0.00 57.00 52.55 1ud2 n GLN 20 Cb 0.41 -1.44 -0.02 0.00 0.11 0.00 0.00 30.24 29.29 1ud2 n GLN 20 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1ud2 h HIS 21 N 2.19 0.85 -0.83 1.08 2.76 -1.70 -0.80 115.15 118.70 1ud2 h HIS 21 Ca 0.00 -0.20 -0.02 0.00 -2.20 0.00 0.00 60.37 57.95 1ud2 h HIS 21 Cb 0.94 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 29.66 1ud2 h HIS 21 CO 0.33 0.92 0.43 -1.49 -1.30 0.00 0.00 177.93 176.82 1ud2 h TRP 22 N 0.53 1.16 -0.69 5.26 -0.00 -1.62 0.11 115.95 120.71 1ud2 h TRP 22 Ca 0.09 -0.04 -0.07 0.00 -0.00 0.00 0.00 58.89 58.87 1ud2 h TRP 22 Cb 0.67 -0.37 -0.03 0.00 -0.00 0.00 0.00 29.16 29.44 1ud2 h TRP 22 CO 0.06 0.82 0.17 -0.91 -0.00 0.00 0.00 178.44 178.57 1ud2 h ASN 23 N 1.17 1.04 -0.30 -3.49 2.35 -1.77 -0.36 115.58 114.21 1ud2 h ASN 23 Ca 0.29 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1ud2 h ASN 23 Cb 0.06 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 1ud2 h ASN 23 CO -0.04 1.00 0.17 0.03 -1.65 0.00 0.00 177.43 176.94 1ud2 h ARG 24 N 1.03 0.42 -0.45 0.81 3.08 -0.31 -1.62 114.38 117.33 1ud2 h ARG 24 Ca 0.22 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.28 1ud2 h ARG 24 Cb 0.36 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 1ud2 h ARG 24 CO 0.00 0.35 0.17 1.25 -1.07 0.00 0.00 179.97 180.67 1ud2 h LEU 25 N 0.37 0.19 -0.71 3.04 5.85 -0.45 -0.64 115.31 122.95 1ud2 h LEU 25 Ca 0.11 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.93 1ud2 h LEU 25 Cb 0.05 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 1ud2 h LEU 25 CO -0.02 0.14 0.41 -0.74 -0.34 0.00 0.00 178.44 177.89 1ud2 h HIS 26 N 0.35 0.75 0.00 1.25 2.76 -0.66 -1.97 115.15 117.63 1ud2 h HIS 26 Ca 0.21 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 1ud2 h HIS 26 Cb 0.20 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.93 1ud2 h HIS 26 CO -0.15 0.37 0.00 -0.44 -1.30 0.00 0.00 177.93 176.41 1ud2 h ASP 27 N 0.75 0.00 0.60 3.26 3.32 -0.70 -3.21 116.42 120.44 1ud2 h ASP 27 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1ud2 h ASP 27 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1ud2 h ASP 27 CO -0.18 0.00 -0.72 -0.67 -1.72 0.00 0.00 179.24 175.96 1ud2 n ASP 28 N -3.02 0.62 -0.23 6.45 2.03 -0.30 -4.56 116.55 117.53 1ud2 n ASP 28 Ca 0.03 -0.12 -0.09 0.00 0.52 0.00 0.00 54.79 55.13 1ud2 n ASP 28 Cb 0.44 0.40 -0.07 0.00 -0.72 0.00 0.00 41.12 41.16 1ud2 n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ud2 h ALA 29 N 2.69 -0.50 -0.51 -1.67 0.00 -1.39 0.72 119.26 118.60 1ud2 h ALA 29 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1ud2 h ALA 29 Cb 0.66 1.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 1ud2 h ALA 29 CO 0.00 -0.77 0.25 0.00 0.00 0.00 0.00 179.25 178.74 1ud2 h ALA 30 N -0.08 0.65 -0.76 0.00 0.00 -1.84 -1.36 119.26 115.86 1ud2 h ALA 30 Ca 0.09 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ud2 h ALA 30 Cb 0.35 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1ud2 h ALA 30 CO -0.59 -0.09 0.37 0.00 0.00 0.00 0.00 179.25 178.93 1ud2 h ALA 31 N 1.27 0.98 -0.63 0.00 0.00 -1.71 -0.24 119.26 118.93 1ud2 h ALA 31 Ca 0.22 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1ud2 h ALA 31 Cb 0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1ud2 h ALA 31 CO -0.16 0.53 0.19 -0.07 0.00 0.00 0.00 179.25 179.74 1ud2 h LEU 32 N 1.06 0.94 0.24 0.00 3.38 -0.45 -0.88 115.31 119.60 1ud2 h LEU 32 Ca 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ud2 h LEU 32 Cb 0.11 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1ud2 h LEU 32 CO -0.03 0.90 -0.12 -1.28 0.09 0.00 0.00 178.44 178.00 1ud2 h SER 33 N 0.92 -0.28 -0.89 -0.43 0.87 -0.88 -0.59 113.55 112.27 1ud2 h SER 33 Ca 0.20 -0.13 0.19 0.00 -1.23 0.00 0.00 61.79 60.83 1ud2 h SER 33 Cb 0.31 0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 62.28 1ud2 h SER 33 CO -0.00 -0.03 0.59 -0.78 -0.53 0.00 0.00 176.83 176.07 1ud2 h ASP 34 N -0.53 0.44 1.22 6.23 1.82 -0.93 0.23 116.42 124.91 1ud2 h ASP 34 Ca -0.03 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1ud2 h ASP 34 Cb 0.39 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.36 1ud2 h ASP 34 CO 0.05 0.18 0.00 0.00 -1.61 0.00 0.00 179.24 177.87 1ud2 h ALA 35 N 1.61 1.00 0.00 -0.78 0.00 -0.73 -3.46 119.26 116.90 1ud2 h ALA 35 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1ud2 h ALA 35 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ud2 h ALA 35 CO -0.18 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.48 1ud2 n GLY 36 N 0.37 1.23 3.72 0.00 0.00 0.82 -4.41 105.19 106.91 1ud2 n GLY 36 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1ud2 n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ud2 s ILE 37 N -2.00 4.83 -0.18 -0.61 -1.09 -0.27 -4.37 121.20 117.50 1ud2 s ILE 37 Ca 0.00 1.90 0.04 0.00 -2.23 0.00 0.00 60.65 60.36 1ud2 s ILE 37 Cb 0.00 -4.24 -0.05 0.00 -1.58 0.00 0.00 42.46 36.59 1ud2 s ILE 37 CO 0.00 0.23 0.17 0.35 -1.23 0.00 0.00 174.94 174.46 1ud2 n THR 38 N 3.57 0.00 -3.76 2.92 -2.24 0.03 -4.17 114.28 110.63 1ud2 n THR 38 Ca 0.03 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 1ud2 n THR 38 Cb 0.51 0.96 -0.10 0.00 -2.10 0.00 0.00 70.33 69.59 1ud2 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ud2 s ALA 39 N -1.46 -0.82 -0.09 6.98 0.00 -1.01 -0.37 121.76 124.99 1ud2 s ALA 39 Ca 0.01 0.85 0.04 0.00 0.00 0.00 0.00 51.96 52.86 1ud2 s ALA 39 Cb 0.03 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 1ud2 s ALA 39 CO 0.17 -0.18 -0.23 0.42 0.00 0.00 0.00 175.76 175.94 1ud2 s ILE 40 N -0.06 1.99 -0.38 0.00 -1.09 0.81 -1.25 121.20 121.21 1ud2 s ILE 40 Ca -0.02 -0.99 -0.14 0.00 -2.23 0.00 0.00 60.65 57.28 1ud2 s ILE 40 Cb -0.03 -1.72 0.01 0.00 -1.58 0.00 0.00 42.46 39.14 1ud2 s ILE 40 CO 0.01 0.55 0.26 0.86 -1.23 0.00 0.00 174.94 175.39 1ud2 s TRP 41 N 0.29 3.23 0.24 3.97 -0.00 -0.58 -0.33 118.94 125.76 1ud2 s TRP 41 Ca -0.16 -0.53 -0.08 0.00 -0.00 0.00 0.00 56.10 55.32 1ud2 s TRP 41 Cb -0.17 -2.53 -0.07 0.00 -0.00 0.00 0.00 33.47 30.70 1ud2 s TRP 41 CO 0.08 -0.53 0.54 0.96 -0.00 0.00 0.00 176.95 178.00 1ud2 s ILE 42 N 1.67 4.97 0.96 5.86 -4.36 -0.57 -2.06 121.20 127.67 1ud2 s ILE 42 Ca 0.05 0.35 -0.12 0.00 -0.26 0.00 0.00 60.65 60.67 1ud2 s ILE 42 Cb -0.18 -3.64 0.17 0.00 1.25 0.00 0.00 42.46 40.05 1ud2 s ILE 42 CO 0.10 -0.12 1.09 -2.16 0.24 0.00 0.00 174.94 174.08 1ud2 s PRO 43 N -2.97 0.74 -0.14 0.37 0.04 -1.26 -2.79 135.00 128.99 1ud2 s PRO 43 Ca 0.46 0.73 -0.38 0.00 0.04 0.00 0.00 61.00 61.86 1ud2 s PRO 43 Cb -0.11 -1.76 -0.15 0.00 0.04 0.00 0.00 34.50 32.52 1ud2 s PRO 43 CO 0.23 -2.57 1.67 -2.30 0.04 0.00 0.00 177.00 174.07 1ud2 n PRO 44 N -4.10 1.37 0.00 0.56 -0.02 -1.26 -4.48 135.00 127.07 1ud2 n PRO 44 Ca 0.06 0.50 0.14 0.00 -2.02 0.00 0.00 63.50 62.18 1ud2 n PRO 44 Cb 0.56 -2.21 0.48 0.00 -0.02 0.00 0.00 33.50 32.31 1ud2 n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ud2 n ALA 45 N 4.82 2.58 -2.56 3.55 0.00 -1.26 -4.76 120.51 122.87 1ud2 n ALA 45 Ca 0.23 -0.47 -0.20 0.00 0.00 0.00 0.00 53.44 53.01 1ud2 n ALA 45 Cb 0.18 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 1ud2 n ALA 45 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1ud2 s TYR 46 N -2.01 3.19 -0.03 0.00 -0.85 -1.26 -4.26 117.35 112.13 1ud2 s TYR 46 Ca 0.37 -0.16 -0.33 0.00 -0.52 0.00 0.00 57.07 56.43 1ud2 s TYR 46 Cb 0.21 -1.92 -0.11 0.00 0.38 0.00 0.00 41.96 40.51 1ud2 s TYR 46 CO 0.34 0.06 1.87 1.17 -1.52 0.00 0.00 175.55 177.47 1ud2 n LYS 47 N -1.62 2.37 -1.94 -3.49 3.00 0.17 -4.88 118.16 111.77 1ud2 n LYS 47 Ca -0.02 0.87 -0.09 0.00 -0.00 0.00 0.00 58.31 59.07 1ud2 n LYS 47 Cb 0.58 -2.73 0.03 0.00 0.00 0.00 0.00 35.03 32.91 1ud2 n LYS 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ud2 n GLY 48 N 4.34 1.97 0.49 3.14 0.00 -1.26 -0.95 105.19 112.91 1ud2 n GLY 48 Ca 0.21 -2.18 0.32 0.00 0.00 0.00 0.00 46.02 44.38 1ud2 n GLY 48 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1ud2 h ASN 49 N 0.05 0.21 -5.14 1.61 -0.00 -0.06 -3.41 115.58 108.83 1ud2 h ASN 49 Ca -0.13 0.05 -0.01 0.00 -0.00 0.00 0.00 56.30 56.21 1ud2 h ASN 49 Cb 0.58 0.03 -0.07 0.00 -0.00 0.00 0.00 38.32 38.86 1ud2 h ASN 49 CO 0.18 0.00 0.04 -0.94 -0.00 0.00 0.00 177.43 176.71 1ud2 s SER 50 N -5.01 -0.12 0.28 1.15 1.04 -1.26 -4.86 113.70 104.92 1ud2 s SER 50 Ca -0.07 -0.83 -0.02 0.00 0.48 0.00 0.00 55.95 55.51 1ud2 s SER 50 Cb 0.25 0.66 0.44 0.00 0.10 0.00 0.00 66.02 67.47 1ud2 s SER 50 CO 0.81 -1.26 1.92 -0.61 0.98 0.00 0.00 173.24 175.08 1ud2 h GLN 51 N 2.13 1.11 -0.00 4.02 4.15 -1.84 -2.28 115.11 122.40 1ud2 h GLN 51 Ca -0.24 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.12 1ud2 h GLN 51 Cb 1.25 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.69 1ud2 h GLN 51 CO 0.31 0.73 -0.01 0.00 -1.93 0.00 0.00 178.83 177.93 1ud2 n ALA 52 N -2.39 2.64 -1.74 3.38 0.00 -1.26 -2.11 120.51 119.03 1ud2 n ALA 52 Ca 0.13 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1ud2 n ALA 52 Cb 0.13 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.10 1ud2 n ALA 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ud2 n ASP 53 N -0.98 3.76 0.29 0.00 -0.08 -0.86 -4.85 116.55 113.83 1ud2 n ASP 53 Ca 0.20 1.16 0.17 0.00 -1.51 0.00 0.00 54.79 54.81 1ud2 n ASP 53 Cb 0.17 -1.59 0.82 0.00 2.34 0.00 0.00 41.12 42.87 1ud2 n ASP 53 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1ud2 h VAL 54 N 3.25 0.21 0.00 5.18 2.07 -1.90 -3.41 116.25 121.65 1ud2 h VAL 54 Ca -0.47 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1ud2 h VAL 54 Cb 1.23 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1ud2 h VAL 54 CO 0.76 0.05 0.00 0.61 0.02 0.00 0.00 177.57 179.01 1ud2 n GLY 55 N -0.46 1.35 0.07 2.17 0.00 -1.26 -4.51 105.19 102.54 1ud2 n GLY 55 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1ud2 n GLY 55 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ud2 n TYR 56 N 0.00 0.61 -2.11 1.61 4.01 -1.26 -3.69 117.16 116.33 1ud2 n TYR 56 Ca 0.00 0.18 -0.39 0.00 -0.16 0.00 0.00 57.90 57.53 1ud2 n TYR 56 Cb 0.00 -0.73 -0.00 0.00 -0.31 0.00 0.00 39.34 38.30 1ud2 n TYR 56 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ud2 n GLY 57 N 1.36 5.39 3.68 2.72 0.00 -1.26 -4.92 105.19 112.16 1ud2 n GLY 57 Ca 0.05 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 1ud2 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ud2 s ALA 58 N -2.19 3.71 -0.14 4.61 0.00 -1.24 0.63 121.76 127.14 1ud2 s ALA 58 Ca 0.50 1.39 -0.14 0.00 0.00 0.00 0.00 51.96 53.71 1ud2 s ALA 58 Cb 0.22 -3.78 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 1ud2 s ALA 58 CO -0.13 -1.31 -0.28 0.98 0.00 0.00 0.00 175.76 175.03 1ud2 n TYR 59 N 6.16 0.00 -3.85 0.00 9.36 -0.13 -0.57 117.16 128.14 1ud2 n TYR 59 Ca 0.18 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 61.10 1ud2 n TYR 59 Cb 0.39 -0.39 -0.15 0.00 -0.63 0.00 0.00 39.34 38.55 1ud2 n TYR 59 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1ud2 s ASP 60 N -5.63 3.90 0.33 2.98 2.15 -0.85 -4.79 116.67 114.76 1ud2 s ASP 60 Ca -0.23 -1.42 0.24 0.00 0.43 0.00 0.00 52.55 51.58 1ud2 s ASP 60 Cb 0.03 -1.05 1.18 0.00 -0.30 0.00 0.00 42.92 42.78 1ud2 s ASP 60 CO 0.34 -0.33 1.73 -0.07 -0.17 0.00 0.00 175.17 176.67 1ud2 h LEU 61 N 7.99 0.00 -1.49 -1.34 3.38 -1.93 -1.97 115.31 119.94 1ud2 h LEU 61 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1ud2 h LEU 61 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1ud2 h LEU 61 CO 0.44 0.00 -0.07 -1.22 0.09 0.00 0.00 178.44 177.68 1ud2 n TYR 62 N -2.32 0.00 -3.57 1.13 4.01 -1.26 -4.74 117.16 110.41 1ud2 n TYR 62 Ca -0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 1ud2 n TYR 62 Cb 0.11 -0.01 -0.08 0.00 -0.31 0.00 0.00 39.34 39.06 1ud2 n TYR 62 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ud2 s ASP 63 N -2.08 5.72 -0.43 7.72 -1.08 -0.74 -4.94 116.67 120.84 1ud2 s ASP 63 Ca 0.29 -2.17 -0.01 0.00 -0.52 0.00 0.00 52.55 50.14 1ud2 s ASP 63 Cb 0.20 -2.00 0.29 0.00 -1.46 0.00 0.00 42.92 39.95 1ud2 s ASP 63 CO 0.35 -0.62 2.02 0.18 0.52 0.00 0.00 175.17 177.63 1ud2 n LEU 64 N 4.54 6.86 -0.74 -1.34 4.77 -1.26 0.43 117.00 130.26 1ud2 n LEU 64 Ca -0.02 -3.61 0.00 0.00 -0.03 0.00 0.00 56.01 52.35 1ud2 n LEU 64 Cb 0.41 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 1ud2 n LEU 64 CO 0.40 1.30 0.00 0.61 -1.33 0.00 0.00 177.39 178.37 1ud2 n GLY 65 N -0.04 0.68 0.00 -0.72 0.00 -1.26 -2.47 105.19 101.38 1ud2 n GLY 65 Ca 0.40 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1ud2 n GLY 65 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ud2 n GLU 66 N -0.74 2.63 -4.34 1.61 2.13 -1.22 -1.36 120.64 119.35 1ud2 n GLU 66 Ca 0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 1ud2 n GLU 66 Cb 0.48 -0.89 -0.10 0.00 0.27 0.00 0.00 31.44 31.21 1ud2 n GLU 66 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1ud2 s PHE 67 N -1.71 2.53 -0.74 4.31 0.08 -1.26 -4.99 117.98 116.20 1ud2 s PHE 67 Ca 0.00 -0.26 -0.24 0.00 0.12 0.00 0.00 56.93 56.55 1ud2 s PHE 67 Cb 0.00 -1.21 0.06 0.00 -0.57 0.00 0.00 43.02 41.30 1ud2 s PHE 67 CO 0.00 0.55 1.15 1.21 -0.10 0.00 0.00 175.22 178.02 1ud2 s ASN 68 N -2.98 6.23 0.02 1.36 3.84 -1.26 -4.06 114.94 118.08 1ud2 s ASN 68 Ca 0.25 -0.88 -0.07 0.00 0.21 0.00 0.00 52.86 52.37 1ud2 s ASN 68 Cb -0.08 -2.49 -0.00 0.00 -0.55 0.00 0.00 41.25 38.13 1ud2 s ASN 68 CO 0.15 -1.58 0.13 -1.10 -2.79 0.00 0.00 177.10 171.90 1ud2 s GLN 69 N 4.73 0.52 -1.69 0.43 -0.21 -0.46 -4.37 119.66 118.62 1ud2 s GLN 69 Ca 0.30 -0.52 0.00 0.00 0.02 0.00 0.00 55.36 55.16 1ud2 s GLN 69 Cb -0.11 0.21 0.00 0.00 1.00 0.00 0.00 33.01 34.11 1ud2 s GLN 69 CO 0.09 -0.13 0.00 1.63 -2.12 0.00 0.00 175.29 174.76 1ud2 n LYS 70 N 1.21 -1.76 -0.78 2.91 4.76 -1.26 -2.27 118.16 120.97 1ud2 n LYS 70 Ca -0.22 0.96 0.00 0.00 -2.87 0.00 0.00 58.31 56.18 1ud2 n LYS 70 Cb 0.57 -5.60 0.00 0.00 -1.84 0.00 0.00 35.03 28.15 1ud2 n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ud2 n GLY 71 N -0.96 0.58 3.51 0.72 0.00 -1.26 -4.16 105.19 103.61 1ud2 n GLY 71 Ca -0.23 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 1ud2 n GLY 71 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ud2 s THR 72 N -2.00 0.00 -0.10 2.61 -1.32 -0.96 -4.87 115.64 109.00 1ud2 s THR 72 Ca 0.00 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.42 1ud2 s THR 72 Cb 0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 1ud2 s THR 72 CO 0.00 0.00 -0.11 0.58 -2.21 0.00 0.00 174.62 172.88 1ud2 h VAL 73 N 2.35 0.00 -4.21 5.08 2.07 -1.82 -1.21 116.25 118.51 1ud2 h VAL 73 Ca -0.25 -0.71 -0.50 0.00 0.82 0.00 0.00 66.70 66.06 1ud2 h VAL 73 Cb 1.22 0.00 0.14 0.00 -1.52 0.00 0.00 31.29 31.12 1ud2 h VAL 73 CO 0.34 0.00 0.29 0.00 0.02 0.00 0.00 177.57 178.22 1ud2 s ARG 74 N -1.81 1.81 0.05 1.57 1.70 -1.26 -3.43 118.95 117.58 1ud2 s ARG 74 Ca -0.09 1.03 -0.00 0.00 -0.47 0.00 0.00 55.73 56.20 1ud2 s ARG 74 Cb 0.01 -1.86 0.01 0.00 -0.57 0.00 0.00 34.95 32.55 1ud2 s ARG 74 CO 0.13 -1.92 0.06 0.25 -1.08 0.00 0.00 175.30 172.75 1ud2 n THR 75 N -3.69 0.00 0.12 4.99 -2.24 -0.49 -4.86 114.28 108.12 1ud2 n THR 75 Ca 0.08 -0.08 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1ud2 n THR 75 Cb 0.54 -1.49 0.44 0.00 -2.10 0.00 0.00 70.33 67.72 1ud2 n THR 75 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1ud2 h LYS 76 N 0.00 0.24 0.00 -0.78 3.64 -1.66 -3.02 116.57 114.99 1ud2 h LYS 76 Ca -0.02 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1ud2 h LYS 76 Cb 0.07 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1ud2 h LYS 76 CO 0.02 0.31 -0.68 1.88 -2.27 0.00 0.00 179.45 178.71 1ud2 h TYR 77 N 0.24 0.00 0.00 1.91 0.05 -1.89 -2.88 116.97 114.40 1ud2 h TYR 77 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1ud2 h TYR 77 Cb 0.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.98 1ud2 h TYR 77 CO 0.00 0.17 0.00 0.41 -1.05 0.00 0.00 178.16 177.69 1ud2 n GLY 78 N 1.20 0.75 3.95 3.88 0.00 -1.14 -1.74 105.19 112.09 1ud2 n GLY 78 Ca 0.00 -1.81 -0.23 0.00 0.00 0.00 0.00 46.02 43.98 1ud2 n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ud2 s THR 79 N -2.55 3.44 0.20 2.61 -4.23 -1.26 -1.39 115.64 112.46 1ud2 s THR 79 Ca 0.00 -0.45 -0.11 0.00 -1.18 0.00 0.00 61.69 59.95 1ud2 s THR 79 Cb 0.00 -3.30 0.12 0.00 1.34 0.00 0.00 72.50 70.65 1ud2 s THR 79 CO 0.00 -0.24 1.83 0.50 -0.54 0.00 0.00 174.62 176.18 1ud2 h LYS 80 N 0.15 0.75 -0.56 3.99 3.64 -0.89 -1.96 116.57 121.68 1ud2 h LYS 80 Ca -0.45 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 58.85 1ud2 h LYS 80 Cb 1.27 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 1ud2 h LYS 80 CO 0.56 0.49 0.18 0.00 -2.27 0.00 0.00 179.45 178.42 1ud2 h ALA 81 N 1.28 1.26 -0.08 5.00 0.00 -1.87 -1.30 119.26 123.54 1ud2 h ALA 81 Ca 0.26 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1ud2 h ALA 81 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ud2 h ALA 81 CO -0.11 0.53 -0.57 1.96 0.00 0.00 0.00 179.25 181.06 1ud2 h GLN 82 N 0.82 0.25 -0.15 0.00 4.20 -1.85 -1.17 115.11 117.21 1ud2 h GLN 82 Ca 0.19 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1ud2 h GLN 82 Cb 0.23 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 1ud2 h GLN 82 CO -0.01 0.76 -0.08 1.25 -0.67 0.00 0.00 178.83 180.08 1ud2 h LEU 83 N 0.19 0.33 -0.97 1.46 5.85 -0.96 0.85 115.31 122.06 1ud2 h LEU 83 Ca -0.00 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 1ud2 h LEU 83 Cb 1.07 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 1ud2 h LEU 83 CO 0.09 0.68 0.34 -0.33 -0.34 0.00 0.00 178.44 178.87 1ud2 h GLU 84 N -0.01 1.07 -0.49 1.25 5.08 -1.19 0.16 114.58 120.45 1ud2 h GLU 84 Ca 0.03 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 1ud2 h GLU 84 Cb 0.55 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1ud2 h GLU 84 CO 0.02 0.84 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.75 1ud2 h ARG 85 N 1.06 0.90 -0.37 2.33 2.43 -1.09 -1.15 114.38 118.50 1ud2 h ARG 85 Ca 0.25 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1ud2 h ARG 85 Cb 0.14 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1ud2 h ARG 85 CO -0.03 0.95 0.15 0.00 -1.51 0.00 0.00 179.97 179.53 1ud2 h ALA 86 N 0.92 0.47 -0.84 2.80 0.00 -0.15 -2.10 119.26 120.36 1ud2 h ALA 86 Ca 0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1ud2 h ALA 86 Cb 0.57 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1ud2 h ALA 86 CO 0.03 0.07 0.42 0.82 0.00 0.00 0.00 179.25 180.59 1ud2 h ILE 87 N 0.45 1.25 -0.82 0.00 2.04 -0.55 -0.95 117.51 118.92 1ud2 h ILE 87 Ca 0.12 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1ud2 h ILE 87 Cb 0.18 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1ud2 h ILE 87 CO -0.01 0.30 0.49 1.23 0.00 0.00 0.00 178.15 180.15 1ud2 h GLY 88 N 1.20 1.20 1.02 5.37 0.00 -0.96 -0.64 103.07 110.26 1ud2 h GLY 88 Ca 0.29 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1ud2 h GLY 88 CO -0.04 0.49 0.33 0.23 0.00 0.00 0.00 176.54 177.55 1ud2 h SER 89 N 1.13 0.98 -0.37 0.19 0.87 -0.66 -1.54 113.55 114.16 1ud2 h SER 89 Ca 0.29 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1ud2 h SER 89 Cb -0.03 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 1ud2 h SER 89 CO -0.05 0.86 0.17 -0.07 -0.53 0.00 0.00 176.83 177.21 1ud2 h LEU 90 N 1.04 0.49 -0.30 2.23 3.38 -0.56 -2.44 115.31 119.15 1ud2 h LEU 90 Ca 0.25 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1ud2 h LEU 90 Cb 0.16 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1ud2 h LEU 90 CO -0.03 0.49 0.17 0.11 0.09 0.00 0.00 178.44 179.27 1ud2 h LYS 91 N 0.45 0.34 0.00 1.13 1.79 -0.85 0.02 116.57 119.45 1ud2 h LYS 91 Ca 0.13 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1ud2 h LYS 91 Cb 0.14 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1ud2 h LYS 91 CO -0.01 0.22 0.00 0.66 -1.08 0.00 0.00 179.45 179.24 1ud2 h SER 92 N 0.35 0.00 -0.37 0.86 4.64 -1.16 -1.30 113.55 116.57 1ud2 h SER 92 Ca 0.12 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 1ud2 h SER 92 Cb 0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1ud2 h SER 92 CO -0.06 0.00 0.02 0.59 -0.87 0.00 0.00 176.83 176.51 1ud2 n ASN 93 N -2.55 4.27 -3.61 4.97 3.02 -0.63 -4.97 115.26 115.76 1ud2 n ASN 93 Ca -0.00 -3.07 -0.22 0.00 -0.03 0.00 0.00 54.58 51.25 1ud2 n ASN 93 Cb 0.14 -0.60 0.07 0.00 -0.61 0.00 0.00 39.78 38.78 1ud2 n ASN 93 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ud2 n ASP 94 N -0.29 -3.79 -4.17 6.41 8.00 -0.49 -4.80 116.55 117.42 1ud2 n ASP 94 Ca 0.25 -0.65 -0.32 0.00 0.71 0.00 0.00 54.79 54.77 1ud2 n ASP 94 Cb 1.01 -4.71 -0.17 0.00 -0.02 0.00 0.00 41.12 37.23 1ud2 n ASP 94 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ud2 s ILE 95 N -3.39 2.05 0.55 0.53 1.01 -0.10 -4.79 121.20 117.06 1ud2 s ILE 95 Ca 0.30 -0.98 -0.18 0.00 0.00 0.00 0.00 60.65 59.80 1ud2 s ILE 95 Cb -0.14 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 1ud2 s ILE 95 CO 0.76 0.55 1.07 0.20 0.00 0.00 0.00 174.94 177.52 1ud2 s ASN 96 N 0.80 5.89 -0.16 3.58 0.01 0.50 -3.96 114.94 121.60 1ud2 s ASN 96 Ca -0.08 1.94 0.02 0.00 -0.71 0.00 0.00 52.86 54.03 1ud2 s ASN 96 Cb -0.16 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 38.97 1ud2 s ASN 96 CO -0.01 -1.10 -0.21 -0.69 -1.51 0.00 0.00 177.10 173.58 1ud2 s VAL 97 N -2.15 2.05 -0.18 1.60 1.01 -1.26 -0.13 120.40 121.33 1ud2 s VAL 97 Ca 0.67 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1ud2 s VAL 97 Cb -0.18 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1ud2 s VAL 97 CO 0.30 0.54 -0.05 -0.31 0.00 0.00 0.00 175.10 175.58 1ud2 s TYR 98 N 1.10 2.97 -0.13 5.22 2.02 0.55 -0.56 117.35 128.51 1ud2 s TYR 98 Ca 0.00 -0.58 -0.13 0.00 -0.37 0.00 0.00 57.07 55.99 1ud2 s TYR 98 Cb -0.14 -2.01 -0.05 0.00 -0.40 0.00 0.00 41.96 39.36 1ud2 s TYR 98 CO -0.08 -0.26 0.28 0.20 -1.57 0.00 0.00 175.55 174.11 1ud2 s GLY 99 N 0.83 2.23 0.21 0.71 0.00 -0.71 -1.51 107.32 109.08 1ud2 s GLY 99 Ca -0.01 -0.46 -0.30 0.00 0.00 0.00 0.00 44.72 43.94 1ud2 s GLY 99 CO 0.02 0.25 1.35 -0.35 0.00 0.00 0.00 173.10 174.37 1ud2 s ASP 100 N 0.03 6.83 -0.20 1.64 -1.08 -1.12 -1.52 116.67 121.24 1ud2 s ASP 100 Ca 0.17 2.48 0.01 0.00 -0.52 0.00 0.00 52.55 54.69 1ud2 s ASP 100 Cb -0.13 -2.61 0.04 0.00 -1.46 0.00 0.00 42.92 38.75 1ud2 s ASP 100 CO 0.05 -0.57 -0.15 -0.69 0.52 0.00 0.00 175.17 174.32 1ud2 s VAL 101 N 0.08 1.93 -0.42 1.11 1.01 0.78 -4.58 120.40 120.31 1ud2 s VAL 101 Ca 0.57 -1.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 1ud2 s VAL 101 Cb -0.38 -1.88 0.10 0.00 0.00 0.00 0.00 36.38 34.22 1ud2 s VAL 101 CO 0.40 0.31 0.25 -0.69 0.00 0.00 0.00 175.10 175.36 1ud2 s VAL 102 N 1.29 3.73 0.00 2.92 1.01 -1.26 -1.35 120.40 126.74 1ud2 s VAL 102 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 61.98 60.16 1ud2 s VAL 102 Cb -0.15 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1ud2 s VAL 102 CO -0.10 -0.65 0.51 0.23 0.00 0.00 0.00 175.10 175.09 1ud2 n MET 103 N 4.75 -0.49 0.06 2.72 2.81 -1.26 -4.74 117.12 120.98 1ud2 n MET 103 Ca -0.06 -0.57 -0.05 0.00 -1.81 0.00 0.00 57.70 55.22 1ud2 n MET 103 Cb 0.42 -0.96 0.16 0.00 -0.71 0.00 0.00 33.22 32.13 1ud2 n MET 103 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 1ud2 h ASN 104 N 0.00 0.36 -5.21 7.83 -1.24 -1.90 -3.45 115.58 111.97 1ud2 h ASN 104 Ca 0.00 -0.17 -0.13 0.00 0.71 0.00 0.00 56.30 56.71 1ud2 h ASN 104 Cb 0.10 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 1ud2 h ASN 104 CO 0.00 0.78 0.10 -1.38 -1.29 0.00 0.00 177.43 175.65 1ud2 s HIS 105 N -4.06 0.51 0.04 0.67 -3.43 -1.26 -2.34 115.29 105.42 1ud2 s HIS 105 Ca -0.05 -1.03 0.01 0.00 -0.80 0.00 0.00 55.06 53.19 1ud2 s HIS 105 Cb 0.13 0.50 -0.03 0.00 -1.43 0.00 0.00 32.58 31.75 1ud2 s HIS 105 CO 0.80 -1.44 -0.05 0.15 -2.00 0.00 0.00 174.74 172.20 1ud2 s LYS 106 N -2.47 0.49 0.07 -0.38 1.02 -0.85 -4.79 119.74 112.82 1ud2 s LYS 106 Ca 0.21 -0.85 -0.02 0.00 0.02 0.00 0.00 55.97 55.33 1ud2 s LYS 106 Cb -0.03 -0.02 -0.03 0.00 -0.52 0.00 0.00 37.83 37.22 1ud2 s LYS 106 CO 0.15 -0.03 0.02 -1.64 -0.92 0.00 0.00 175.35 172.94 1ud2 s MET 107 N -2.24 0.70 -0.07 1.68 -1.94 0.27 -1.13 119.30 116.57 1ud2 s MET 107 Ca -0.07 -1.21 -0.00 0.00 -1.71 0.00 0.00 55.69 52.70 1ud2 s MET 107 Cb -0.05 0.24 0.00 0.00 2.01 0.00 0.00 34.83 37.03 1ud2 s MET 107 CO -0.03 -0.16 0.02 0.41 -0.01 0.00 0.00 175.02 175.24 1ud2 n GLY 108 N 0.05 0.51 3.60 -0.03 0.00 -1.26 -3.77 105.19 104.27 1ud2 n GLY 108 Ca -0.13 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 1ud2 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ud2 n ALA 109 N -1.53 0.05 0.16 4.61 0.00 -1.26 -4.90 120.51 117.65 1ud2 n ALA 109 Ca -0.01 0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.58 1ud2 n ALA 109 Cb 0.51 -2.07 0.24 0.00 0.00 0.00 0.00 19.45 18.13 1ud2 n ALA 109 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ud2 h ASP 110 N 1.02 0.00 -5.05 0.00 3.32 -0.74 -3.47 116.42 111.50 1ud2 h ASP 110 Ca -0.46 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 1ud2 h ASP 110 Cb 1.35 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.79 1ud2 h ASP 110 CO 0.54 0.49 0.06 0.72 -1.72 0.00 0.00 179.24 179.32 1ud2 s PHE 111 N -3.52 -0.30 0.38 4.55 -0.12 -1.07 -5.03 117.98 112.87 1ud2 s PHE 111 Ca 0.00 0.01 -0.04 0.00 -0.05 0.00 0.00 56.93 56.85 1ud2 s PHE 111 Cb 0.11 0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 1ud2 s PHE 111 CO 0.72 -0.81 0.65 0.95 -0.05 0.00 0.00 175.22 176.68 1ud2 s THR 112 N -3.80 4.99 0.05 -4.49 -4.23 -1.26 -1.88 115.64 105.02 1ud2 s THR 112 Ca 0.04 0.01 0.04 0.00 -1.18 0.00 0.00 61.69 60.59 1ud2 s THR 112 Cb 0.00 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 70.00 1ud2 s THR 112 CO -0.10 -0.59 -0.11 -1.61 -0.54 0.00 0.00 174.62 171.67 1ud2 s GLU 113 N -4.21 0.67 -0.09 3.99 2.02 0.17 -4.86 118.70 116.39 1ud2 s GLU 113 Ca 0.45 -0.82 -0.29 0.00 0.02 0.00 0.00 54.97 54.32 1ud2 s GLU 113 Cb -0.10 -0.56 -0.02 0.00 0.10 0.00 0.00 34.13 33.55 1ud2 s GLU 113 CO 0.37 0.12 0.98 0.00 0.02 0.00 0.00 175.26 176.75 1ud2 s ALA 114 N -1.26 3.36 -0.02 5.21 0.00 -1.26 -1.13 121.76 126.66 1ud2 s ALA 114 Ca -0.06 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.29 1ud2 s ALA 114 Cb -0.10 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.65 1ud2 s ALA 114 CO 0.01 -0.51 -0.01 0.08 0.00 0.00 0.00 175.76 175.33 1ud2 s VAL 115 N 1.77 0.15 -0.07 0.00 1.01 0.49 -4.95 120.40 118.80 1ud2 s VAL 115 Ca 0.48 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 1ud2 s VAL 115 Cb -0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 1ud2 s VAL 115 CO 0.20 0.10 1.22 -1.10 0.00 0.00 0.00 175.10 175.51 1ud2 s GLN 116 N 0.55 4.33 0.16 2.72 -1.52 -1.26 -0.51 119.66 124.13 1ud2 s GLN 116 Ca -0.05 1.68 -0.06 0.00 -1.95 0.00 0.00 55.36 54.98 1ud2 s GLN 116 Cb -0.08 -3.59 -0.02 0.00 -0.22 0.00 0.00 33.01 29.10 1ud2 s GLN 116 CO -0.01 -0.49 0.21 0.00 -0.25 0.00 0.00 175.29 174.75 1ud2 s ALA 117 N 2.43 0.33 0.02 6.09 0.00 0.29 -1.05 121.76 129.87 1ud2 s ALA 117 Ca 0.56 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 51.44 1ud2 s ALA 117 Cb -0.24 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 1ud2 s ALA 117 CO 0.21 -0.60 -0.12 0.14 0.00 0.00 0.00 175.76 175.38 1ud2 s VAL 118 N -4.01 0.96 0.33 0.00 -7.23 -0.47 -1.20 120.40 108.77 1ud2 s VAL 118 Ca 0.21 -0.82 -0.27 0.00 -1.81 0.00 0.00 61.98 59.29 1ud2 s VAL 118 Cb 0.05 -0.86 -0.09 0.00 0.56 0.00 0.00 36.38 36.03 1ud2 s VAL 118 CO 0.02 0.04 0.99 -1.10 -0.31 0.00 0.00 175.10 174.75 1ud2 s GLN 119 N -0.88 4.52 0.20 4.82 -0.21 -1.26 -1.58 119.66 125.26 1ud2 s GLN 119 Ca 0.01 1.47 0.09 0.00 0.02 0.00 0.00 55.36 56.95 1ud2 s GLN 119 Cb -0.07 -2.85 -0.05 0.00 1.00 0.00 0.00 33.01 31.05 1ud2 s GLN 119 CO 0.01 0.19 -0.17 0.14 -2.12 0.00 0.00 175.29 173.34 1ud2 s VAL 120 N -1.51 1.89 -0.17 1.09 -7.23 -0.61 0.13 120.40 113.99 1ud2 s VAL 120 Ca 0.50 -2.13 -0.29 0.00 -1.81 0.00 0.00 61.98 58.25 1ud2 s VAL 120 Cb -0.22 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 1ud2 s VAL 120 CO 0.28 -0.45 1.72 0.21 -0.31 0.00 0.00 175.10 176.54 1ud2 s ASN 121 N -3.09 6.34 0.48 4.85 3.84 0.60 -4.53 114.94 123.44 1ud2 s ASN 121 Ca 0.21 1.84 0.26 0.00 0.21 0.00 0.00 52.86 55.39 1ud2 s ASN 121 Cb -0.03 -2.53 1.32 0.00 -0.55 0.00 0.00 41.25 39.45 1ud2 s ASN 121 CO 0.08 -1.26 1.85 -0.65 -2.79 0.00 0.00 177.10 174.33 1ud2 h PRO 122 N 10.96 0.17 -0.28 0.43 0.11 -1.93 0.26 132.00 141.73 1ud2 h PRO 122 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1ud2 h PRO 122 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ud2 h PRO 122 CO 0.98 0.12 0.00 0.25 -0.21 0.00 0.00 178.00 179.14 1ud2 n THR 123 N -4.39 0.35 -2.78 -1.15 -2.24 -1.26 -4.57 114.28 98.24 1ud2 n THR 123 Ca 0.21 -0.57 -0.03 0.00 -2.27 0.00 0.00 64.05 61.39 1ud2 n THR 123 Cb 0.92 0.77 0.01 0.00 -2.10 0.00 0.00 70.33 69.93 1ud2 n THR 123 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ud2 s ASN 124 N -1.55 -1.10 0.00 3.42 2.47 0.85 -4.00 114.94 115.02 1ud2 s ASN 124 Ca 0.35 -1.21 0.01 0.00 0.42 0.00 0.00 52.86 52.44 1ud2 s ASN 124 Cb 0.20 1.44 0.06 0.00 -1.45 0.00 0.00 41.25 41.50 1ud2 s ASN 124 CO 0.29 -0.05 1.02 0.54 -3.72 0.00 0.00 177.10 175.18 1ud2 n ARG 125 N 3.03 0.00 0.13 0.43 3.00 -0.55 -1.03 116.66 121.67 1ud2 n ARG 125 Ca 0.15 0.46 0.13 0.00 -0.01 0.00 0.00 57.85 58.57 1ud2 n ARG 125 Cb 0.59 -1.50 0.41 0.00 0.00 0.00 0.00 32.46 31.96 1ud2 n ARG 125 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.63 176.14 1ud2 h TRP 126 N 0.00 0.00 -3.60 -1.55 -0.00 -1.85 -3.44 115.95 105.52 1ud2 h TRP 126 Ca 0.00 0.00 -0.66 0.00 -0.00 0.00 0.00 58.89 58.23 1ud2 h TRP 126 Cb 0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 29.16 28.94 1ud2 h TRP 126 CO 0.00 0.00 -0.63 -1.14 -0.00 0.00 0.00 178.44 176.67 1ud2 s GLN 127 N -3.18 3.50 0.40 0.49 0.74 -0.20 -5.04 119.66 116.37 1ud2 s GLN 127 Ca 0.09 -0.57 -0.23 0.00 0.05 0.00 0.00 55.36 54.69 1ud2 s GLN 127 Cb 0.11 -3.30 -0.10 0.00 1.10 0.00 0.00 33.01 30.82 1ud2 s GLN 127 CO 0.56 -0.25 1.00 -0.51 -0.55 0.00 0.00 175.29 175.55 1ud2 s ASP 128 N 1.58 6.87 -0.04 6.67 1.01 -1.26 -0.29 116.67 131.21 1ud2 s ASP 128 Ca 0.06 1.90 0.06 0.00 0.71 0.00 0.00 52.55 55.28 1ud2 s ASP 128 Cb -0.15 -2.57 0.09 0.00 1.01 0.00 0.00 42.92 41.29 1ud2 s ASP 128 CO 0.03 -0.41 0.99 2.30 0.21 0.00 0.00 175.17 178.29 1ud2 n ILE 129 N -0.16 1.10 -3.70 0.77 -5.35 0.12 -4.79 119.36 107.35 1ud2 n ILE 129 Ca 0.05 -1.22 -0.10 0.00 -0.27 0.00 0.00 62.75 61.22 1ud2 n ILE 129 Cb 0.51 0.33 -0.03 0.00 -1.74 0.00 0.00 39.64 38.70 1ud2 n ILE 129 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1ud2 s SER 130 N -1.47 -0.31 0.76 7.28 1.04 -1.22 -4.92 113.70 114.86 1ud2 s SER 130 Ca 0.10 -0.42 -0.09 0.00 0.48 0.00 0.00 55.95 56.02 1ud2 s SER 130 Cb 0.09 0.60 0.09 0.00 0.10 0.00 0.00 66.02 66.89 1ud2 s SER 130 CO 0.01 -1.07 1.09 -0.83 0.98 0.00 0.00 173.24 173.42 1ud2 s GLY 131 N -2.86 1.68 0.23 7.32 0.00 -1.26 -4.47 107.32 107.96 1ud2 s GLY 131 Ca 0.08 -0.94 -0.30 0.00 0.00 0.00 0.00 44.72 43.57 1ud2 s GLY 131 CO -0.03 -0.46 1.05 0.00 0.00 0.00 0.00 173.10 173.66 1ud2 s ALA 132 N -3.40 3.37 0.18 3.20 0.00 -1.26 -4.57 121.76 119.28 1ud2 s ALA 132 Ca 0.63 0.78 -0.13 0.00 0.00 0.00 0.00 51.96 53.23 1ud2 s ALA 132 Cb -0.10 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.73 1ud2 s ALA 132 CO 0.47 -0.07 0.41 1.52 0.00 0.00 0.00 175.76 178.09 1ud2 s TYR 133 N -0.82 0.15 -0.09 0.00 -0.85 -0.34 -4.92 117.35 110.47 1ud2 s TYR 133 Ca 0.45 -0.51 -0.23 0.00 -0.52 0.00 0.00 57.07 56.27 1ud2 s TYR 133 Cb -0.29 0.17 -0.03 0.00 0.38 0.00 0.00 41.96 42.19 1ud2 s TYR 133 CO 0.36 -0.83 0.67 0.99 -1.52 0.00 0.00 175.55 175.22 1ud2 s THR 134 N -3.93 5.05 0.35 -3.49 2.01 -1.26 -0.55 115.64 113.83 1ud2 s THR 134 Ca 0.14 1.36 0.08 0.00 0.31 0.00 0.00 61.69 63.57 1ud2 s THR 134 Cb 0.01 -4.00 -0.07 0.00 0.01 0.00 0.00 72.50 68.45 1ud2 s THR 134 CO -0.01 0.23 -0.05 0.27 -0.69 0.00 0.00 174.62 174.37 1ud2 s ILE 135 N 0.98 1.99 -0.35 1.82 -4.36 0.33 -4.91 121.20 116.70 1ud2 s ILE 135 Ca 0.35 -2.12 -0.06 0.00 -0.26 0.00 0.00 60.65 58.56 1ud2 s ILE 135 Cb -0.17 -2.71 0.05 0.00 1.25 0.00 0.00 42.46 40.88 1ud2 s ILE 135 CO 0.16 -0.15 0.12 -1.81 0.24 0.00 0.00 174.94 173.50 1ud2 s ASP 136 N -3.59 5.31 -0.01 4.36 1.01 -1.26 -0.38 116.67 122.11 1ud2 s ASP 136 Ca 0.33 -1.29 0.00 0.00 0.71 0.00 0.00 52.55 52.30 1ud2 s ASP 136 Cb 0.05 -1.87 -0.04 0.00 1.01 0.00 0.00 42.92 42.08 1ud2 s ASP 136 CO 0.16 -0.37 0.05 0.00 0.21 0.00 0.00 175.17 175.22 1ud2 s ALA 137 N 1.37 3.46 -0.99 5.23 0.00 -0.28 -0.76 121.76 129.78 1ud2 s ALA 137 Ca -0.01 -0.90 -0.22 0.00 0.00 0.00 0.00 51.96 50.83 1ud2 s ALA 137 Cb -0.20 -1.49 0.07 0.00 0.00 0.00 0.00 23.12 21.50 1ud2 s ALA 137 CO 0.02 0.67 1.37 -1.58 0.00 0.00 0.00 175.76 176.24 1ud2 s TRP 138 N -1.15 2.66 0.00 0.00 0.52 -1.26 -0.66 118.94 119.05 1ud2 s TRP 138 Ca 0.21 -0.95 0.00 0.00 0.02 0.00 0.00 56.10 55.38 1ud2 s TRP 138 Cb -0.12 -4.60 0.00 0.00 -1.15 0.00 0.00 33.47 27.60 1ud2 s TRP 138 CO 0.12 -1.84 0.03 0.25 0.02 0.00 0.00 176.95 175.54 1ud2 n THR 139 N 6.56 0.00 -3.07 2.01 -2.24 -1.19 -4.56 114.28 111.79 1ud2 n THR 139 Ca 0.30 -0.30 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1ud2 n THR 139 Cb 0.51 1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 69.72 1ud2 n THR 139 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ud2 s GLY 140 N -0.54 1.76 -0.20 3.38 0.00 -0.79 -3.46 107.32 107.48 1ud2 s GLY 140 Ca 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 44.72 44.15 1ud2 s GLY 140 CO 0.00 1.54 -0.17 -1.36 0.00 0.00 0.00 173.10 173.11 1ud2 s PHE 141 N 2.70 2.86 -0.28 1.90 0.40 -0.54 0.08 117.98 125.11 1ud2 s PHE 141 Ca 0.27 -1.68 0.09 0.00 -0.60 0.00 0.00 56.93 55.01 1ud2 s PHE 141 Cb -0.15 -1.94 -0.12 0.00 0.51 0.00 0.00 43.02 41.33 1ud2 s PHE 141 CO 0.12 -0.80 0.32 -0.25 0.70 0.00 0.00 175.22 175.31 1ud2 n ASP 142 N 4.61 1.31 -4.02 1.36 8.00 -1.26 -2.76 116.55 123.78 1ud2 n ASP 142 Ca -0.20 -0.46 -0.30 0.00 0.71 0.00 0.00 54.79 54.55 1ud2 n ASP 142 Cb 0.49 1.16 -0.01 0.00 -0.02 0.00 0.00 41.12 42.74 1ud2 n ASP 142 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ud2 n PHE 143 N -1.44 -1.85 -0.27 1.24 3.72 -1.26 -4.86 117.46 112.74 1ud2 n PHE 143 Ca 0.00 0.81 -0.07 0.00 -0.05 0.00 0.00 57.45 58.14 1ud2 n PHE 143 Cb 0.18 -3.56 -0.06 0.00 -0.94 0.00 0.00 39.48 35.10 1ud2 n PHE 143 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ud2 n SER 144 N -2.84 -0.67 0.24 4.37 7.64 -1.26 -0.95 113.62 120.15 1ud2 n SER 144 Ca -0.09 1.41 0.15 0.00 1.01 0.00 0.00 58.87 61.35 1ud2 n SER 144 Cb 0.58 -0.28 0.80 0.00 -1.01 0.00 0.00 64.21 64.30 1ud2 n SER 144 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1ud2 h GLY 145 N 0.00 0.00 2.00 0.23 0.00 -1.89 -2.28 103.07 101.12 1ud2 h GLY 145 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 1ud2 h GLY 145 CO -0.60 0.00 -0.13 -0.09 0.00 0.00 0.00 176.54 175.73 1ud2 h ARG 146 N 0.00 0.00 -3.93 4.80 2.43 -1.37 -3.42 114.38 112.90 1ud2 h ARG 146 Ca 0.00 0.00 -0.40 0.00 -0.81 0.00 0.00 59.98 58.77 1ud2 h ARG 146 Cb 0.13 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1ud2 h ARG 146 CO 0.00 0.13 -0.57 -1.71 -1.51 0.00 0.00 179.97 176.31 1ud2 n ASN 147 N -3.15 -5.86 -1.04 -3.80 5.15 -0.86 -1.81 115.26 103.90 1ud2 n ASN 147 Ca 0.03 -0.17 -0.14 0.00 -0.60 0.00 0.00 54.58 53.71 1ud2 n ASN 147 Cb 0.55 -4.80 -0.06 0.00 -0.53 0.00 0.00 39.78 34.94 1ud2 n ASN 147 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1ud2 n ASN 148 N -2.29 -5.00 -4.77 1.20 3.02 -1.26 -4.96 115.26 101.20 1ud2 n ASN 148 Ca -0.16 0.33 -0.41 0.00 -0.03 0.00 0.00 54.58 54.31 1ud2 n ASN 148 Cb 0.64 -3.69 -0.01 0.00 -0.61 0.00 0.00 39.78 36.11 1ud2 n ASN 148 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ud2 s ALA 149 N -2.38 3.56 0.00 5.41 0.00 -0.75 -3.00 121.76 124.60 1ud2 s ALA 149 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1ud2 s ALA 149 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1ud2 s ALA 149 CO 0.00 -0.81 0.00 0.66 0.00 0.00 0.00 175.76 175.61 1ud2 n TYR 150 N 1.09 0.00 -3.64 0.00 4.01 -1.26 -4.80 117.16 112.56 1ud2 n TYR 150 Ca 0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.67 1ud2 n TYR 150 Cb 0.40 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.36 1ud2 n TYR 150 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ud2 s SER 151 N 0.00 -0.60 -0.09 7.72 0.15 -1.16 -5.03 113.70 114.69 1ud2 s SER 151 Ca 0.00 1.10 0.17 0.00 0.70 0.00 0.00 55.95 57.92 1ud2 s SER 151 Cb 0.00 1.15 0.59 0.00 -1.71 0.00 0.00 66.02 66.05 1ud2 s SER 151 CO 0.00 -0.19 1.50 -0.90 1.20 0.00 0.00 173.24 174.86 1ud2 n ASP 152 N 2.80 4.13 -4.74 5.45 5.68 -1.26 -4.50 116.55 124.10 1ud2 n ASP 152 Ca -0.15 -2.40 -0.41 0.00 -0.50 0.00 0.00 54.79 51.33 1ud2 n ASP 152 Cb 0.56 -0.48 -0.03 0.00 -1.14 0.00 0.00 41.12 40.03 1ud2 n ASP 152 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1ud2 s PHE 153 N -1.74 3.26 -0.00 2.11 2.19 -1.26 -5.02 117.98 117.52 1ud2 s PHE 153 Ca 0.43 1.27 0.07 0.00 0.33 0.00 0.00 56.93 59.04 1ud2 s PHE 153 Cb 0.28 -3.58 -0.02 0.00 -1.31 0.00 0.00 43.02 38.38 1ud2 s PHE 153 CO 0.21 -1.77 -0.23 0.15 1.83 0.00 0.00 175.22 175.41 1ud2 s LYS 154 N -0.35 1.78 0.05 10.12 -0.14 -1.26 -4.99 119.74 124.95 1ud2 s LYS 154 Ca 0.55 -0.85 -0.09 0.00 -1.36 0.00 0.00 55.97 54.22 1ud2 s LYS 154 Cb -0.36 -1.76 -0.05 0.00 -1.68 0.00 0.00 37.83 33.97 1ud2 s LYS 154 CO 0.40 0.48 0.35 -1.58 -0.76 0.00 0.00 175.35 174.23 1ud2 s TRP 155 N -0.59 3.58 0.19 3.18 0.52 -1.11 -4.97 118.94 119.75 1ud2 s TRP 155 Ca 0.09 0.71 -0.00 0.00 0.02 0.00 0.00 56.10 56.91 1ud2 s TRP 155 Cb -0.09 -2.09 -0.04 0.00 -1.15 0.00 0.00 33.47 30.10 1ud2 s TRP 155 CO -0.00 0.56 0.10 1.03 0.02 0.00 0.00 176.95 178.66 1ud2 s ARG 156 N -1.85 1.18 0.45 4.98 3.00 -1.22 -1.46 118.95 124.02 1ud2 s ARG 156 Ca 0.31 -1.61 0.18 0.00 0.00 0.00 0.00 55.73 54.60 1ud2 s ARG 156 Cb -0.14 0.15 1.13 0.00 0.00 0.00 0.00 34.95 36.09 1ud2 s ARG 156 CO 0.17 -0.34 1.95 0.11 0.00 0.00 0.00 175.30 177.20 1ud2 h TRP 157 N 2.63 0.36 0.00 -0.53 5.08 -1.95 -1.17 115.95 120.38 1ud2 h TRP 157 Ca -0.36 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.62 1ud2 h TRP 157 Cb 1.24 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 27.28 1ud2 h TRP 157 CO 0.39 0.15 0.00 1.97 -1.28 0.00 0.00 178.44 179.67 1ud2 n PHE 158 N -4.45 0.00 0.80 0.12 1.16 -1.26 -1.42 117.46 112.40 1ud2 n PHE 158 Ca 0.12 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.82 1ud2 n PHE 158 Cb 0.52 -0.07 0.05 0.00 -1.61 0.00 0.00 39.48 38.37 1ud2 n PHE 158 CO 0.00 0.00 0.00 0.72 -1.87 0.00 0.00 176.76 175.61 1ud2 n HIS 159 N -1.07 0.11 -4.09 2.97 8.25 -0.44 -4.94 115.22 116.02 1ud2 n HIS 159 Ca 0.13 0.03 -0.24 0.00 -0.26 0.00 0.00 57.72 57.38 1ud2 n HIS 159 Cb 0.09 -0.27 -0.07 0.00 1.12 0.00 0.00 29.99 30.86 1ud2 n HIS 159 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1ud2 s PHE 160 N -3.09 2.62 0.00 4.41 0.08 -0.51 -1.51 117.98 119.97 1ud2 s PHE 160 Ca 0.07 -0.58 0.00 0.00 0.12 0.00 0.00 56.93 56.54 1ud2 s PHE 160 Cb 0.16 -1.97 0.00 0.00 -0.57 0.00 0.00 43.02 40.63 1ud2 s PHE 160 CO 0.79 0.17 0.47 0.27 -0.10 0.00 0.00 175.22 176.82 1ud2 n ASN 161 N -1.26 0.61 0.00 1.36 0.23 -0.50 -4.69 115.26 111.02 1ud2 n ASN 161 Ca -0.01 -1.22 0.00 0.00 -0.53 0.00 0.00 54.58 52.83 1ud2 n ASN 161 Cb 0.64 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.34 1ud2 n ASN 161 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ud2 n GLY 162 N -0.11 0.68 3.54 4.83 0.00 -1.25 -0.09 105.19 112.78 1ud2 n GLY 162 Ca 0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 1ud2 n GLY 162 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ud2 s VAL 163 N -2.00 0.00 -0.25 1.61 -7.23 -1.11 -1.18 120.40 110.25 1ud2 s VAL 163 Ca 0.00 -1.49 0.10 0.00 -1.81 0.00 0.00 61.98 58.78 1ud2 s VAL 163 Cb 0.00 -2.29 0.23 0.00 0.56 0.00 0.00 36.38 34.88 1ud2 s VAL 163 CO 0.00 0.00 1.16 -0.90 -0.31 0.00 0.00 175.10 175.05 1ud2 n ASP 164 N -0.47 2.59 -3.76 4.85 5.68 -1.25 -0.56 116.55 123.62 1ud2 n ASP 164 Ca -0.01 -2.47 -0.13 0.00 -0.50 0.00 0.00 54.79 51.68 1ud2 n ASP 164 Cb 0.62 -0.26 -0.13 0.00 -1.14 0.00 0.00 41.12 40.22 1ud2 n ASP 164 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 1ud2 s TRP 165 N -1.83 -0.24 -0.31 2.11 -0.11 -1.25 -2.38 118.94 114.93 1ud2 s TRP 165 Ca 0.20 0.61 -0.05 0.00 1.22 0.00 0.00 56.10 58.08 1ud2 s TRP 165 Cb 0.16 0.01 0.03 0.00 -1.50 0.00 0.00 33.47 32.17 1ud2 s TRP 165 CO 0.05 -0.17 0.05 0.34 -4.62 0.00 0.00 176.95 172.60 1ud2 s ASP 166 N 0.89 5.02 0.48 5.86 2.15 -0.04 -4.70 116.67 126.34 1ud2 s ASP 166 Ca -0.07 -1.01 0.27 0.00 0.43 0.00 0.00 52.55 52.18 1ud2 s ASP 166 Cb -0.08 -1.81 0.86 0.00 -0.30 0.00 0.00 42.92 41.59 1ud2 s ASP 166 CO -0.05 -0.25 1.80 -0.61 -0.17 0.00 0.00 175.17 175.89 1ud2 h GLN 167 N 8.15 0.00 0.31 4.34 5.75 -1.25 0.27 115.11 132.68 1ud2 h GLN 167 Ca -0.26 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.22 1ud2 h GLN 167 Cb 1.09 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.65 1ud2 h GLN 167 CO 0.58 0.06 -0.15 -0.09 -2.65 0.00 0.00 178.83 176.59 1ud2 h ARG 168 N 0.00 -0.40 -0.22 1.69 2.43 -1.92 -3.24 114.38 112.72 1ud2 h ARG 168 Ca -0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1ud2 h ARG 168 Cb 0.77 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1ud2 h ARG 168 CO 0.01 -0.11 0.00 0.66 -1.51 0.00 0.00 179.97 179.02 1ud2 n TYR 169 N -5.16 0.27 -3.44 2.20 4.02 -1.24 -5.01 117.16 108.80 1ud2 n TYR 169 Ca -0.10 -0.15 -0.14 0.00 -0.01 0.00 0.00 57.90 57.50 1ud2 n TYR 169 Cb 0.25 -0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.58 1ud2 n TYR 169 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1ud2 n GLN 170 N 1.28 -1.41 -3.95 -0.72 6.02 0.87 -5.02 117.38 114.45 1ud2 n GLN 170 Ca 0.15 1.07 -0.09 0.00 -0.01 0.00 0.00 57.00 58.12 1ud2 n GLN 170 Cb 0.55 -4.11 -0.10 0.00 1.02 0.00 0.00 30.24 27.60 1ud2 n GLN 170 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1ud2 s GLU 171 N -4.15 0.48 -0.17 -1.09 2.02 -0.78 -4.98 118.70 110.04 1ud2 s GLU 171 Ca 0.05 -0.68 -0.09 0.00 0.02 0.00 0.00 54.97 54.27 1ud2 s GLU 171 Cb -0.02 0.18 -0.05 0.00 0.10 0.00 0.00 34.13 34.35 1ud2 s GLU 171 CO 0.82 -0.11 0.13 -0.80 0.02 0.00 0.00 175.26 175.33 1ud2 s ASN 172 N -1.84 6.24 0.03 -0.19 -0.87 -1.26 -0.86 114.94 116.18 1ud2 s ASN 172 Ca -0.09 0.31 -0.27 0.00 -1.57 0.00 0.00 52.86 51.23 1ud2 s ASN 172 Cb -0.04 -2.07 0.09 0.00 -0.02 0.00 0.00 41.25 39.20 1ud2 s ASN 172 CO -0.03 0.26 0.76 -1.00 -2.57 0.00 0.00 177.10 174.52 1ud2 s HIS 173 N -0.12 -0.48 -0.38 2.20 3.76 -1.00 -5.00 115.29 114.27 1ud2 s HIS 173 Ca 0.10 0.48 -0.22 0.00 -0.15 0.00 0.00 55.06 55.27 1ud2 s HIS 173 Cb -0.11 0.51 0.01 0.00 1.11 0.00 0.00 32.58 34.10 1ud2 s HIS 173 CO 0.00 -0.64 0.71 0.42 -0.85 0.00 0.00 174.74 174.38 1ud2 s ILE 174 N -2.74 4.79 -0.13 0.60 -1.09 -1.26 -3.91 121.20 117.47 1ud2 s ILE 174 Ca -0.00 0.64 -0.05 0.00 -2.23 0.00 0.00 60.65 59.01 1ud2 s ILE 174 Cb -0.01 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 1ud2 s ILE 174 CO -0.06 -0.43 0.04 -0.36 -1.23 0.00 0.00 174.94 172.90 1ud2 s PHE 175 N 2.94 3.25 -0.13 3.97 0.40 0.27 -1.57 117.98 127.11 1ud2 s PHE 175 Ca 0.28 0.16 -0.02 0.00 -0.60 0.00 0.00 56.93 56.75 1ud2 s PHE 175 Cb -0.14 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 1ud2 s PHE 175 CO 0.17 0.36 -0.06 0.50 0.70 0.00 0.00 175.22 176.89 1ud2 s ARG 176 N -0.38 3.39 0.13 0.44 3.52 -0.62 -2.73 118.95 122.70 1ud2 s ARG 176 Ca 0.08 -0.55 -0.31 0.00 -0.13 0.00 0.00 55.73 54.82 1ud2 s ARG 176 Cb -0.12 -2.78 -0.08 0.00 -1.56 0.00 0.00 34.95 30.41 1ud2 s ARG 176 CO 0.02 0.35 1.37 -0.06 -0.81 0.00 0.00 175.30 176.17 1ud2 s PHE 177 N 0.05 3.25 0.35 5.12 0.08 0.87 -1.37 117.98 126.32 1ud2 s PHE 177 Ca -0.01 1.00 -0.28 0.00 0.12 0.00 0.00 56.93 57.76 1ud2 s PHE 177 Cb -0.14 -3.67 -0.12 0.00 -0.57 0.00 0.00 43.02 38.53 1ud2 s PHE 177 CO 0.03 -2.29 1.37 0.00 -0.10 0.00 0.00 175.22 174.23 1ud2 n ALA 178 N 3.76 1.70 -1.25 5.36 0.00 -0.22 -1.77 120.51 128.10 1ud2 n ALA 178 Ca 0.11 0.36 -0.09 0.00 0.00 0.00 0.00 53.44 53.82 1ud2 n ALA 178 Cb 0.42 -2.32 -0.04 0.00 0.00 0.00 0.00 19.45 17.52 1ud2 n ALA 178 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ud2 n ASN 179 N 0.74 -4.13 -4.21 0.00 5.03 -1.26 -4.94 115.26 106.48 1ud2 n ASN 179 Ca 0.04 0.21 -0.21 0.00 0.87 0.00 0.00 54.58 55.49 1ud2 n ASN 179 Cb 0.37 -2.38 -0.12 0.00 -1.02 0.00 0.00 39.78 36.62 1ud2 n ASN 179 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1ud2 s THR 180 N -2.28 1.34 0.11 3.41 -4.23 -0.73 -5.15 115.64 108.11 1ud2 s THR 180 Ca 0.00 -1.34 0.04 0.00 -1.18 0.00 0.00 61.69 59.21 1ud2 s THR 180 Cb 0.00 -1.24 -0.04 0.00 1.34 0.00 0.00 72.50 72.56 1ud2 s THR 180 CO 0.00 -0.12 0.09 0.20 -0.54 0.00 0.00 174.62 174.25 1ud2 s ASN 181 N -1.69 5.44 0.63 3.99 -0.87 -1.26 -4.77 114.94 116.41 1ud2 s ASN 181 Ca 0.02 -0.08 -0.17 0.00 -1.57 0.00 0.00 52.86 51.05 1ud2 s ASN 181 Cb -0.10 -1.42 -0.01 0.00 -0.02 0.00 0.00 41.25 39.70 1ud2 s ASN 181 CO 0.03 0.14 1.17 0.26 -2.57 0.00 0.00 177.10 176.12 1ud2 s TRP 182 N -1.51 2.42 0.86 2.20 0.23 -1.26 -4.96 118.94 116.92 1ud2 s TRP 182 Ca 0.29 1.55 -0.11 0.00 -2.03 0.00 0.00 56.10 55.80 1ud2 s TRP 182 Cb -0.11 -3.37 0.11 0.00 0.03 0.00 0.00 33.47 30.13 1ud2 s TRP 182 CO 0.22 -2.07 1.14 -0.80 0.96 0.00 0.00 176.95 176.40 1ud2 s ASN 183 N -1.96 3.43 -0.25 2.95 0.01 -1.26 -5.04 114.94 112.82 1ud2 s ASN 183 Ca 0.73 2.13 -0.26 0.00 -0.71 0.00 0.00 52.86 54.76 1ud2 s ASN 183 Cb -0.27 -2.56 0.08 0.00 0.41 0.00 0.00 41.25 38.91 1ud2 s ASN 183 CO 0.37 -2.76 0.78 0.86 -1.51 0.00 0.00 177.10 174.83 1ud2 s TRP 184 N -2.62 -0.71 0.22 2.20 -0.11 -1.26 -4.50 118.94 112.16 1ud2 s TRP 184 Ca 0.67 1.70 -0.17 0.00 1.22 0.00 0.00 56.10 59.52 1ud2 s TRP 184 Cb -0.22 0.30 -0.08 0.00 -1.50 0.00 0.00 33.47 31.97 1ud2 s TRP 184 CO 0.56 -0.37 0.67 0.50 -4.62 0.00 0.00 176.95 173.69 1ud2 s ARG 185 N 0.20 4.11 0.26 5.86 3.52 -1.26 -4.75 118.95 126.89 1ud2 s ARG 185 Ca -0.00 0.71 -0.00 0.00 -0.13 0.00 0.00 55.73 56.30 1ud2 s ARG 185 Cb -0.05 -2.80 -0.03 0.00 -1.56 0.00 0.00 34.95 30.52 1ud2 s ARG 185 CO 0.00 0.37 0.25 0.14 -0.81 0.00 0.00 175.30 175.25 1ud2 s VAL 186 N -1.61 0.00 0.54 7.11 -7.23 -1.26 -0.78 120.40 117.17 1ud2 s VAL 186 Ca 0.44 -1.89 -0.21 0.00 -1.81 0.00 0.00 61.98 58.51 1ud2 s VAL 186 Cb -0.15 -2.48 -0.06 0.00 0.56 0.00 0.00 36.38 34.25 1ud2 s VAL 186 CO 0.20 0.00 1.14 -0.67 -0.31 0.00 0.00 175.10 175.46 1ud2 n ASP 187 N -0.77 1.70 -0.98 4.85 2.03 -0.40 -4.80 116.55 118.18 1ud2 n ASP 187 Ca 0.03 0.92 0.12 0.00 0.52 0.00 0.00 54.79 56.38 1ud2 n ASP 187 Cb 0.64 -1.46 0.21 0.00 -0.72 0.00 0.00 41.12 39.79 1ud2 n ASP 187 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ud2 n GLU 188 N -0.80 2.31 -1.91 -0.67 1.02 -1.26 -1.15 120.64 118.17 1ud2 n GLU 188 Ca 0.11 -1.94 -0.41 0.00 -0.02 0.00 0.00 57.16 54.90 1ud2 n GLU 188 Cb 0.45 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.37 1ud2 n GLU 188 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1ud2 s GLU 189 N -1.75 4.20 -0.90 3.49 2.12 -1.26 -0.47 118.70 124.13 1ud2 s GLU 189 Ca 0.34 2.44 0.00 0.00 0.36 0.00 0.00 54.97 58.11 1ud2 s GLU 189 Cb 0.21 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.57 1ud2 s GLU 189 CO 0.31 -0.46 0.00 0.09 -0.54 0.00 0.00 175.26 174.66 1ud2 n ASN 190 N 1.29 -3.69 0.00 -1.70 3.02 -1.26 -3.41 115.26 109.52 1ud2 n ASN 190 Ca 0.03 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1ud2 n ASN 190 Cb 0.40 -2.45 0.00 0.00 -0.61 0.00 0.00 39.78 37.11 1ud2 n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ud2 n GLY 191 N -1.45 2.03 2.64 7.41 0.00 0.38 -1.49 105.19 114.71 1ud2 n GLY 191 Ca -0.10 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 1ud2 n GLY 191 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ud2 s ASN 192 N 0.00 1.74 -0.40 1.61 3.84 -1.25 -4.46 114.94 116.02 1ud2 s ASN 192 Ca 0.00 -0.26 0.03 0.00 0.21 0.00 0.00 52.86 52.83 1ud2 s ASN 192 Cb 0.00 -0.19 0.53 0.00 -0.55 0.00 0.00 41.25 41.05 1ud2 s ASN 192 CO 0.00 -0.30 1.80 0.00 -2.79 0.00 0.00 177.10 175.81 1ud2 n TYR 193 N 5.29 2.59 -0.11 0.43 4.19 -0.30 -4.48 117.16 124.76 1ud2 n TYR 193 Ca -0.05 -1.77 -0.09 0.00 3.31 0.00 0.00 57.90 59.30 1ud2 n TYR 193 Cb 0.49 -0.90 -0.01 0.00 0.49 0.00 0.00 39.34 39.42 1ud2 n TYR 193 CO 0.00 0.00 0.00 0.22 0.91 0.00 0.00 176.86 177.99 1ud2 h ASP 194 N 0.97 0.42 -3.36 2.98 3.58 -1.80 -3.41 116.42 115.80 1ud2 h ASP 194 Ca 0.53 -0.04 -0.57 0.00 0.42 0.00 0.00 57.03 57.38 1ud2 h ASP 194 Cb 2.34 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 43.22 1ud2 h ASP 194 CO 0.98 0.33 0.18 -0.47 -2.88 0.00 0.00 179.24 177.38 1ud2 s TYR 195 N -6.07 3.53 0.05 0.28 5.04 -1.26 -4.77 117.35 114.15 1ud2 s TYR 195 Ca -0.13 1.25 -0.01 0.00 -2.44 0.00 0.00 57.07 55.74 1ud2 s TYR 195 Cb 0.10 -2.87 -0.00 0.00 0.35 0.00 0.00 41.96 39.53 1ud2 s TYR 195 CO 0.72 -0.02 -0.02 -0.11 -1.34 0.00 0.00 175.55 174.78 1ud2 n LEU 196 N 4.24 0.87 -3.83 6.97 7.94 -1.26 -5.13 117.00 126.80 1ud2 n LEU 196 Ca 0.01 0.12 -0.07 0.00 -1.11 0.00 0.00 56.01 54.95 1ud2 n LEU 196 Cb 0.51 -0.29 -0.00 0.00 0.53 0.00 0.00 43.42 44.17 1ud2 n LEU 196 CO 0.47 -0.66 0.56 -1.48 -1.11 0.00 0.00 177.39 175.18 1ud2 s LEU 197 N -6.52 -0.13 0.00 -1.96 2.34 -1.26 -5.05 118.68 106.09 1ud2 s LEU 197 Ca -0.02 -0.76 0.00 0.00 0.06 0.00 0.00 54.13 53.41 1ud2 s LEU 197 Cb 0.00 2.62 0.00 0.00 -0.56 0.00 0.00 46.19 48.25 1ud2 s LEU 197 CO 0.03 -1.36 0.00 0.61 -1.06 0.00 0.00 176.35 174.57 1ud2 n GLY 198 N -0.51 0.87 3.52 -3.48 0.00 -1.26 -4.38 105.19 99.95 1ud2 n GLY 198 Ca -0.06 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1ud2 n GLY 198 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ud2 s SER 199 N -4.00 6.26 -0.17 1.61 0.01 -0.29 -4.21 113.70 112.91 1ud2 s SER 199 Ca 0.00 -0.39 -0.29 0.00 1.31 0.00 0.00 55.95 56.58 1ud2 s SER 199 Cb 0.00 -2.26 -0.01 0.00 0.21 0.00 0.00 66.02 63.96 1ud2 s SER 199 CO 0.00 -0.59 1.19 0.21 0.41 0.00 0.00 173.24 174.47 1ud2 s ASN 200 N 1.84 7.00 0.14 2.44 2.47 -0.32 -2.02 114.94 126.49 1ud2 s ASN 200 Ca 0.16 1.62 -0.31 0.00 0.42 0.00 0.00 52.86 54.76 1ud2 s ASN 200 Cb -0.16 -2.54 -0.08 0.00 -1.45 0.00 0.00 41.25 37.02 1ud2 s ASN 200 CO 0.15 -0.71 1.30 -0.63 -3.72 0.00 0.00 177.10 173.49 1ud2 s ILE 201 N 3.26 3.45 -0.47 -5.21 1.01 -0.99 -1.40 121.20 120.85 1ud2 s ILE 201 Ca 0.52 1.10 -0.16 0.00 0.00 0.00 0.00 60.65 62.12 1ud2 s ILE 201 Cb -0.20 -3.71 0.07 0.00 0.01 0.00 0.00 42.46 38.63 1ud2 s ILE 201 CO 0.13 0.12 0.40 -0.62 0.00 0.00 0.00 174.94 174.97 1ud2 s ASP 202 N 0.76 6.15 0.00 3.58 -1.08 -0.57 -4.78 116.67 120.73 1ud2 s ASP 202 Ca 0.60 -1.26 0.25 0.00 -0.52 0.00 0.00 52.55 51.62 1ud2 s ASP 202 Cb -0.35 -2.19 1.28 0.00 -1.46 0.00 0.00 42.92 40.21 1ud2 s ASP 202 CO 0.33 -0.64 1.86 0.49 0.52 0.00 0.00 175.17 177.73 1ud2 n PHE 203 N 5.25 0.00 0.33 -5.34 3.01 -1.26 -3.46 117.46 116.00 1ud2 n PHE 203 Ca -0.12 0.00 0.22 0.00 1.01 0.00 0.00 57.45 58.56 1ud2 n PHE 203 Cb 0.44 -0.29 1.17 0.00 -0.01 0.00 0.00 39.48 40.79 1ud2 n PHE 203 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1ud2 h SER 204 N 0.00 0.00 -3.16 4.37 4.64 -1.95 -3.42 113.55 114.03 1ud2 h SER 204 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 1ud2 h SER 204 Cb 0.25 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.27 1ud2 h SER 204 CO 0.00 0.00 0.71 -1.00 -0.87 0.00 0.00 176.83 175.67 1ud2 s HIS 205 N -4.22 3.32 0.28 4.77 3.76 -1.22 -4.94 115.29 117.03 1ud2 s HIS 205 Ca -0.05 1.35 0.01 0.00 -0.15 0.00 0.00 55.06 56.22 1ud2 s HIS 205 Cb 0.13 -3.24 0.57 0.00 1.11 0.00 0.00 32.58 31.15 1ud2 s HIS 205 CO 0.43 -0.48 1.80 -1.35 -0.85 0.00 0.00 174.74 174.29 1ud2 h PRO 206 N 7.56 0.82 -0.41 8.40 0.11 -1.94 -0.17 132.00 146.37 1ud2 h PRO 206 Ca -0.20 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 1ud2 h PRO 206 Cb 1.07 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 1ud2 h PRO 206 CO 0.95 0.54 0.19 1.05 -0.21 0.00 0.00 178.00 180.52 1ud2 h GLU 207 N 0.84 0.57 -0.13 1.05 9.09 -1.94 -0.72 114.58 123.34 1ud2 h GLU 207 Ca 0.50 -0.06 -0.07 0.00 0.05 0.00 0.00 59.36 59.77 1ud2 h GLU 207 Cb 0.59 -0.11 -0.00 0.00 -1.65 0.00 0.00 28.75 27.58 1ud2 h GLU 207 CO -0.31 0.46 -0.20 0.28 0.05 0.00 0.00 179.01 179.29 1ud2 h VAL 208 N 0.57 1.37 -0.28 -1.06 2.07 -1.41 -1.71 116.25 115.81 1ud2 h VAL 208 Ca 0.14 -1.44 0.05 0.00 0.82 0.00 0.00 66.70 66.28 1ud2 h VAL 208 Cb 0.08 2.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 1ud2 h VAL 208 CO -0.02 0.42 -0.04 1.56 0.02 0.00 0.00 177.57 179.51 1ud2 h GLN 209 N -0.05 0.03 -0.53 1.57 4.20 -0.83 -2.22 115.11 117.29 1ud2 h GLN 209 Ca 0.01 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 1ud2 h GLN 209 Cb 0.77 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 1ud2 h GLN 209 CO 0.05 0.02 -0.03 -0.44 -0.67 0.00 0.00 178.83 177.75 1ud2 h ASP 210 N 0.04 0.94 -0.10 1.46 3.32 -1.18 -2.58 116.42 118.33 1ud2 h ASP 210 Ca 0.13 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 56.87 1ud2 h ASP 210 Cb 0.19 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1ud2 h ASP 210 CO -0.26 1.04 0.01 -0.08 -1.72 0.00 0.00 179.24 178.23 1ud2 h GLU 211 N 0.82 0.05 0.00 3.56 4.57 -1.02 -0.10 114.58 122.47 1ud2 h GLU 211 Ca 0.14 -0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1ud2 h GLU 211 Cb 0.58 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1ud2 h GLU 211 CO 0.03 0.03 -0.33 -0.07 -1.18 0.00 0.00 179.01 177.50 1ud2 h LEU 212 N 0.05 0.00 -0.15 1.64 3.38 -1.43 0.19 115.31 118.99 1ud2 h LEU 212 Ca 0.04 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1ud2 h LEU 212 Cb 0.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ud2 h LEU 212 CO -0.06 0.33 -0.51 0.11 0.09 0.00 0.00 178.44 178.39 1ud2 h LYS 213 N 0.00 0.61 -0.33 1.13 1.57 -1.15 -1.27 116.57 117.13 1ud2 h LYS 213 Ca -0.00 -0.46 -0.14 0.00 -1.87 0.00 0.00 60.65 58.18 1ud2 h LYS 213 Cb 0.75 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 1ud2 h LYS 213 CO 0.04 1.08 -0.35 -0.44 -0.57 0.00 0.00 179.45 179.21 1ud2 h ASP 214 N 0.27 0.80 -0.41 0.86 3.32 -0.71 -2.28 116.42 118.27 1ud2 h ASP 214 Ca -0.02 -0.35 -0.04 0.00 0.02 0.00 0.00 57.03 56.64 1ud2 h ASP 214 Cb 1.14 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1ud2 h ASP 214 CO 0.11 1.08 0.10 -0.25 -1.72 0.00 0.00 179.24 178.55 1ud2 h TRP 215 N 0.63 0.69 -0.50 4.55 7.01 -0.62 -1.40 115.95 126.31 1ud2 h TRP 215 Ca 0.06 -0.08 0.07 0.00 2.11 0.00 0.00 58.89 61.05 1ud2 h TRP 215 Cb 0.90 -0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 27.70 1ud2 h TRP 215 CO 0.05 0.66 0.15 0.78 -2.79 0.00 0.00 178.44 177.28 1ud2 h GLY 216 N 0.52 0.65 0.97 2.65 0.00 -1.05 0.25 103.07 107.04 1ud2 h GLY 216 Ca 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 1ud2 h GLY 216 CO 0.00 -0.02 0.16 0.23 0.00 0.00 0.00 176.54 176.91 1ud2 h SER 217 N 0.31 0.70 -0.26 0.19 0.87 -1.27 0.89 113.55 114.99 1ud2 h SER 217 Ca 0.24 -0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1ud2 h SER 217 Cb 0.28 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1ud2 h SER 217 CO -0.27 0.72 0.15 -0.25 -0.53 0.00 0.00 176.83 176.65 1ud2 h TRP 218 N 0.65 0.28 -0.20 2.24 7.01 -0.55 -0.63 115.95 124.75 1ud2 h TRP 218 Ca 0.16 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.17 1ud2 h TRP 218 Cb 0.26 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.22 1ud2 h TRP 218 CO 0.01 0.17 0.13 0.35 -2.79 0.00 0.00 178.44 176.31 1ud2 h PHE 219 N 0.31 0.26 -0.24 2.65 3.57 -0.31 0.12 116.94 123.31 1ud2 h PHE 219 Ca 0.10 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1ud2 h PHE 219 Cb -0.01 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 1ud2 h PHE 219 CO -0.08 0.20 0.06 1.15 -2.23 0.00 0.00 178.31 177.42 1ud2 h THR 220 N 0.25 0.91 -0.34 4.41 2.02 -0.62 -2.29 112.91 117.26 1ud2 h THR 220 Ca 0.07 -0.06 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 1ud2 h THR 220 Cb 0.01 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1ud2 h THR 220 CO -0.01 0.03 -0.12 0.44 0.37 0.00 0.00 175.52 176.23 1ud2 h ASP 221 N 0.17 0.69 -0.71 4.18 3.32 -0.93 0.29 116.42 123.43 1ud2 h ASP 221 Ca 0.11 -0.38 0.07 0.00 0.02 0.00 0.00 57.03 56.84 1ud2 h ASP 221 Cb 0.09 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.39 1ud2 h ASP 221 CO -0.13 0.92 0.39 -0.08 -1.72 0.00 0.00 179.24 178.62 1ud2 h GLU 222 N 0.46 0.69 -0.02 3.56 4.57 -0.60 -2.82 114.58 120.41 1ud2 h GLU 222 Ca 0.08 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1ud2 h GLU 222 Cb 0.64 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1ud2 h GLU 222 CO 0.04 0.46 -0.07 1.28 -1.18 0.00 0.00 179.01 179.53 1ud2 n LEU 223 N -4.78 2.65 -3.74 1.64 4.77 -0.88 -4.99 117.00 111.68 1ud2 n LEU 223 Ca 0.10 -0.96 -0.22 0.00 -0.03 0.00 0.00 56.01 54.90 1ud2 n LEU 223 Cb 0.20 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1ud2 n LEU 223 CO 0.28 0.46 -0.10 -0.67 -1.33 0.00 0.00 177.39 176.03 1ud2 n ASP 224 N 1.01 -1.12 -4.74 -1.43 4.64 0.94 -4.93 116.55 110.92 1ud2 n ASP 224 Ca 0.12 -0.85 -0.32 0.00 -1.38 0.00 0.00 54.79 52.35 1ud2 n ASP 224 Cb 0.52 -3.89 0.10 0.00 -1.04 0.00 0.00 41.12 36.81 1ud2 n ASP 224 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1ud2 s LEU 225 N -6.70 3.12 0.00 -2.67 1.43 -0.76 -4.91 118.68 108.18 1ud2 s LEU 225 Ca 0.01 2.07 0.09 0.00 -1.03 0.00 0.00 54.13 55.27 1ud2 s LEU 225 Cb -0.00 -4.55 0.12 0.00 0.03 0.00 0.00 46.19 41.79 1ud2 s LEU 225 CO 0.82 -2.27 0.91 0.47 0.23 0.00 0.00 176.35 176.52 1ud2 n ASP 226 N -3.29 2.05 0.00 2.29 8.00 0.28 -4.96 116.55 120.91 1ud2 n ASP 226 Ca 0.11 -1.57 0.00 0.00 0.71 0.00 0.00 54.79 54.04 1ud2 n ASP 226 Cb 0.52 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1ud2 n ASP 226 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ud2 n GLY 227 N 0.43 -2.00 3.12 0.44 0.00 -1.16 -1.26 105.19 104.76 1ud2 n GLY 227 Ca 0.06 -1.20 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 1ud2 n GLY 227 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ud2 s TYR 228 N -2.44 0.55 -0.27 1.61 1.51 -0.15 -1.73 117.35 116.43 1ud2 s TYR 228 Ca 0.00 -1.05 0.02 0.00 -1.01 0.00 0.00 57.07 55.03 1ud2 s TYR 228 Cb 0.00 -0.37 0.06 0.00 -0.11 0.00 0.00 41.96 41.54 1ud2 s TYR 228 CO 0.00 -0.43 -0.07 0.50 -1.11 0.00 0.00 175.55 174.43 1ud2 s ARG 229 N -3.94 2.26 -0.46 -0.62 3.00 -0.58 -2.02 118.95 116.58 1ud2 s ARG 229 Ca 0.11 -1.35 -0.25 0.00 -1.00 0.00 0.00 55.73 53.23 1ud2 s ARG 229 Cb 0.07 -2.98 0.03 0.00 0.00 0.00 0.00 34.95 32.07 1ud2 s ARG 229 CO -0.07 -0.60 0.90 -0.51 0.00 0.00 0.00 175.30 175.01 1ud2 s LEU 230 N 1.13 4.06 0.27 -0.88 1.43 -0.07 -0.16 118.68 124.47 1ud2 s LEU 230 Ca -0.07 0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.78 1ud2 s LEU 230 Cb -0.20 -3.13 -0.09 0.00 0.03 0.00 0.00 46.19 42.80 1ud2 s LEU 230 CO -0.04 -1.03 1.11 -0.62 0.23 0.00 0.00 176.35 176.00 1ud2 s ASP 231 N 2.26 7.24 -1.70 2.29 2.15 -0.45 -0.71 116.67 127.76 1ud2 s ASP 231 Ca 0.35 2.27 -0.13 0.00 0.43 0.00 0.00 52.55 55.47 1ud2 s ASP 231 Cb -0.11 -2.62 0.12 0.00 -0.30 0.00 0.00 42.92 40.01 1ud2 s ASP 231 CO 0.25 -0.17 0.42 0.00 -0.17 0.00 0.00 175.17 175.50 1ud2 n ALA 232 N 1.33 -1.56 0.30 3.66 0.00 -1.25 -4.67 120.51 118.32 1ud2 n ALA 232 Ca -0.01 -0.25 0.16 0.00 0.00 0.00 0.00 53.44 53.35 1ud2 n ALA 232 Cb 0.45 -2.02 0.76 0.00 0.00 0.00 0.00 19.45 18.64 1ud2 n ALA 232 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1ud2 h ILE 233 N -1.38 0.00 0.00 0.00 3.07 -1.69 -2.22 117.51 115.29 1ud2 h ILE 233 Ca -0.62 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 65.58 1ud2 h ILE 233 Cb 1.39 1.05 0.00 0.00 -0.27 0.00 0.00 36.82 38.99 1ud2 h ILE 233 CO 0.79 0.00 0.00 2.29 -1.05 0.00 0.00 178.15 180.18 1ud2 n LYS 234 N -2.72 0.03 0.00 0.16 2.85 -1.26 -2.15 118.16 115.07 1ud2 n LYS 234 Ca -0.00 0.15 0.09 0.00 -1.05 0.00 0.00 58.31 57.50 1ud2 n LYS 234 Cb 0.17 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.05 1ud2 n LYS 234 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1ud2 n HIS 235 N -1.48 0.00 -4.23 5.58 8.25 -0.84 -1.28 115.22 121.23 1ud2 n HIS 235 Ca 0.05 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.17 1ud2 n HIS 235 Cb 0.22 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.23 1ud2 n HIS 235 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ud2 s ILE 236 N -2.09 4.40 -0.11 1.59 1.01 -0.92 -4.52 121.20 120.57 1ud2 s ILE 236 Ca 0.15 -0.19 -0.39 0.00 0.00 0.00 0.00 60.65 60.23 1ud2 s ILE 236 Cb 0.15 -2.93 -0.17 0.00 0.01 0.00 0.00 42.46 39.53 1ud2 s ILE 236 CO 0.46 0.52 1.51 -0.81 0.00 0.00 0.00 174.94 176.62 1ud2 n PRO 237 N 3.07 1.02 -0.22 2.79 -0.04 -1.26 -4.76 135.00 135.60 1ud2 n PRO 237 Ca -0.18 0.37 -0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1ud2 n PRO 237 Cb 0.53 -2.02 0.11 0.00 -0.04 0.00 0.00 33.50 32.08 1ud2 n PRO 237 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1ud2 h PHE 238 N 5.64 0.56 -0.83 0.54 0.04 -1.25 -2.08 116.94 119.55 1ud2 h PHE 238 Ca -0.47 0.03 0.12 0.00 2.80 0.00 0.00 57.97 60.44 1ud2 h PHE 238 Cb 1.34 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 39.27 1ud2 h PHE 238 CO 0.67 0.21 0.54 0.11 -0.60 0.00 0.00 178.31 179.25 1ud2 h TRP 239 N 0.55 0.79 -0.11 -0.55 5.08 -1.88 -2.55 115.95 117.28 1ud2 h TRP 239 Ca 0.31 0.02 -0.16 0.00 1.08 0.00 0.00 58.89 60.15 1ud2 h TRP 239 Cb 0.31 -0.25 0.01 0.00 -3.00 0.00 0.00 29.16 26.23 1ud2 h TRP 239 CO -0.12 0.34 -0.55 -0.92 -1.28 0.00 0.00 178.44 175.91 1ud2 h TYR 240 N 0.71 0.76 -0.99 0.12 3.20 -1.74 -2.25 116.97 116.78 1ud2 h TYR 240 Ca 0.40 -0.34 0.08 0.00 3.14 0.00 0.00 58.73 62.01 1ud2 h TYR 240 Cb 0.57 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.65 1ud2 h TYR 240 CO -0.00 1.13 0.64 1.15 -1.64 0.00 0.00 178.16 179.44 1ud2 h THR 241 N 0.18 1.05 -0.16 1.81 2.02 -1.30 0.36 112.91 116.87 1ud2 h THR 241 Ca -0.04 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 1ud2 h THR 241 Cb 1.20 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1ud2 h THR 241 CO 0.11 0.21 0.05 -1.28 0.37 0.00 0.00 175.52 174.98 1ud2 h SER 242 N 1.12 0.23 -0.30 4.18 0.87 -1.44 -0.07 113.55 118.15 1ud2 h SER 242 Ca 0.44 -0.20 0.04 0.00 -1.23 0.00 0.00 61.79 60.84 1ud2 h SER 242 Cb 0.24 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 1ud2 h SER 242 CO -0.19 0.37 0.08 0.44 -0.53 0.00 0.00 176.83 177.00 1ud2 h ASP 243 N 0.08 0.06 -0.01 6.23 3.32 -0.61 -0.87 116.42 124.62 1ud2 h ASP 243 Ca 0.05 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.15 1ud2 h ASP 243 Cb 0.22 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1ud2 h ASP 243 CO -0.00 0.07 -0.05 -0.25 -1.72 0.00 0.00 179.24 177.29 1ud2 h TRP 244 N 0.20 -0.11 -0.16 4.55 7.01 -0.16 0.25 115.95 127.53 1ud2 h TRP 244 Ca 0.14 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.15 1ud2 h TRP 244 Cb 0.13 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.23 1ud2 h TRP 244 CO -0.15 -0.07 0.08 0.28 -2.79 0.00 0.00 178.44 175.78 1ud2 h VAL 245 N -0.08 1.00 -0.59 2.65 2.07 -0.81 -0.59 116.25 119.91 1ud2 h VAL 245 Ca 0.02 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1ud2 h VAL 245 Cb 0.11 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1ud2 h VAL 245 CO -0.06 0.03 0.39 0.03 0.02 0.00 0.00 177.57 177.98 1ud2 h ARG 246 N 0.17 0.75 -0.30 1.57 3.08 -0.95 -2.09 114.38 116.61 1ud2 h ARG 246 Ca 0.06 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1ud2 h ARG 246 Cb 0.01 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1ud2 h ARG 246 CO -0.04 0.50 0.04 1.25 -1.07 0.00 0.00 179.97 180.65 1ud2 h HIS 247 N 0.78 0.54 -0.33 3.04 2.76 -0.20 -2.34 115.15 119.39 1ud2 h HIS 247 Ca 0.22 -0.08 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1ud2 h HIS 247 Cb -0.06 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.74 1ud2 h HIS 247 CO -0.00 0.60 0.19 1.96 -1.30 0.00 0.00 177.93 179.38 1ud2 h GLN 248 N 0.32 0.46 0.00 5.26 1.08 -0.55 -1.47 115.11 120.22 1ud2 h GLN 248 Ca 0.09 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 1ud2 h GLN 248 Cb 0.36 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1ud2 h GLN 248 CO 0.01 0.37 -0.12 0.00 -0.95 0.00 0.00 178.83 178.14 1ud2 h ARG 249 N 0.42 0.00 -0.01 1.46 3.08 -1.39 -0.36 114.38 117.58 1ud2 h ARG 249 Ca 0.12 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.97 1ud2 h ARG 249 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1ud2 h ARG 249 CO -0.02 0.12 -0.86 -0.97 -1.07 0.00 0.00 179.97 177.17 1ud2 h ASN 250 N 0.00 0.33 1.09 7.04 -0.73 -0.82 -3.30 115.58 119.18 1ud2 h ASN 250 Ca -0.00 -0.26 -0.11 0.00 1.87 0.00 0.00 56.30 57.80 1ud2 h ASN 250 Cb 0.25 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.72 1ud2 h ASN 250 CO 0.02 1.04 -0.97 -0.33 -0.37 0.00 0.00 177.43 176.82 1ud2 h GLU 251 N 0.15 0.00 -5.89 6.67 4.39 -0.39 -3.46 114.58 116.05 1ud2 h GLU 251 Ca -0.05 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.02 1ud2 h GLU 251 Cb 1.47 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.06 1ud2 h GLU 251 CO 0.14 0.31 -0.35 0.00 -1.16 0.00 0.00 179.01 177.95 1ud2 s ALA 252 N -3.01 3.80 0.05 3.43 0.00 -0.23 -5.01 121.76 120.79 1ud2 s ALA 252 Ca 0.00 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.33 1ud2 s ALA 252 Cb 0.08 -2.15 -0.32 0.00 0.00 0.00 0.00 23.12 20.74 1ud2 s ALA 252 CO 0.78 0.59 1.07 -0.44 0.00 0.00 0.00 175.76 177.75 1ud2 h ASP 253 N 4.40 0.88 -4.27 0.00 3.32 -1.90 -3.46 116.42 115.39 1ud2 h ASP 253 Ca -0.52 -0.85 -0.50 0.00 0.02 0.00 0.00 57.03 55.18 1ud2 h ASP 253 Cb 1.21 -0.28 0.12 0.00 0.22 0.00 0.00 39.33 40.60 1ud2 h ASP 253 CO 0.63 1.65 0.32 0.00 -1.72 0.00 0.00 179.24 180.13 1ud2 s GLN 254 N -2.85 2.22 0.52 3.56 0.00 -1.26 -5.01 119.66 116.84 1ud2 s GLN 254 Ca -0.09 0.92 -0.19 0.00 -0.00 0.00 0.00 55.36 55.99 1ud2 s GLN 254 Cb 0.05 -1.91 -0.07 0.00 0.00 0.00 0.00 33.01 31.08 1ud2 s GLN 254 CO 0.94 -1.60 1.07 -0.51 0.00 0.00 0.00 175.29 175.19 1ud2 s ASP 255 N -3.63 6.04 -0.20 12.60 1.01 -1.26 -5.01 116.67 126.21 1ud2 s ASP 255 Ca 0.61 2.00 -0.01 0.00 0.71 0.00 0.00 52.55 55.86 1ud2 s ASP 255 Cb -0.16 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.26 1ud2 s ASP 255 CO 0.55 -0.99 -0.03 -0.76 0.21 0.00 0.00 175.17 174.15 1ud2 s LEU 256 N -3.75 1.87 0.21 1.23 1.43 -1.26 -4.55 118.68 113.86 1ud2 s LEU 256 Ca 0.69 -0.91 -0.28 0.00 -1.03 0.00 0.00 54.13 52.59 1ud2 s LEU 256 Cb -0.19 -0.93 -0.09 0.00 0.03 0.00 0.00 46.19 45.02 1ud2 s LEU 256 CO 0.25 -0.24 0.87 0.12 0.23 0.00 0.00 176.35 177.58 1ud2 s PHE 257 N 1.60 3.95 -0.08 0.29 5.36 -0.39 -4.89 117.98 123.83 1ud2 s PHE 257 Ca -0.02 1.80 0.00 0.00 -0.96 0.00 0.00 56.93 57.75 1ud2 s PHE 257 Cb -0.17 -2.89 0.02 0.00 -0.34 0.00 0.00 43.02 39.64 1ud2 s PHE 257 CO -0.07 0.48 -0.07 0.08 -1.46 0.00 0.00 175.22 174.18 1ud2 s VAL 258 N -1.17 0.85 -0.13 3.12 1.01 -1.26 -0.97 120.40 121.84 1ud2 s VAL 258 Ca 0.39 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.15 1ud2 s VAL 258 Cb -0.25 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.29 1ud2 s VAL 258 CO 0.30 0.32 -0.14 0.54 0.00 0.00 0.00 175.10 176.12 1ud2 s VAL 259 N 1.39 1.49 0.10 2.92 0.11 -0.86 -0.89 120.40 124.65 1ud2 s VAL 259 Ca -0.02 -0.60 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 1ud2 s VAL 259 Cb -0.13 -1.39 -0.04 0.00 -1.53 0.00 0.00 36.38 33.29 1ud2 s VAL 259 CO -0.04 0.44 0.25 -0.83 -3.33 0.00 0.00 175.10 171.60 1ud2 s GLY 260 N 1.30 2.06 -0.75 6.54 0.00 -0.13 -0.89 107.32 115.46 1ud2 s GLY 260 Ca 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 44.72 43.75 1ud2 s GLY 260 CO -0.07 -0.84 0.66 1.85 0.00 0.00 0.00 173.10 174.70 1ud2 s GLU 261 N -2.74 3.28 -0.74 2.90 2.12 0.11 -2.28 118.70 121.35 1ud2 s GLU 261 Ca 0.36 -2.40 -0.13 0.00 0.36 0.00 0.00 54.97 53.16 1ud2 s GLU 261 Cb -0.12 -4.24 0.19 0.00 0.26 0.00 0.00 34.13 30.22 1ud2 s GLU 261 CO 0.28 -1.26 0.68 -0.47 -0.54 0.00 0.00 175.26 173.94 1ud2 s TYR 262 N 0.27 3.63 -0.83 5.30 6.14 -1.26 -2.83 117.35 127.77 1ud2 s TYR 262 Ca 0.16 -1.91 -0.25 0.00 0.64 0.00 0.00 57.07 55.70 1ud2 s TYR 262 Cb -0.15 -3.76 0.02 0.00 0.42 0.00 0.00 41.96 38.50 1ud2 s TYR 262 CO -0.06 -0.98 1.53 -0.46 0.64 0.00 0.00 175.55 176.21 1ud2 s TRP 263 N 0.46 2.18 -0.27 4.97 -0.11 -1.26 -4.81 118.94 120.10 1ud2 s TRP 263 Ca 0.15 -0.06 -0.17 0.00 1.22 0.00 0.00 56.10 57.24 1ud2 s TRP 263 Cb -0.15 -4.48 0.08 0.00 -1.50 0.00 0.00 33.47 27.42 1ud2 s TRP 263 CO -0.06 -2.03 0.67 0.21 -4.62 0.00 0.00 176.95 171.12 1ud2 s LYS 264 N 5.91 0.71 -1.53 5.86 2.20 -1.26 -5.04 119.74 126.58 1ud2 s LYS 264 Ca 0.49 1.15 -0.10 0.00 -0.36 0.00 0.00 55.97 57.15 1ud2 s LYS 264 Cb -0.06 0.18 -0.02 0.00 -1.51 0.00 0.00 37.83 36.42 1ud2 s LYS 264 CO 0.06 -0.14 2.71 -3.47 -0.36 0.00 0.00 175.35 174.15 1ud2 n ASP 265 N 3.99 7.80 -3.17 1.43 2.03 -1.26 -4.20 116.55 123.16 1ud2 n ASP 265 Ca -0.19 -2.74 0.02 0.00 0.52 0.00 0.00 54.79 52.40 1ud2 n ASP 265 Cb 0.58 -1.53 -0.01 0.00 -0.72 0.00 0.00 41.12 39.44 1ud2 n ASP 265 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ud2 s ASP 266 N 1.92 -1.33 0.47 1.67 -1.08 -1.26 -4.94 116.67 112.12 1ud2 s ASP 266 Ca 0.62 0.21 0.14 0.00 -0.52 0.00 0.00 52.55 53.00 1ud2 s ASP 266 Cb 0.17 1.93 1.10 0.00 -1.46 0.00 0.00 42.92 44.65 1ud2 s ASP 266 CO -0.07 -0.30 2.06 1.62 0.52 0.00 0.00 175.17 179.00 1ud2 h VAL 267 N 6.02 1.07 -0.61 1.11 3.04 -1.82 -2.22 116.25 122.85 1ud2 h VAL 267 Ca -0.05 -0.32 -0.06 0.00 -1.01 0.00 0.00 66.70 65.26 1ud2 h VAL 267 Cb 1.18 1.11 -0.03 0.00 -2.01 0.00 0.00 31.29 31.54 1ud2 h VAL 267 CO 0.18 0.10 0.14 1.23 -1.01 0.00 0.00 177.57 178.21 1ud2 h GLY 268 N 0.31 1.02 1.10 3.17 0.00 -1.96 0.17 103.07 106.88 1ud2 h GLY 268 Ca 0.01 -0.61 -0.08 0.00 0.00 0.00 0.00 47.33 46.65 1ud2 h GLY 268 CO 0.01 0.57 0.08 0.00 0.00 0.00 0.00 176.54 177.21 1ud2 h ALA 269 N 1.24 0.91 -0.46 3.60 0.00 -1.81 0.57 119.26 123.31 1ud2 h ALA 269 Ca 0.19 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1ud2 h ALA 269 Cb 0.34 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ud2 h ALA 269 CO 0.00 0.67 -0.24 -0.07 0.00 0.00 0.00 179.25 179.61 1ud2 h LEU 270 N 1.02 1.00 -0.80 0.00 4.07 -1.17 -1.94 115.31 117.48 1ud2 h LEU 270 Ca 0.20 -0.41 -0.08 0.00 0.08 0.00 0.00 57.88 57.67 1ud2 h LEU 270 Cb 0.47 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.91 1ud2 h LEU 270 CO 0.02 1.19 0.05 -0.33 -1.08 0.00 0.00 178.44 178.29 1ud2 h GLU 271 N 0.81 0.95 -0.18 1.13 5.08 -0.42 -0.88 114.58 121.06 1ud2 h GLU 271 Ca 0.10 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1ud2 h GLU 271 Cb 0.82 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1ud2 h GLU 271 CO 0.07 0.91 0.01 0.35 -1.00 0.00 0.00 179.01 179.35 1ud2 h PHE 272 N 0.89 0.02 -0.88 4.33 3.57 -0.68 0.02 116.94 124.21 1ud2 h PHE 272 Ca 0.17 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1ud2 h PHE 272 Cb 0.45 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 1ud2 h PHE 272 CO 0.03 -0.01 0.53 -0.92 -2.23 0.00 0.00 178.31 175.71 1ud2 h TYR 273 N 0.08 1.16 -0.15 0.41 3.20 -0.96 -1.88 116.97 118.83 1ud2 h TYR 273 Ca 0.09 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 1ud2 h TYR 273 Cb 0.09 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 1ud2 h TYR 273 CO -0.16 0.77 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.74 1ud2 h LEU 274 N 1.21 0.30 -0.15 2.82 3.38 -0.63 -1.08 115.31 121.16 1ud2 h LEU 274 Ca 0.31 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ud2 h LEU 274 Cb -0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1ud2 h LEU 274 CO -0.06 0.62 0.09 0.44 0.09 0.00 0.00 178.44 179.62 1ud2 h ASP 275 N 0.26 0.19 0.07 -0.43 3.32 -0.42 0.17 116.42 119.58 1ud2 h ASP 275 Ca 0.03 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1ud2 h ASP 275 Cb 0.71 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 1ud2 h ASP 275 CO 0.05 0.21 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.41 1ud2 h GLU 276 N 0.16 0.00 -0.02 3.56 4.39 -0.85 -0.10 114.58 121.72 1ud2 h GLU 276 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1ud2 h GLU 276 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1ud2 h GLU 276 CO -0.01 0.04 0.00 -1.33 -1.16 0.00 0.00 179.01 176.55 1ud2 n MET 277 N -4.07 1.66 -2.76 2.33 2.81 -0.45 -4.90 117.12 111.74 1ud2 n MET 277 Ca -0.03 -0.97 -0.21 0.00 -1.81 0.00 0.00 57.70 54.68 1ud2 n MET 277 Cb 0.12 -1.48 0.01 0.00 -0.71 0.00 0.00 33.22 31.17 1ud2 n MET 277 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1ud2 n ASN 278 N 0.18 -5.76 -3.57 7.83 5.15 -0.05 -2.30 115.26 116.74 1ud2 n ASN 278 Ca 0.19 -0.16 -0.27 0.00 -0.60 0.00 0.00 54.58 53.75 1ud2 n ASN 278 Cb 0.35 -4.73 0.01 0.00 -0.53 0.00 0.00 39.78 34.88 1ud2 n ASN 278 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1ud2 n TRP 279 N -4.21 -1.94 0.18 1.20 7.02 0.50 -4.87 117.44 115.31 1ud2 n TRP 279 Ca -0.16 0.63 0.05 0.00 -1.02 0.00 0.00 57.50 56.99 1ud2 n TRP 279 Cb 0.64 -3.38 0.21 0.00 -2.42 0.00 0.00 31.31 26.36 1ud2 n TRP 279 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1ud2 n GLU 280 N -4.09 2.79 -3.85 -0.99 1.02 -0.97 -4.91 120.64 109.64 1ud2 n GLU 280 Ca 0.00 -1.68 -0.08 0.00 -0.02 0.00 0.00 57.16 55.38 1ud2 n GLU 280 Cb 0.54 -1.73 -0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1ud2 n GLU 280 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ud2 s MET 281 N -1.81 1.97 0.35 3.49 0.23 -1.26 -4.81 119.30 117.46 1ud2 s MET 281 Ca 0.30 -1.21 0.08 0.00 -1.03 0.00 0.00 55.69 53.82 1ud2 s MET 281 Cb 0.20 0.60 -0.04 0.00 -1.53 0.00 0.00 34.83 34.07 1ud2 s MET 281 CO 0.12 -0.90 0.20 -1.12 -2.03 0.00 0.00 175.02 171.29 1ud2 s SER 282 N -3.00 4.83 0.05 -1.18 0.01 -0.07 -4.87 113.70 109.48 1ud2 s SER 282 Ca 0.14 -0.73 0.05 0.00 1.31 0.00 0.00 55.95 56.72 1ud2 s SER 282 Cb -0.05 -0.76 -0.02 0.00 0.21 0.00 0.00 66.02 65.40 1ud2 s SER 282 CO 0.09 -0.36 -0.13 -0.76 0.41 0.00 0.00 173.24 172.49 1ud2 s LEU 283 N -3.91 2.21 0.39 2.44 1.43 0.17 -0.96 118.68 120.45 1ud2 s LEU 283 Ca 0.39 -0.51 -0.27 0.00 -1.03 0.00 0.00 54.13 52.72 1ud2 s LEU 283 Cb -0.03 -0.53 -0.10 0.00 0.03 0.00 0.00 46.19 45.56 1ud2 s LEU 283 CO 0.24 -0.02 1.38 -0.36 0.23 0.00 0.00 176.35 177.82 1ud2 s PHE 284 N -1.01 2.75 -1.37 0.29 0.08 -0.97 -1.07 117.98 116.69 1ud2 s PHE 284 Ca -0.00 1.32 -0.15 0.00 0.12 0.00 0.00 56.93 58.21 1ud2 s PHE 284 Cb -0.09 -3.82 0.07 0.00 -0.57 0.00 0.00 43.02 38.62 1ud2 s PHE 284 CO 0.01 -2.43 1.97 -3.47 -0.10 0.00 0.00 175.22 171.20 1ud2 n ASP 285 N 0.34 4.47 -0.35 1.36 -0.08 0.56 -4.78 116.55 118.07 1ud2 n ASP 285 Ca 0.02 -2.91 -0.01 0.00 -1.51 0.00 0.00 54.79 50.39 1ud2 n ASP 285 Cb 0.42 -1.67 0.14 0.00 2.34 0.00 0.00 41.12 42.35 1ud2 n ASP 285 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1ud2 h VAL 286 N 4.56 1.23 -0.87 5.18 2.07 -1.87 -1.77 116.25 124.78 1ud2 h VAL 286 Ca 0.49 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1ud2 h VAL 286 Cb 0.74 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 1ud2 h VAL 286 CO 1.67 0.23 0.46 -0.65 0.02 0.00 0.00 177.57 179.30 1ud2 h PRO 287 N 1.28 1.22 -0.56 1.57 0.11 -1.87 -1.51 132.00 132.25 1ud2 h PRO 287 Ca 0.36 -0.15 -0.05 0.00 0.11 0.00 0.00 66.00 66.27 1ud2 h PRO 287 Cb -0.11 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 30.74 1ud2 h PRO 287 CO -0.09 0.90 0.16 1.25 -0.21 0.00 0.00 178.00 180.02 1ud2 h LEU 288 N 1.22 0.78 -0.24 2.35 5.85 -1.72 0.83 115.31 124.38 1ud2 h LEU 288 Ca 0.30 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1ud2 h LEU 288 Cb 0.05 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1ud2 h LEU 288 CO -0.05 0.75 0.00 -1.13 -0.34 0.00 0.00 178.44 177.67 1ud2 h ASN 289 N 0.81 -0.09 0.72 1.25 -1.24 -0.45 -0.33 115.58 116.25 1ud2 h ASN 289 Ca 0.18 0.05 -0.05 0.00 0.71 0.00 0.00 56.30 57.20 1ud2 h ASN 289 Cb 0.26 0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.40 1ud2 h ASN 289 CO -0.01 -0.02 -0.23 1.88 -1.29 0.00 0.00 177.43 177.76 1ud2 h TYR 290 N 0.07 0.00 -0.10 0.67 0.05 -0.63 -0.96 116.97 116.08 1ud2 h TYR 290 Ca 0.11 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 1ud2 h TYR 290 Cb 0.14 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.88 1ud2 h TYR 290 CO -0.19 0.23 -0.02 -0.91 -1.05 0.00 0.00 178.16 176.22 1ud2 h ASN 291 N 0.00 0.19 -0.76 3.88 2.35 0.18 0.53 115.58 121.95 1ud2 h ASN 291 Ca -0.00 -0.37 0.03 0.00 -0.55 0.00 0.00 56.30 55.42 1ud2 h ASN 291 Cb 0.65 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.92 1ud2 h ASN 291 CO 0.03 0.51 0.48 -0.26 -1.65 0.00 0.00 177.43 176.54 1ud2 h PHE 292 N -0.13 0.89 -0.27 1.19 0.04 -0.77 -1.27 116.94 116.62 1ud2 h PHE 292 Ca 0.03 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 1ud2 h PHE 292 Cb 0.43 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1ud2 h PHE 292 CO 0.05 0.50 0.08 -0.92 -0.60 0.00 0.00 178.31 177.43 1ud2 h TYR 293 N 0.93 0.44 -1.00 -0.55 3.20 -1.02 0.40 116.97 119.36 1ud2 h TYR 293 Ca 0.31 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.15 1ud2 h TYR 293 Cb 0.03 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.12 1ud2 h TYR 293 CO -0.04 0.47 0.66 0.00 -1.64 0.00 0.00 178.16 177.62 1ud2 h ARG 294 N 0.28 1.29 -0.30 1.82 3.08 -0.55 0.56 114.38 120.56 1ud2 h ARG 294 Ca 0.09 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 1ud2 h ARG 294 Cb 0.24 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1ud2 h ARG 294 CO -0.00 0.86 -0.04 0.00 -1.07 0.00 0.00 179.97 179.71 1ud2 h ALA 295 N 1.38 0.41 -0.74 0.04 0.00 -0.96 -0.44 119.26 118.95 1ud2 h ALA 295 Ca 0.38 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ud2 h ALA 295 Cb -0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1ud2 h ALA 295 CO -0.09 0.21 0.49 1.03 0.00 0.00 0.00 179.25 180.88 1ud2 h SER 296 N 0.34 0.83 -0.27 0.00 0.87 -0.44 -1.89 113.55 113.00 1ud2 h SER 296 Ca 0.08 -0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 60.44 1ud2 h SER 296 Cb 0.51 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1ud2 h SER 296 CO 0.02 0.60 -0.53 1.56 -0.53 0.00 0.00 176.83 177.96 1ud2 h GLN 297 N 0.99 0.82 0.06 2.24 1.08 -0.76 -3.34 115.11 116.20 1ud2 h GLN 297 Ca 0.27 -0.53 -0.24 0.00 -1.45 0.00 0.00 58.65 56.70 1ud2 h GLN 297 Cb -0.10 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1ud2 h GLN 297 CO -0.07 1.16 -1.06 0.37 -0.95 0.00 0.00 178.83 178.28 1ud2 h GLN 298 N 0.59 0.24 0.00 1.46 4.15 -0.99 -3.50 115.11 117.05 1ud2 h GLN 298 Ca 0.01 -0.33 0.00 0.00 0.77 0.00 0.00 58.65 59.10 1ud2 h GLN 298 Cb 1.14 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1ud2 h GLN 298 CO 0.12 1.10 0.00 0.41 -1.93 0.00 0.00 178.83 178.53 1ud2 n GLY 299 N 1.24 -1.78 0.36 2.39 0.00 -0.72 -4.40 105.19 102.28 1ud2 n GLY 299 Ca -0.06 -1.75 0.19 0.00 0.00 0.00 0.00 46.02 44.41 1ud2 n GLY 299 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ud2 h GLY 300 N 0.00 0.00 2.00 -0.02 0.00 -1.83 -1.60 103.07 101.62 1ud2 h GLY 300 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ud2 h GLY 300 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 176.54 178.02 1ud2 h SER 301 N 0.00 0.00 -2.93 0.19 4.64 -1.85 -3.43 113.55 110.16 1ud2 h SER 301 Ca 0.14 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.93 1ud2 h SER 301 Cb 0.83 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.94 1ud2 h SER 301 CO -0.00 0.00 0.78 -0.47 -0.87 0.00 0.00 176.83 176.27 1ud2 s TYR 302 N -3.68 3.15 -0.60 4.77 5.04 -0.61 -4.93 117.35 120.49 1ud2 s TYR 302 Ca -0.01 0.83 -0.28 0.00 -2.44 0.00 0.00 57.07 55.17 1ud2 s TYR 302 Cb 0.09 -3.76 0.02 0.00 0.35 0.00 0.00 41.96 38.66 1ud2 s TYR 302 CO 0.33 -2.74 1.36 0.34 -1.34 0.00 0.00 175.55 173.50 1ud2 s ASP 303 N 1.20 6.17 0.59 4.32 -1.08 -1.26 -4.78 116.67 121.82 1ud2 s ASP 303 Ca 0.66 0.12 0.36 0.00 -0.52 0.00 0.00 52.55 53.17 1ud2 s ASP 303 Cb -0.39 -2.55 1.95 0.00 -1.46 0.00 0.00 42.92 40.48 1ud2 s ASP 303 CO 0.30 -1.71 2.10 0.24 0.52 0.00 0.00 175.17 176.62 1ud2 h MET 304 N 10.70 0.00 0.00 4.34 2.86 -1.18 -1.61 114.93 130.03 1ud2 h MET 304 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1ud2 h MET 304 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1ud2 h MET 304 CO 1.20 0.00 0.00 0.00 1.06 0.00 0.00 176.91 179.17 1ud2 h ARG 305 N 0.00 0.00 -0.37 1.72 3.08 -1.80 -2.30 114.38 114.71 1ud2 h ARG 305 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ud2 h ARG 305 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1ud2 h ARG 305 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 1ud2 n ASN 306 N -3.07 3.25 -0.26 7.04 5.03 -0.61 -4.61 115.26 122.03 1ud2 n ASN 306 Ca -0.01 -1.93 0.18 0.00 0.87 0.00 0.00 54.58 53.69 1ud2 n ASN 306 Cb 0.20 -0.24 0.47 0.00 -1.02 0.00 0.00 39.78 39.19 1ud2 n ASN 306 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 1ud2 h ILE 307 N 3.76 0.69 -0.02 2.41 6.09 -1.53 -0.48 117.51 128.44 1ud2 h ILE 307 Ca 0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 1ud2 h ILE 307 Cb 0.88 0.17 0.00 0.00 0.47 0.00 0.00 36.82 38.34 1ud2 h ILE 307 CO 0.00 0.09 -0.41 0.18 -3.07 0.00 0.00 178.15 174.94 1ud2 n LEU 308 N -4.55 2.09 -4.71 2.19 4.77 -1.26 -4.76 117.00 110.76 1ud2 n LEU 308 Ca 0.20 -0.76 -0.42 0.00 -0.03 0.00 0.00 56.01 55.00 1ud2 n LEU 308 Cb 0.66 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 1ud2 n LEU 308 CO 0.29 0.38 1.18 -0.60 -1.33 0.00 0.00 177.39 177.31 1ud2 s ARG 309 N -2.42 4.25 0.00 3.23 3.52 -0.19 -2.06 118.95 125.28 1ud2 s ARG 309 Ca 0.20 2.24 0.00 0.00 -0.13 0.00 0.00 55.73 58.04 1ud2 s ARG 309 Cb 0.18 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 30.32 1ud2 s ARG 309 CO 0.54 -0.56 0.00 0.41 -0.81 0.00 0.00 175.30 174.88 1ud2 n GLY 310 N 3.69 1.15 3.86 8.12 0.00 -1.26 -4.99 105.19 115.76 1ud2 n GLY 310 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1ud2 n GLY 310 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ud2 s SER 311 N -3.09 5.86 0.06 1.61 1.04 -0.87 -4.24 113.70 114.06 1ud2 s SER 311 Ca 0.00 1.39 -0.14 0.00 0.48 0.00 0.00 55.95 57.68 1ud2 s SER 311 Cb 0.00 -2.35 -0.27 0.00 0.10 0.00 0.00 66.02 63.50 1ud2 s SER 311 CO 0.00 -1.11 1.13 0.25 0.98 0.00 0.00 173.24 174.50 1ud2 h LEU 312 N -0.49 0.89 -1.62 2.42 5.85 -1.90 -3.26 115.31 117.19 1ud2 h LEU 312 Ca -0.44 -0.78 0.02 0.00 0.84 0.00 0.00 57.88 57.52 1ud2 h LEU 312 Cb 1.21 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 1ud2 h LEU 312 CO 0.61 1.58 0.29 1.62 -0.34 0.00 0.00 178.44 182.21 1ud2 h VAL 313 N 0.31 1.05 -0.60 1.05 3.04 -1.93 0.28 116.25 119.47 1ud2 h VAL 313 Ca -0.17 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1ud2 h VAL 313 Cb 1.85 0.51 -0.03 0.00 -2.01 0.00 0.00 31.29 31.61 1ud2 h VAL 313 CO 0.23 0.09 0.37 -0.08 -1.01 0.00 0.00 177.57 177.17 1ud2 h GLU 314 N 0.50 0.80 0.08 4.17 4.81 -1.80 -2.55 114.58 120.59 1ud2 h GLU 314 Ca 0.17 -0.06 -0.35 0.00 -0.13 0.00 0.00 59.36 58.99 1ud2 h GLU 314 Cb 0.07 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1ud2 h GLU 314 CO -0.04 0.56 -1.96 0.00 -0.73 0.00 0.00 179.01 176.83 1ud2 n ALA 315 N -2.28 1.08 -3.20 2.92 0.00 -0.78 -4.70 120.51 113.54 1ud2 n ALA 315 Ca 0.04 -0.68 -0.23 0.00 0.00 0.00 0.00 53.44 52.57 1ud2 n ALA 315 Cb 0.04 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 1ud2 n ALA 315 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ud2 n HIS 316 N -3.34 0.17 -0.26 0.00 8.25 0.93 -4.97 115.22 115.99 1ud2 n HIS 316 Ca -0.29 -3.67 0.30 0.00 -0.26 0.00 0.00 57.72 53.79 1ud2 n HIS 316 Cb 1.05 -0.38 0.69 0.00 1.12 0.00 0.00 29.99 32.46 1ud2 n HIS 316 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ud2 h PRO 317 N 3.79 0.09 0.00 -0.41 0.13 -1.59 0.73 132.00 134.73 1ud2 h PRO 317 Ca 0.09 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1ud2 h PRO 317 Cb 0.87 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1ud2 h PRO 317 CO 0.51 0.06 0.00 1.98 -0.23 0.00 0.00 178.00 180.32 1ud2 h MET 318 N 0.09 0.00 -0.03 0.86 4.05 -1.93 -1.61 114.93 116.37 1ud2 h MET 318 Ca 0.51 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.93 1ud2 h MET 318 Cb 1.86 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.66 1ud2 h MET 318 CO -0.07 0.00 0.00 0.72 0.23 0.00 0.00 176.91 177.79 1ud2 n HIS 319 N -2.39 0.09 -5.01 1.39 8.25 0.24 -4.91 115.22 112.89 1ud2 n HIS 319 Ca 0.04 -0.92 -0.32 0.00 -0.26 0.00 0.00 57.72 56.25 1ud2 n HIS 319 Cb 0.35 -0.15 -0.16 0.00 1.12 0.00 0.00 29.99 31.15 1ud2 n HIS 319 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ud2 s ALA 320 N -2.62 2.40 -0.35 -1.41 0.00 -1.14 -0.65 121.76 118.00 1ud2 s ALA 320 Ca 0.29 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 51.21 1ud2 s ALA 320 Cb 0.25 -0.99 0.02 0.00 0.00 0.00 0.00 23.12 22.41 1ud2 s ALA 320 CO 0.03 0.30 0.17 0.08 0.00 0.00 0.00 175.76 176.35 1ud2 s VAL 321 N 0.22 4.40 0.15 0.00 1.01 -0.23 -1.06 120.40 124.90 1ud2 s VAL 321 Ca -0.12 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 60.89 1ud2 s VAL 321 Cb -0.16 -3.41 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 1ud2 s VAL 321 CO 0.06 -0.15 0.59 0.42 0.00 0.00 0.00 175.10 176.02 1ud2 s THR 322 N 1.54 4.79 0.19 3.92 -4.23 -0.64 -0.32 115.64 120.88 1ud2 s THR 322 Ca 0.02 0.96 -0.19 0.00 -1.18 0.00 0.00 61.69 61.29 1ud2 s THR 322 Cb -0.19 -3.77 0.04 0.00 1.34 0.00 0.00 72.50 69.92 1ud2 s THR 322 CO 0.06 0.27 0.56 0.72 -0.54 0.00 0.00 174.62 175.68 1ud2 s PHE 323 N -1.44 -0.25 -0.19 3.99 -0.71 -1.26 -0.05 117.98 118.08 1ud2 s PHE 323 Ca 0.38 -0.07 0.05 0.00 -1.04 0.00 0.00 56.93 56.25 1ud2 s PHE 323 Cb -0.16 0.47 -0.15 0.00 -1.21 0.00 0.00 43.02 41.97 1ud2 s PHE 323 CO 0.19 -0.93 -0.10 0.28 -1.34 0.00 0.00 175.22 173.32 1ud2 n VAL 324 N -0.36 1.13 -3.54 -2.49 0.31 -1.26 -4.51 118.33 107.61 1ud2 n VAL 324 Ca -0.12 -0.51 -0.10 0.00 -0.01 0.00 0.00 64.34 63.60 1ud2 n VAL 324 Cb 0.63 -1.01 -0.02 0.00 -0.91 0.00 0.00 33.84 32.53 1ud2 n VAL 324 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1ud2 s ASP 325 N -5.62 -0.47 0.08 4.52 1.01 -1.26 -4.62 116.67 110.30 1ud2 s ASP 325 Ca -0.21 -0.15 -0.00 0.00 0.71 0.00 0.00 52.55 52.90 1ud2 s ASP 325 Cb 0.06 0.61 0.00 0.00 1.01 0.00 0.00 42.92 44.61 1ud2 s ASP 325 CO 0.52 -1.03 0.10 -0.46 0.21 0.00 0.00 175.17 174.51 1ud2 n ASN 326 N -0.39 -0.29 0.31 0.27 0.23 -1.26 -4.59 115.26 109.55 1ud2 n ASN 326 Ca -0.13 -1.42 0.20 0.00 -0.53 0.00 0.00 54.58 52.70 1ud2 n ASN 326 Cb 0.63 0.54 1.03 0.00 -2.08 0.00 0.00 39.78 39.91 1ud2 n ASN 326 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 1ud2 h HIS 327 N 1.22 0.00 0.00 -2.53 2.07 -1.96 -2.31 115.15 111.64 1ud2 h HIS 327 Ca -0.06 0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 57.22 1ud2 h HIS 327 Cb 0.26 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.20 1ud2 h HIS 327 CO 0.00 0.01 -1.49 -0.44 -3.07 0.00 0.00 177.93 172.95 1ud2 h ASP 328 N 0.00 0.00 0.25 3.10 3.32 -1.96 -3.37 116.42 117.76 1ud2 h ASP 328 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ud2 h ASP 328 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1ud2 h ASP 328 CO 0.00 0.85 -0.66 0.35 -1.72 0.00 0.00 179.24 178.06 1ud2 n THR 329 N -3.04 0.00 -1.22 0.35 -2.24 -0.97 -0.79 114.28 106.37 1ud2 n THR 329 Ca -0.12 -0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.31 1ud2 n THR 329 Cb 0.96 0.62 0.10 0.00 -2.10 0.00 0.00 70.33 69.91 1ud2 n THR 329 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ud2 s GLN 330 N -2.91 2.03 0.14 -0.78 -2.07 -0.91 -2.05 119.66 113.12 1ud2 s GLN 330 Ca 0.12 1.35 -0.34 0.00 -1.82 0.00 0.00 55.36 54.67 1ud2 s GLN 330 Cb 0.17 -1.86 -0.17 0.00 -1.09 0.00 0.00 33.01 30.07 1ud2 s GLN 330 CO 0.73 -1.84 1.09 -2.30 -1.32 0.00 0.00 175.29 171.65 1ud2 n PRO 331 N -3.44 0.84 0.00 9.60 -0.02 -1.26 -2.14 135.00 138.57 1ud2 n PRO 331 Ca 0.10 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1ud2 n PRO 331 Cb 0.52 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1ud2 n PRO 331 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ud2 n GLY 332 N 1.96 2.59 3.95 -1.23 0.00 -1.26 -5.03 105.19 106.16 1ud2 n GLY 332 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1ud2 n GLY 332 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ud2 s GLU 333 N -0.15 2.49 0.43 1.61 0.41 -0.91 -5.00 118.70 117.57 1ud2 s GLU 333 Ca 0.00 -0.46 0.16 0.00 -0.41 0.00 0.00 54.97 54.26 1ud2 s GLU 333 Cb 0.00 -2.34 1.06 0.00 -1.78 0.00 0.00 34.13 31.07 1ud2 s GLU 333 CO 0.00 -0.89 1.94 0.66 -0.49 0.00 0.00 175.26 176.48 1ud2 h SER 334 N -0.20 0.37 -0.61 -0.19 4.64 -1.89 -2.54 113.55 113.13 1ud2 h SER 334 Ca -0.44 0.02 -0.41 0.00 -0.47 0.00 0.00 61.79 60.49 1ud2 h SER 334 Cb 1.30 -0.06 -0.27 0.00 -0.31 0.00 0.00 62.40 63.06 1ud2 h SER 334 CO 0.57 0.20 -0.28 0.18 -0.87 0.00 0.00 176.83 176.63 1ud2 n LEU 335 N -4.47 4.98 -4.65 5.97 4.77 0.03 -5.05 117.00 118.59 1ud2 n LEU 335 Ca 0.13 -4.31 -0.55 0.00 -0.03 0.00 0.00 56.01 51.26 1ud2 n LEU 335 Cb 0.50 -0.56 -0.07 0.00 -2.33 0.00 0.00 43.42 40.96 1ud2 n LEU 335 CO 0.33 1.69 1.13 1.21 -1.33 0.00 0.00 177.39 180.42 1ud2 n GLU 336 N -0.91 1.18 -2.69 3.23 2.13 -0.96 -3.87 120.64 118.75 1ud2 n GLU 336 Ca 0.42 0.43 -0.06 0.00 0.66 0.00 0.00 57.16 58.61 1ud2 n GLU 336 Cb 0.92 -2.10 0.08 0.00 0.27 0.00 0.00 31.44 30.61 1ud2 n GLU 336 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1ud2 n SER 337 N 4.02 -1.76 -4.72 4.31 3.41 -0.87 -4.97 113.62 113.04 1ud2 n SER 337 Ca 0.22 -2.52 -0.42 0.00 -0.26 0.00 0.00 58.87 55.89 1ud2 n SER 337 Cb 0.16 1.26 -0.03 0.00 -0.26 0.00 0.00 64.21 65.35 1ud2 n SER 337 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1ud2 s TRP 338 N 0.16 3.27 -0.28 7.33 -0.11 -1.06 -4.72 118.94 123.54 1ud2 s TRP 338 Ca 0.18 1.03 -0.20 0.00 1.22 0.00 0.00 56.10 58.34 1ud2 s TRP 338 Cb 0.29 -3.64 -0.02 0.00 -1.50 0.00 0.00 33.47 28.61 1ud2 s TRP 338 CO -0.08 -2.17 0.59 0.08 -4.62 0.00 0.00 176.95 170.76 1ud2 s VAL 339 N 0.97 4.99 0.92 5.86 1.01 -1.26 -4.91 120.40 127.98 1ud2 s VAL 339 Ca 0.63 0.92 -0.10 0.00 0.00 0.00 0.00 61.98 63.43 1ud2 s VAL 339 Cb -0.36 -3.93 0.14 0.00 0.00 0.00 0.00 36.38 32.23 1ud2 s VAL 339 CO 0.31 -0.03 1.10 0.00 0.00 0.00 0.00 175.10 176.48 1ud2 n ALA 340 N 5.73 -0.92 -0.35 5.51 0.00 -1.26 -4.65 120.51 124.57 1ud2 n ALA 340 Ca -0.02 -0.56 0.11 0.00 0.00 0.00 0.00 53.44 52.97 1ud2 n ALA 340 Cb 0.49 -2.18 0.30 0.00 0.00 0.00 0.00 19.45 18.06 1ud2 n ALA 340 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ud2 h ASP 341 N -1.88 0.82 -0.66 0.00 3.45 -2.00 -1.17 116.42 114.99 1ud2 h ASP 341 Ca -0.43 0.07 -0.06 0.00 0.43 0.00 0.00 57.03 57.04 1ud2 h ASP 341 Cb 1.27 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 39.93 1ud2 h ASP 341 CO 0.41 0.37 0.18 4.11 -1.57 0.00 0.00 179.24 182.73 1ud2 h TRP 342 N 0.84 1.10 0.00 4.55 5.08 -1.96 -3.17 115.95 122.39 1ud2 h TRP 342 Ca 0.53 -0.12 0.00 0.00 1.08 0.00 0.00 58.89 60.38 1ud2 h TRP 342 Cb 0.72 -0.31 0.00 0.00 -3.00 0.00 0.00 29.16 26.57 1ud2 h TRP 342 CO -0.00 0.90 -0.87 0.35 -1.28 0.00 0.00 178.44 177.54 1ud2 h PHE 343 N 0.98 0.00 -0.93 0.12 3.57 -1.84 -3.39 116.94 115.45 1ud2 h PHE 343 Ca 0.21 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.85 1ud2 h PHE 343 Cb 0.34 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.99 1ud2 h PHE 343 CO 0.03 0.00 0.54 -0.22 -2.23 0.00 0.00 178.31 176.43 1ud2 h LYS 344 N 0.00 0.78 -0.55 1.11 3.64 -1.18 -1.13 116.57 119.24 1ud2 h LYS 344 Ca 0.00 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1ud2 h LYS 344 Cb 0.96 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.57 1ud2 h LYS 344 CO 0.00 0.52 0.17 -1.35 -2.27 0.00 0.00 179.45 176.52 1ud2 h PRO 345 N 0.81 0.82 -0.46 1.90 0.11 -1.75 -0.98 132.00 132.45 1ud2 h PRO 345 Ca 0.48 -0.15 -0.13 0.00 0.11 0.00 0.00 66.00 66.32 1ud2 h PRO 345 Cb 0.59 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 1ud2 h PRO 345 CO -0.31 0.71 -0.22 -0.07 -0.21 0.00 0.00 178.00 177.90 1ud2 h LEU 346 N 0.80 0.97 -0.40 2.35 4.07 -1.50 -1.85 115.31 119.74 1ud2 h LEU 346 Ca 0.18 -0.36 -0.06 0.00 0.08 0.00 0.00 57.88 57.72 1ud2 h LEU 346 Cb 0.23 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 1ud2 h LEU 346 CO -0.01 1.14 0.03 0.00 -1.08 0.00 0.00 178.44 178.52 1ud2 h ALA 347 N 0.93 0.54 -0.48 1.53 0.00 -0.88 -2.11 119.26 118.78 1ud2 h ALA 347 Ca 0.11 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1ud2 h ALA 347 Cb 0.78 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1ud2 h ALA 347 CO 0.06 0.29 -0.10 1.88 0.00 0.00 0.00 179.25 181.38 1ud2 h TYR 348 N 0.53 0.98 -0.85 0.00 0.05 -1.12 -2.60 116.97 113.95 1ud2 h TYR 348 Ca 0.12 -0.19 -0.03 0.00 0.05 0.00 0.00 58.73 58.68 1ud2 h TYR 348 Cb 0.43 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 37.88 1ud2 h TYR 348 CO 0.03 0.93 0.42 0.00 -1.05 0.00 0.00 178.16 178.49 1ud2 h ALA 349 N 1.08 1.10 -0.97 3.88 0.00 -1.24 0.72 119.26 123.83 1ud2 h ALA 349 Ca 0.13 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ud2 h ALA 349 Cb 0.62 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1ud2 h ALA 349 CO 0.04 0.66 0.63 1.15 0.00 0.00 0.00 179.25 181.74 1ud2 h THR 350 N 1.21 1.25 0.00 0.00 2.02 -1.07 -0.70 112.91 115.62 1ud2 h THR 350 Ca 0.29 -0.46 -0.13 0.00 0.77 0.00 0.00 66.41 66.88 1ud2 h THR 350 Cb 0.11 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.33 1ud2 h THR 350 CO -0.04 0.24 -1.25 0.16 0.37 0.00 0.00 175.52 175.00 1ud2 h ILE 351 N 1.31 0.44 0.00 3.11 3.07 -1.14 -3.35 117.51 120.96 1ud2 h ILE 351 Ca 0.35 -1.84 -0.28 0.00 1.55 0.00 0.00 64.86 64.64 1ud2 h ILE 351 Cb -0.14 1.98 -0.05 0.00 -0.27 0.00 0.00 36.82 38.34 1ud2 h ILE 351 CO -0.08 0.25 -1.73 0.18 -1.05 0.00 0.00 178.15 175.73 1ud2 n LEU 352 N -2.89 0.80 -0.96 0.16 4.77 0.22 -4.40 117.00 114.70 1ud2 n LEU 352 Ca -0.07 0.38 0.11 0.00 -0.03 0.00 0.00 56.01 56.40 1ud2 n LEU 352 Cb 0.78 0.19 0.15 0.00 -2.33 0.00 0.00 43.42 42.20 1ud2 n LEU 352 CO 0.42 0.37 0.63 0.35 -1.33 0.00 0.00 177.39 177.84 1ud2 n THR 353 N -3.00 0.29 -3.82 -5.08 -2.24 -0.28 -4.45 114.28 95.70 1ud2 n THR 353 Ca -0.17 -0.64 -0.26 0.00 -2.27 0.00 0.00 64.05 60.71 1ud2 n THR 353 Cb 1.04 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 70.41 1ud2 n THR 353 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ud2 s ARG 354 N -1.55 3.47 0.25 -0.78 0.52 -1.26 -4.91 118.95 114.70 1ud2 s ARG 354 Ca 0.30 -0.51 0.10 0.00 -0.52 0.00 0.00 55.73 55.11 1ud2 s ARG 354 Cb 0.19 -2.89 0.28 0.00 0.52 0.00 0.00 34.95 33.06 1ud2 s ARG 354 CO 0.28 0.44 1.57 1.05 0.02 0.00 0.00 175.30 178.65 1ud2 h GLU 355 N 1.86 0.00 -6.56 3.54 4.11 -1.93 -3.46 114.58 112.15 1ud2 h GLU 355 Ca -0.49 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.42 1ud2 h GLU 355 Cb 1.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1ud2 h GLU 355 CO 0.67 0.66 0.01 0.20 0.07 0.00 0.00 179.01 180.62 1ud2 s GLY 356 N -4.50 2.38 0.00 1.06 0.00 -1.26 -4.96 107.32 100.04 1ud2 s GLY 356 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.66 1ud2 s GLY 356 CO 0.77 0.17 0.00 0.61 0.00 0.00 0.00 173.10 174.64 1ud2 n GLY 357 N 0.04 -0.99 3.15 0.20 0.00 -0.61 -4.88 105.19 102.11 1ud2 n GLY 357 Ca 0.00 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.11 1ud2 n GLY 357 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ud2 s TYR 358 N -3.13 3.53 0.44 1.61 5.04 -0.23 -4.93 117.35 119.68 1ud2 s TYR 358 Ca 0.00 -2.24 -0.24 0.00 -2.44 0.00 0.00 57.07 52.15 1ud2 s TYR 358 Cb 0.00 -3.33 -0.08 0.00 0.35 0.00 0.00 41.96 38.91 1ud2 s TYR 358 CO 0.00 -0.97 1.19 -1.25 -1.34 0.00 0.00 175.55 173.17 1ud2 s PRO 359 N 1.14 3.84 -0.09 4.97 0.04 -1.26 -1.63 135.00 142.02 1ud2 s PRO 359 Ca 0.08 1.85 0.02 0.00 0.04 0.00 0.00 61.00 62.99 1ud2 s PRO 359 Cb -0.24 -2.52 0.01 0.00 0.04 0.00 0.00 34.50 31.80 1ud2 s PRO 359 CO -0.03 -0.50 -0.14 1.21 0.04 0.00 0.00 177.00 177.58 1ud2 s ASN 360 N -1.21 2.17 -0.06 6.66 2.47 0.93 -1.05 114.94 124.85 1ud2 s ASN 360 Ca 0.61 -0.37 -0.17 0.00 0.42 0.00 0.00 52.86 53.35 1ud2 s ASN 360 Cb -0.31 -0.97 -0.05 0.00 -1.45 0.00 0.00 41.25 38.47 1ud2 s ASN 360 CO 0.38 0.02 0.47 -0.69 -3.72 0.00 0.00 177.10 173.56 1ud2 s VAL 361 N 0.89 5.08 -0.14 -5.21 1.01 0.14 -4.50 120.40 117.67 1ud2 s VAL 361 Ca -0.09 0.97 -0.21 0.00 0.00 0.00 0.00 61.98 62.64 1ud2 s VAL 361 Cb -0.15 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1ud2 s VAL 361 CO 0.01 0.42 0.61 0.12 0.00 0.00 0.00 175.10 176.26 1ud2 s PHE 362 N -0.06 3.46 0.25 5.22 5.36 -1.26 -0.68 117.98 130.27 1ud2 s PHE 362 Ca 0.26 1.01 -0.03 0.00 -0.96 0.00 0.00 56.93 57.21 1ud2 s PHE 362 Cb -0.16 -2.74 0.51 0.00 -0.34 0.00 0.00 43.02 40.29 1ud2 s PHE 362 CO 0.12 -0.02 1.71 -0.92 -1.46 0.00 0.00 175.22 174.66 1ud2 h TYR 363 N 7.10 0.50 -0.39 10.12 5.03 -1.46 -0.05 116.97 137.81 1ud2 h TYR 363 Ca -0.36 0.04 0.06 0.00 2.58 0.00 0.00 58.73 61.05 1ud2 h TYR 363 Cb 1.17 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 39.33 1ud2 h TYR 363 CO 0.67 0.01 0.27 0.78 -1.32 0.00 0.00 178.16 178.57 1ud2 h GLY 364 N 0.41 0.33 0.89 1.82 0.00 -1.81 0.40 103.07 105.10 1ud2 h GLY 364 Ca 0.45 -0.11 -0.28 0.00 0.00 0.00 0.00 47.33 47.38 1ud2 h GLY 364 CO -0.45 0.08 -1.32 -0.55 0.00 0.00 0.00 176.54 174.30 1ud2 h ASP 365 N 0.27 0.60 -0.06 0.19 3.32 -1.34 0.17 116.42 119.57 1ud2 h ASP 365 Ca 0.17 -0.92 -0.00 0.00 0.02 0.00 0.00 57.03 56.30 1ud2 h ASP 365 Cb 0.35 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 1ud2 h ASP 365 CO -0.04 1.61 0.03 0.22 -1.72 0.00 0.00 179.24 179.35 1ud2 h TYR 366 N -0.11 0.08 -0.02 4.55 3.20 -0.71 0.48 116.97 124.44 1ud2 h TYR 366 Ca -0.25 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.62 1ud2 h TYR 366 Cb 1.92 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 40.17 1ud2 h TYR 366 CO 0.14 0.16 -0.05 0.66 -1.64 0.00 0.00 178.16 177.43 1ud2 n TYR 367 N -4.99 0.00 0.00 -3.82 4.01 0.08 -2.17 117.16 110.27 1ud2 n TYR 367 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1ud2 n TYR 367 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 1ud2 n TYR 367 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ud2 n GLY 368 N 0.95 -1.18 2.74 2.72 0.00 0.04 -4.29 105.19 106.17 1ud2 n GLY 368 Ca 0.09 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 1ud2 n GLY 368 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ud2 s ILE 369 N -2.11 1.58 0.30 -0.61 1.01 0.04 -4.59 121.20 116.82 1ud2 s ILE 369 Ca 0.00 -2.75 0.06 0.00 0.00 0.00 0.00 60.65 57.96 1ud2 s ILE 369 Cb 0.00 -2.10 0.29 0.00 0.01 0.00 0.00 42.46 40.66 1ud2 s ILE 369 CO 0.00 -0.91 1.74 -0.65 0.00 0.00 0.00 174.94 175.12 1ud2 h PRO 370 N 6.57 0.57 -0.66 2.79 0.11 -1.90 -1.19 132.00 138.29 1ud2 h PRO 370 Ca 0.01 -0.03 0.19 0.00 0.11 0.00 0.00 66.00 66.27 1ud2 h PRO 370 Cb 0.91 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.86 1ud2 h PRO 370 CO 0.52 0.38 0.47 -0.97 -0.21 0.00 0.00 178.00 178.18 1ud2 h ASN 371 N 0.59 0.03 -0.02 -2.05 -1.24 -1.94 -1.84 115.58 109.10 1ud2 h ASN 371 Ca 0.59 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.60 1ud2 h ASN 371 Cb 1.04 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.08 1ud2 h ASN 371 CO -0.45 0.01 0.00 0.47 -1.29 0.00 0.00 177.43 176.17 1ud2 n ASP 372 N -4.35 2.38 -3.40 1.15 8.00 -0.53 -4.99 116.55 114.80 1ud2 n ASP 372 Ca 0.13 -2.88 -0.24 0.00 0.71 0.00 0.00 54.79 52.51 1ud2 n ASP 372 Cb 0.71 -0.36 0.05 0.00 -0.02 0.00 0.00 41.12 41.51 1ud2 n ASP 372 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ud2 n ASN 373 N -1.19 -5.96 -4.58 -2.24 5.03 -0.69 -4.96 115.26 100.66 1ud2 n ASN 373 Ca 0.13 -0.46 -0.39 0.00 0.87 0.00 0.00 54.58 54.74 1ud2 n ASN 373 Cb 0.58 -4.76 -0.11 0.00 -1.02 0.00 0.00 39.78 34.48 1ud2 n ASN 373 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ud2 s ILE 374 N -3.24 5.29 0.68 2.41 1.01 -0.70 -4.99 121.20 121.66 1ud2 s ILE 374 Ca 0.48 0.16 -0.15 0.00 0.00 0.00 0.00 60.65 61.14 1ud2 s ILE 374 Cb -0.22 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.68 1ud2 s ILE 374 CO 0.59 0.20 1.13 -0.94 0.00 0.00 0.00 174.94 175.92 1ud2 s SER 375 N 1.74 4.84 0.14 3.58 1.04 -1.26 -0.78 113.70 123.00 1ud2 s SER 375 Ca 0.08 2.09 -0.30 0.00 0.48 0.00 0.00 55.95 58.30 1ud2 s SER 375 Cb -0.16 -2.56 -0.07 0.00 0.10 0.00 0.00 66.02 63.33 1ud2 s SER 375 CO 0.11 -1.82 1.12 0.00 0.98 0.00 0.00 173.24 173.63 1ud2 s ALA 376 N -2.26 3.37 -0.21 5.32 0.00 -1.26 -4.14 121.76 122.57 1ud2 s ALA 376 Ca 0.69 0.81 0.15 0.00 0.00 0.00 0.00 51.96 53.61 1ud2 s ALA 376 Cb -0.23 -3.37 0.68 0.00 0.00 0.00 0.00 23.12 20.20 1ud2 s ALA 376 CO 0.43 -0.27 1.59 1.63 0.00 0.00 0.00 175.76 179.14 1ud2 n LYS 377 N 2.79 3.87 -0.29 0.00 4.76 0.17 -4.72 118.16 124.73 1ud2 n LYS 377 Ca 0.04 -3.01 0.12 0.00 -2.87 0.00 0.00 58.31 52.59 1ud2 n LYS 377 Cb 0.46 -2.06 0.28 0.00 -1.84 0.00 0.00 35.03 31.88 1ud2 n LYS 377 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1ud2 h LYS 378 N 2.84 0.24 0.39 1.97 3.64 -1.59 -0.31 116.57 123.75 1ud2 h LYS 378 Ca 0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1ud2 h LYS 378 Cb 1.74 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.50 1ud2 h LYS 378 CO 0.37 0.16 -0.24 -0.44 -2.27 0.00 0.00 179.45 177.03 1ud2 h ASP 379 N 0.24 -0.60 -0.25 4.20 3.45 -1.89 0.70 116.42 122.27 1ud2 h ASP 379 Ca 0.54 0.04 -0.00 0.00 0.43 0.00 0.00 57.03 58.04 1ud2 h ASP 379 Cb 1.07 0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 40.01 1ud2 h ASP 379 CO -0.62 -0.39 0.15 -0.03 -1.57 0.00 0.00 179.24 176.78 1ud2 h MET 380 N -0.61 0.34 -0.61 3.56 4.05 -1.76 -2.91 114.93 116.99 1ud2 h MET 380 Ca -0.04 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.30 1ud2 h MET 380 Cb 0.50 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.20 1ud2 h MET 380 CO 0.04 0.27 0.22 0.82 0.23 0.00 0.00 176.91 178.49 1ud2 h ILE 381 N 0.31 1.24 -0.28 1.77 2.04 -0.99 -2.76 117.51 118.84 1ud2 h ILE 381 Ca 0.09 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.18 1ud2 h ILE 381 Cb 0.02 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1ud2 h ILE 381 CO -0.02 0.30 0.19 0.44 0.00 0.00 0.00 178.15 179.06 1ud2 h ASP 382 N 0.86 0.28 0.13 1.72 3.32 -0.76 0.15 116.42 122.13 1ud2 h ASP 382 Ca 0.20 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.08 1ud2 h ASP 382 Cb 0.25 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1ud2 h ASP 382 CO -0.01 0.20 -0.61 -0.33 -1.72 0.00 0.00 179.24 176.78 1ud2 h GLU 383 N 0.33 0.48 0.00 3.56 5.08 -1.30 0.14 114.58 122.87 1ud2 h GLU 383 Ca 0.11 -0.32 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 1ud2 h GLU 383 Cb 0.02 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1ud2 h GLU 383 CO -0.02 0.94 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.33 1ud2 h LEU 384 N 0.35 0.00 -0.24 1.33 3.38 -1.09 -1.65 115.31 117.39 1ud2 h LEU 384 Ca -0.01 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1ud2 h LEU 384 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1ud2 h LEU 384 CO 0.11 0.52 -0.90 -0.07 0.09 0.00 0.00 178.44 178.19 1ud2 h LEU 385 N 0.00 0.34 -0.48 1.67 3.38 -0.47 -0.53 115.31 119.22 1ud2 h LEU 385 Ca -0.01 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1ud2 h LEU 385 Cb 1.19 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1ud2 h LEU 385 CO 0.07 1.08 0.09 -0.78 0.09 0.00 0.00 178.44 178.99 1ud2 h ASP 386 N 0.14 0.75 -0.11 -0.43 3.58 -0.82 0.23 116.42 119.77 1ud2 h ASP 386 Ca -0.06 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.14 1ud2 h ASP 386 Cb 1.53 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.38 1ud2 h ASP 386 CO 0.14 0.81 0.07 0.00 -2.88 0.00 0.00 179.24 177.38 1ud2 h ALA 387 N 0.97 0.14 0.12 -0.78 0.00 -1.14 -0.17 119.26 118.40 1ud2 h ALA 387 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1ud2 h ALA 387 Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ud2 h ALA 387 CO 0.01 -0.34 -0.06 -0.09 0.00 0.00 0.00 179.25 178.76 1ud2 h ARG 388 N 0.12 -0.16 -0.75 0.00 2.43 -0.86 0.35 114.38 115.50 1ud2 h ARG 388 Ca 0.04 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1ud2 h ARG 388 Cb 0.03 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1ud2 h ARG 388 CO -0.01 0.04 0.31 0.37 -1.51 0.00 0.00 179.97 179.18 1ud2 h GLN 389 N -0.34 1.12 0.00 0.20 4.15 -0.51 -3.27 115.11 116.46 1ud2 h GLN 389 Ca -0.02 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1ud2 h GLN 389 Cb 0.28 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1ud2 h GLN 389 CO 0.03 0.91 -1.13 0.09 -1.93 0.00 0.00 178.83 176.80 1ud2 n ASN 390 N -4.33 1.97 0.00 -0.69 3.02 -0.08 -4.69 115.26 110.46 1ud2 n ASN 390 Ca 0.06 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1ud2 n ASN 390 Cb 0.17 1.31 0.00 0.00 -0.61 0.00 0.00 39.78 40.65 1ud2 n ASN 390 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ud2 n TYR 391 N -1.64 0.00 -1.69 3.10 4.01 0.88 -4.29 117.16 117.54 1ud2 n TYR 391 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 1ud2 n TYR 391 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.24 1ud2 n TYR 391 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ud2 n ALA 392 N -1.33 5.05 -2.22 -0.72 0.00 0.73 -0.31 120.51 121.70 1ud2 n ALA 392 Ca 0.00 -3.78 -0.10 0.00 0.00 0.00 0.00 53.44 49.56 1ud2 n ALA 392 Cb 0.12 -3.56 -0.10 0.00 0.00 0.00 0.00 19.45 15.91 1ud2 n ALA 392 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ud2 s TYR 393 N 3.62 0.84 0.00 0.00 2.02 -1.26 -4.95 117.35 117.62 1ud2 s TYR 393 Ca 0.49 -0.89 0.00 0.00 -0.37 0.00 0.00 57.07 56.30 1ud2 s TYR 393 Cb 0.13 -0.49 0.00 0.00 -0.40 0.00 0.00 41.96 41.20 1ud2 s TYR 393 CO -0.05 -0.16 0.00 0.41 -1.57 0.00 0.00 175.55 174.18 1ud2 n GLY 394 N 0.10 -0.84 3.62 0.71 0.00 -1.26 0.00 105.19 107.53 1ud2 n GLY 394 Ca -0.13 -1.69 -0.48 0.00 0.00 0.00 0.00 46.02 43.72 1ud2 n GLY 394 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ud2 n THR 395 N -0.85 0.61 -4.27 2.61 -1.04 -1.26 -4.44 114.28 105.63 1ud2 n THR 395 Ca 0.00 -0.15 -0.35 0.00 -2.04 0.00 0.00 64.05 61.51 1ud2 n THR 395 Cb 0.00 -1.15 -0.09 0.00 -1.82 0.00 0.00 70.33 67.27 1ud2 n THR 395 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1ud2 s GLN 396 N -0.03 3.01 -0.12 -2.82 0.74 -1.26 -0.85 119.66 118.34 1ud2 s GLN 396 Ca 0.74 -0.42 0.01 0.00 0.05 0.00 0.00 55.36 55.75 1ud2 s GLN 396 Cb -0.78 -2.83 0.02 0.00 1.10 0.00 0.00 33.01 30.52 1ud2 s GLN 396 CO 0.48 0.69 -0.13 -1.01 -0.55 0.00 0.00 175.29 174.78 1ud2 s HIS 397 N -0.97 1.86 -0.00 1.67 3.76 -0.37 -4.96 115.29 116.28 1ud2 s HIS 397 Ca 0.16 -0.92 -0.07 0.00 -0.15 0.00 0.00 55.06 54.07 1ud2 s HIS 397 Cb -0.11 -1.39 -0.05 0.00 1.11 0.00 0.00 32.58 32.14 1ud2 s HIS 397 CO 0.05 -0.52 0.27 -0.51 -0.85 0.00 0.00 174.74 173.19 1ud2 s ASP 398 N 1.26 6.52 -0.44 1.40 1.01 -1.26 -0.97 116.67 124.18 1ud2 s ASP 398 Ca -0.02 0.59 0.08 0.00 0.71 0.00 0.00 52.55 53.92 1ud2 s ASP 398 Cb -0.14 -2.10 0.28 0.00 1.01 0.00 0.00 42.92 41.96 1ud2 s ASP 398 CO -0.05 0.27 0.63 -1.22 0.21 0.00 0.00 175.17 175.01 1ud2 n TYR 399 N 1.25 0.67 -2.40 4.23 4.02 0.57 -4.95 117.16 120.55 1ud2 n TYR 399 Ca -0.12 -3.74 -0.41 0.00 -0.01 0.00 0.00 57.90 53.62 1ud2 n TYR 399 Cb 0.53 -0.41 0.01 0.00 -0.02 0.00 0.00 39.34 39.45 1ud2 n TYR 399 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1ud2 n PHE 400 N 0.99 2.68 -0.43 -0.72 3.01 -1.26 -2.28 117.46 119.45 1ud2 n PHE 400 Ca 0.24 -2.67 0.07 0.00 1.01 0.00 0.00 57.45 56.09 1ud2 n PHE 400 Cb 0.53 -1.48 0.20 0.00 -0.01 0.00 0.00 39.48 38.72 1ud2 n PHE 400 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1ud2 n ASP 401 N 0.86 3.31 -3.80 4.37 5.68 -1.26 -4.71 116.55 120.99 1ud2 n ASP 401 Ca 0.52 -2.31 -0.12 0.00 -0.50 0.00 0.00 54.79 52.37 1ud2 n ASP 401 Cb 0.26 -0.34 -0.10 0.00 -1.14 0.00 0.00 41.12 39.80 1ud2 n ASP 401 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1ud2 s HIS 402 N -1.55 -0.16 0.33 2.11 5.04 -1.25 -5.05 115.29 114.75 1ud2 s HIS 402 Ca 0.30 0.33 0.35 0.00 -1.54 0.00 0.00 55.06 54.50 1ud2 s HIS 402 Cb 0.19 0.06 1.65 0.00 0.04 0.00 0.00 32.58 34.52 1ud2 s HIS 402 CO 0.15 -0.26 2.10 0.11 -2.34 0.00 0.00 174.74 174.50 1ud2 h TRP 403 N 4.73 0.00 0.00 3.88 0.09 -1.94 -3.34 115.95 119.36 1ud2 h TRP 403 Ca -0.28 0.00 -0.07 0.00 0.09 0.00 0.00 58.89 58.63 1ud2 h TRP 403 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.42 1ud2 h TRP 403 CO 0.50 0.04 -0.85 -0.25 0.09 0.00 0.00 178.44 177.97 1ud2 n ASP 404 N -3.24 1.25 -4.58 0.11 8.00 -1.26 -0.79 116.55 116.04 1ud2 n ASP 404 Ca -0.01 0.19 -0.41 0.00 0.71 0.00 0.00 54.79 55.28 1ud2 n ASP 404 Cb 0.23 -0.45 -0.08 0.00 -0.02 0.00 0.00 41.12 40.80 1ud2 n ASP 404 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ud2 s VAL 405 N -2.33 5.06 0.16 2.53 1.01 -1.26 -2.91 120.40 122.66 1ud2 s VAL 405 Ca -0.14 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.40 1ud2 s VAL 405 Cb 0.03 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1ud2 s VAL 405 CO 0.19 -0.06 0.01 0.68 0.00 0.00 0.00 175.10 175.92 1ud2 s VAL 406 N 2.32 0.57 0.05 2.92 -7.23 -0.51 -3.89 120.40 114.63 1ud2 s VAL 406 Ca 0.19 -1.96 -0.21 0.00 -1.81 0.00 0.00 61.98 58.19 1ud2 s VAL 406 Cb -0.16 -2.10 0.07 0.00 0.56 0.00 0.00 36.38 34.76 1ud2 s VAL 406 CO 0.11 -0.48 0.96 0.61 -0.31 0.00 0.00 175.10 175.99 1ud2 n GLY 407 N -0.21 0.47 3.61 2.32 0.00 -0.96 -0.86 105.19 109.55 1ud2 n GLY 407 Ca -0.06 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 1ud2 n GLY 407 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1ud2 s TRP 408 N -2.46 -0.36 0.16 1.61 -2.14 -0.18 -0.32 118.94 115.25 1ud2 s TRP 408 Ca 0.22 0.07 0.04 0.00 2.66 0.00 0.00 56.10 59.08 1ud2 s TRP 408 Cb -0.01 0.62 -0.05 0.00 -3.10 0.00 0.00 33.47 30.93 1ud2 s TRP 408 CO 0.01 -0.95 -0.07 0.95 -2.66 0.00 0.00 176.95 174.24 1ud2 s THR 409 N -3.70 1.04 -0.07 0.66 -4.23 -0.14 -0.36 115.64 108.83 1ud2 s THR 409 Ca 0.06 -2.03 -0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1ud2 s THR 409 Cb -0.03 -1.97 0.02 0.00 1.34 0.00 0.00 72.50 71.87 1ud2 s THR 409 CO -0.04 -0.64 -0.05 -0.13 -0.54 0.00 0.00 174.62 173.22 1ud2 s ARG 410 N -3.80 1.03 0.43 3.99 1.81 0.34 -1.24 118.95 121.51 1ud2 s ARG 410 Ca 0.20 -0.11 0.30 0.00 -1.72 0.00 0.00 55.73 54.40 1ud2 s ARG 410 Cb 0.04 -1.14 1.26 0.00 -0.45 0.00 0.00 34.95 34.66 1ud2 s ARG 410 CO 0.02 -0.19 1.88 0.93 -0.68 0.00 0.00 175.30 177.26 1ud2 h GLU 411 N 7.80 0.00 0.00 3.54 5.08 -1.09 -0.62 114.58 129.29 1ud2 h GLU 411 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1ud2 h GLU 411 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1ud2 h GLU 411 CO 0.38 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.80 1ud2 n GLY 412 N -0.08 -0.52 3.24 -3.84 0.00 0.10 -4.57 105.19 99.52 1ud2 n GLY 412 Ca 0.01 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.15 1ud2 n GLY 412 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ud2 s SER 413 N -2.43 2.21 0.59 1.61 1.04 -1.26 -4.11 113.70 111.36 1ud2 s SER 413 Ca 0.00 -0.65 0.30 0.00 0.48 0.00 0.00 55.95 56.08 1ud2 s SER 413 Cb 0.00 -0.11 1.80 0.00 0.10 0.00 0.00 66.02 67.81 1ud2 s SER 413 CO 0.00 0.02 2.21 0.77 0.98 0.00 0.00 173.24 177.22 1ud2 h SER 414 N 4.21 0.00 0.51 7.02 4.64 -1.97 -0.89 113.55 127.07 1ud2 h SER 414 Ca -0.44 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.83 1ud2 h SER 414 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1ud2 h SER 414 CO 0.40 0.00 -0.26 0.77 -0.87 0.00 0.00 176.83 176.87 1ud2 h SER 415 N 0.00 0.00 -3.13 4.97 4.64 -2.00 -3.41 113.55 114.62 1ud2 h SER 415 Ca 0.02 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.70 1ud2 h SER 415 Cb 0.15 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 61.89 1ud2 h SER 415 CO -0.00 0.26 -0.85 -0.13 -0.87 0.00 0.00 176.83 175.25 1ud2 s ARG 416 N -4.04 2.66 0.36 4.77 0.52 -0.34 -5.10 118.95 117.78 1ud2 s ARG 416 Ca -0.02 -0.75 -0.28 0.00 -0.52 0.00 0.00 55.73 54.16 1ud2 s ARG 416 Cb 0.13 -2.40 -0.11 0.00 0.52 0.00 0.00 34.95 33.08 1ud2 s ARG 416 CO 0.66 -0.24 1.49 -0.35 0.02 0.00 0.00 175.30 176.88 1ud2 n PRO 417 N 4.67 2.64 -0.98 3.54 -0.04 -1.26 -2.46 135.00 141.11 1ud2 n PRO 417 Ca -0.19 0.93 -0.06 0.00 -0.04 0.00 0.00 63.50 64.14 1ud2 n PRO 417 Cb 0.50 -2.66 -0.03 0.00 -0.04 0.00 0.00 33.50 31.27 1ud2 n PRO 417 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ud2 n ASN 418 N 0.75 -3.65 -4.75 3.54 4.13 -1.26 -4.93 115.26 109.09 1ud2 n ASN 418 Ca 0.03 0.15 -0.32 0.00 1.68 0.00 0.00 54.58 56.12 1ud2 n ASN 418 Cb 0.38 -2.80 0.10 0.00 -1.54 0.00 0.00 39.78 35.92 1ud2 n ASN 418 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1ud2 s SER 419 N -1.66 4.32 0.00 6.41 1.04 -1.03 -4.42 113.70 118.37 1ud2 s SER 419 Ca 0.00 1.97 0.00 0.00 0.48 0.00 0.00 55.95 58.40 1ud2 s SER 419 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1ud2 s SER 419 CO 0.00 -2.16 0.00 0.61 0.98 0.00 0.00 173.24 172.67 1ud2 n GLY 420 N -0.68 4.24 3.75 7.32 0.00 0.57 -4.21 105.19 116.18 1ud2 n GLY 420 Ca 0.10 -1.30 -0.08 0.00 0.00 0.00 0.00 46.02 44.74 1ud2 n GLY 420 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ud2 s LEU 421 N 0.00 -0.23 -0.12 0.99 0.05 -0.24 -4.37 118.68 114.76 1ud2 s LEU 421 Ca 0.00 -0.54 -0.04 0.00 0.05 0.00 0.00 54.13 53.60 1ud2 s LEU 421 Cb 0.00 2.58 0.05 0.00 -2.05 0.00 0.00 46.19 46.78 1ud2 s LEU 421 CO 0.00 -1.26 0.12 0.00 -0.55 0.00 0.00 176.35 174.66 1ud2 s ALA 422 N -3.90 0.12 -0.19 1.48 0.00 -0.39 -0.51 121.76 118.38 1ud2 s ALA 422 Ca 0.10 0.12 -0.08 0.00 0.00 0.00 0.00 51.96 52.10 1ud2 s ALA 422 Cb -0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 1ud2 s ALA 422 CO 0.04 -0.85 0.08 0.99 0.00 0.00 0.00 175.76 176.01 1ud2 s THR 423 N 2.21 4.98 -0.00 0.00 2.01 0.51 -0.76 115.64 124.60 1ud2 s THR 423 Ca 0.04 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1ud2 s THR 423 Cb -0.14 -3.25 -0.00 0.00 0.01 0.00 0.00 72.50 69.12 1ud2 s THR 423 CO -0.07 0.46 -0.01 -0.51 -0.69 0.00 0.00 174.62 173.80 1ud2 s ILE 424 N 0.32 0.06 0.24 1.82 2.07 -0.65 -1.01 121.20 124.05 1ud2 s ILE 424 Ca 0.05 -0.04 -0.14 0.00 -1.41 0.00 0.00 60.65 59.11 1ud2 s ILE 424 Cb -0.12 -0.06 0.00 0.00 0.13 0.00 0.00 42.46 42.41 1ud2 s ILE 424 CO -0.00 0.01 0.49 0.00 -1.91 0.00 0.00 174.94 173.53 1ud2 s MET 425 N -0.04 1.51 -0.16 3.50 0.23 -0.04 -0.92 119.30 123.38 1ud2 s MET 425 Ca 0.00 -1.16 -0.13 0.00 -1.03 0.00 0.00 55.69 53.37 1ud2 s MET 425 Cb -0.00 0.48 0.05 0.00 -1.53 0.00 0.00 34.83 33.83 1ud2 s MET 425 CO -0.00 -0.63 0.42 0.45 -2.03 0.00 0.00 175.02 173.22 1ud2 s SER 426 N -2.98 -0.47 0.00 -1.18 0.15 -0.61 -1.43 113.70 107.18 1ud2 s SER 426 Ca 0.19 0.86 0.22 0.00 0.70 0.00 0.00 55.95 57.92 1ud2 s SER 426 Cb -0.01 0.82 0.61 0.00 -1.71 0.00 0.00 66.02 65.74 1ud2 s SER 426 CO 0.06 -0.16 1.51 -0.46 1.20 0.00 0.00 173.24 175.39 1ud2 n ASN 427 N 3.39 3.77 0.00 5.45 6.94 -1.15 -1.43 115.26 132.23 1ud2 n ASN 427 Ca -0.17 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.39 1ud2 n ASN 427 Cb 0.56 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 1ud2 n ASN 427 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ud2 n GLY 428 N 1.62 5.42 3.54 4.83 0.00 -1.26 -2.90 105.19 116.43 1ud2 n GLY 428 Ca 0.23 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 1ud2 n GLY 428 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ud2 n PRO 429 N 0.00 0.27 -1.31 1.61 -0.02 -1.26 -0.79 135.00 133.50 1ud2 n PRO 429 Ca 0.00 0.14 -0.30 0.00 -2.02 0.00 0.00 63.50 61.32 1ud2 n PRO 429 Cb 0.00 -2.04 0.22 0.00 -0.02 0.00 0.00 33.50 31.66 1ud2 n PRO 429 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ud2 s GLY 430 N -1.68 1.63 0.00 -1.23 0.00 -1.26 -4.59 107.32 100.19 1ud2 s GLY 430 Ca 0.68 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 44.42 1ud2 s GLY 430 CO 0.56 -0.14 0.00 0.61 0.00 0.00 0.00 173.10 174.13 1ud2 n GLY 431 N -1.70 -1.10 3.21 0.20 0.00 -0.29 -4.85 105.19 100.66 1ud2 n GLY 431 Ca 0.13 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 1ud2 n GLY 431 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ud2 s SER 432 N -4.00 0.17 -0.27 1.61 1.04 -1.26 -1.12 113.70 109.87 1ud2 s SER 432 Ca 0.00 -1.30 -0.18 0.00 0.48 0.00 0.00 55.95 54.95 1ud2 s SER 432 Cb 0.00 0.37 0.08 0.00 0.10 0.00 0.00 66.02 66.57 1ud2 s SER 432 CO 0.00 -0.83 0.68 -0.75 0.98 0.00 0.00 173.24 173.32 1ud2 s LYS 433 N -4.12 0.73 -0.01 4.02 2.20 -0.62 -4.99 119.74 116.96 1ud2 s LYS 433 Ca 0.34 1.15 -0.29 0.00 -0.36 0.00 0.00 55.97 56.80 1ud2 s LYS 433 Cb 0.07 0.20 -0.03 0.00 -1.51 0.00 0.00 37.83 36.55 1ud2 s LYS 433 CO 0.09 -0.14 0.95 -1.58 -0.36 0.00 0.00 175.35 174.31 1ud2 s TRP 434 N 1.31 3.65 0.03 4.03 0.52 -1.26 -2.04 118.94 125.18 1ud2 s TRP 434 Ca -0.07 1.65 0.00 0.00 0.02 0.00 0.00 56.10 57.70 1ud2 s TRP 434 Cb -0.05 -3.09 -0.02 0.00 -1.15 0.00 0.00 33.47 29.16 1ud2 s TRP 434 CO -0.14 0.00 -0.04 -1.64 0.02 0.00 0.00 176.95 175.15 1ud2 s MET 435 N 0.97 0.40 -0.13 4.98 -1.94 -0.53 -4.98 119.30 118.08 1ud2 s MET 435 Ca 0.50 -0.71 -0.22 0.00 -1.71 0.00 0.00 55.69 53.56 1ud2 s MET 435 Cb -0.21 0.01 -0.03 0.00 2.01 0.00 0.00 34.83 36.62 1ud2 s MET 435 CO 0.27 -0.03 0.64 -0.47 -0.01 0.00 0.00 175.02 175.42 1ud2 s TYR 436 N -1.68 3.48 -0.18 -0.03 5.04 -1.26 -2.00 117.35 120.73 1ud2 s TYR 436 Ca -0.12 1.06 0.02 0.00 -2.44 0.00 0.00 57.07 55.59 1ud2 s TYR 436 Cb -0.08 -2.76 0.05 0.00 0.35 0.00 0.00 41.96 39.51 1ud2 s TYR 436 CO -0.01 -0.01 0.98 1.33 -1.34 0.00 0.00 175.55 176.50 1ud2 n VAL 437 N 4.14 0.87 0.00 3.14 0.24 0.13 -4.74 118.33 122.10 1ud2 n VAL 437 Ca -0.02 -0.93 0.00 0.00 -2.04 0.00 0.00 64.34 61.35 1ud2 n VAL 437 Cb 0.51 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 1ud2 n VAL 437 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ud2 n GLY 438 N -0.26 1.80 0.33 7.63 0.00 -1.20 -4.20 105.19 109.29 1ud2 n GLY 438 Ca 0.02 -1.17 0.19 0.00 0.00 0.00 0.00 46.02 45.06 1ud2 n GLY 438 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ud2 h ARG 439 N 0.00 0.00 0.00 1.61 2.43 -1.80 0.90 114.38 117.52 1ud2 h ARG 439 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ud2 h ARG 439 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1ud2 h ARG 439 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 1ud2 n GLN 440 N -3.34 0.09 -0.25 0.20 0.00 -1.26 -2.16 117.38 110.66 1ud2 n GLN 440 Ca -0.01 0.34 0.11 0.00 0.00 0.00 0.00 57.00 57.43 1ud2 n GLN 440 Cb 0.22 -1.68 0.24 0.00 0.00 0.00 0.00 30.24 29.02 1ud2 n GLN 440 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1ud2 n ASN 441 N -1.86 3.55 -4.64 2.61 3.02 0.31 -5.01 115.26 113.24 1ud2 n ASN 441 Ca 0.03 -1.98 -0.42 0.00 -0.03 0.00 0.00 54.58 52.18 1ud2 n ASN 441 Cb 0.20 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 1ud2 n ASN 441 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ud2 n ALA 442 N 1.43 0.50 0.00 5.41 0.00 -0.92 -2.25 120.51 124.68 1ud2 n ALA 442 Ca 0.20 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1ud2 n ALA 442 Cb 0.59 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1ud2 n ALA 442 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ud2 n GLY 443 N 1.05 2.31 3.83 0.00 0.00 0.47 -4.97 105.19 107.88 1ud2 n GLY 443 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1ud2 n GLY 443 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ud2 s GLN 444 N -0.26 3.99 -0.24 1.61 -0.21 -0.96 -4.77 119.66 118.83 1ud2 s GLN 444 Ca 0.00 1.05 -0.01 0.00 0.02 0.00 0.00 55.36 56.42 1ud2 s GLN 444 Cb 0.00 -2.14 0.02 0.00 1.00 0.00 0.00 33.01 31.89 1ud2 s GLN 444 CO 0.00 -0.24 -0.07 0.99 -2.12 0.00 0.00 175.29 173.85 1ud2 s THR 445 N -2.43 2.83 -0.11 -0.19 2.01 -1.26 -0.39 115.64 116.11 1ud2 s THR 445 Ca 0.61 -0.99 -0.06 0.00 0.31 0.00 0.00 61.69 61.55 1ud2 s THR 445 Cb -0.10 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 1ud2 s THR 445 CO 0.25 0.23 0.13 0.26 -0.69 0.00 0.00 174.62 174.80 1ud2 s TRP 446 N 1.33 3.55 0.15 4.92 0.52 0.28 -4.58 118.94 125.10 1ud2 s TRP 446 Ca 0.01 0.48 0.08 0.00 0.02 0.00 0.00 56.10 56.68 1ud2 s TRP 446 Cb -0.16 -1.91 -0.04 0.00 -1.15 0.00 0.00 33.47 30.20 1ud2 s TRP 446 CO -0.05 0.70 -0.17 0.95 0.02 0.00 0.00 176.95 178.41 1ud2 s THR 447 N -1.04 1.64 -0.35 2.01 -4.23 -0.75 -0.57 115.64 112.35 1ud2 s THR 447 Ca 0.16 -1.84 -0.29 0.00 -1.18 0.00 0.00 61.69 58.54 1ud2 s THR 447 Cb -0.12 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 72.00 1ud2 s THR 447 CO 0.05 -0.34 1.43 -0.62 -0.54 0.00 0.00 174.62 174.60 1ud2 s ASP 448 N -2.57 6.40 0.55 3.99 2.15 -1.26 -1.82 116.67 124.11 1ud2 s ASP 448 Ca 0.13 1.06 0.27 0.00 0.43 0.00 0.00 52.55 54.44 1ud2 s ASP 448 Cb -0.05 -2.54 1.60 0.00 -0.30 0.00 0.00 42.92 41.62 1ud2 s ASP 448 CO 0.05 -1.33 2.17 -0.07 -0.17 0.00 0.00 175.17 175.82 1ud2 h LEU 449 N 11.88 0.00 0.00 -1.34 3.38 -1.43 -2.30 115.31 125.50 1ud2 h LEU 449 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1ud2 h LEU 449 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1ud2 h LEU 449 CO 1.06 0.05 -0.29 0.71 0.09 0.00 0.00 178.44 180.06 1ud2 h THR 450 N 0.00 0.00 -0.04 0.22 1.35 -1.91 -3.47 112.91 109.05 1ud2 h THR 450 Ca -0.00 -0.59 -0.02 0.00 -0.55 0.00 0.00 66.41 65.25 1ud2 h THR 450 Cb 0.14 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 1ud2 h THR 450 CO 0.01 0.00 -0.02 0.61 -0.25 0.00 0.00 175.52 175.87 1ud2 n GLY 451 N 1.28 0.37 0.05 5.82 0.00 -0.87 -4.87 105.19 106.97 1ud2 n GLY 451 Ca 0.04 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1ud2 n GLY 451 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ud2 n ASN 452 N -0.33 0.43 -3.69 1.61 3.02 -1.26 -4.73 115.26 110.31 1ud2 n ASN 452 Ca -0.01 0.53 -0.12 0.00 -0.03 0.00 0.00 54.58 54.96 1ud2 n ASN 452 Cb 0.22 -0.65 -0.12 0.00 -0.61 0.00 0.00 39.78 38.62 1ud2 n ASN 452 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ud2 s ASN 453 N -3.80 -0.10 0.00 6.41 3.84 -1.26 -4.74 114.94 115.29 1ud2 s ASN 453 Ca 0.12 0.68 0.28 0.00 0.21 0.00 0.00 52.86 54.15 1ud2 s ASN 453 Cb 0.16 0.70 1.52 0.00 -0.55 0.00 0.00 41.25 43.08 1ud2 s ASN 453 CO 0.57 -0.21 2.00 0.61 -2.79 0.00 0.00 177.10 177.28 1ud2 n GLY 454 N 4.78 -0.73 3.68 1.21 0.00 -1.26 -4.37 105.19 108.49 1ud2 n GLY 454 Ca -0.16 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 1ud2 n GLY 454 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ud2 n ALA 455 N -0.66 0.98 -3.44 4.61 0.00 -1.26 -4.97 120.51 115.76 1ud2 n ALA 455 Ca 0.21 0.20 -0.35 0.00 0.00 0.00 0.00 53.44 53.50 1ud2 n ALA 455 Cb 0.16 -2.22 -0.14 0.00 0.00 0.00 0.00 19.45 17.25 1ud2 n ALA 455 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ud2 s SER 456 N -0.72 4.34 -0.32 0.00 0.15 -1.26 -4.44 113.70 111.45 1ud2 s SER 456 Ca 0.65 -0.37 -0.06 0.00 0.70 0.00 0.00 55.95 56.87 1ud2 s SER 456 Cb -0.49 -1.74 0.03 0.00 -1.71 0.00 0.00 66.02 62.11 1ud2 s SER 456 CO 0.55 -0.01 0.09 -0.69 1.20 0.00 0.00 173.24 174.38 1ud2 s VAL 457 N 1.39 3.78 -0.14 4.45 1.01 0.26 -4.92 120.40 126.23 1ud2 s VAL 457 Ca 0.05 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 1ud2 s VAL 457 Cb -0.14 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1ud2 s VAL 457 CO -0.02 -0.08 0.42 -0.89 0.00 0.00 0.00 175.10 174.52 1ud2 s THR 458 N 1.42 5.22 0.02 3.92 2.01 -1.26 0.10 115.64 127.08 1ud2 s THR 458 Ca -0.00 0.81 -0.30 0.00 0.31 0.00 0.00 61.69 62.50 1ud2 s THR 458 Cb -0.19 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1ud2 s THR 458 CO 0.02 0.33 1.09 -0.63 -0.69 0.00 0.00 174.62 174.74 1ud2 s ILE 459 N 0.67 4.46 1.01 1.82 -1.09 0.48 -4.69 121.20 123.86 1ud2 s ILE 459 Ca 0.22 1.77 -0.17 0.00 -2.23 0.00 0.00 60.65 60.24 1ud2 s ILE 459 Cb -0.14 -4.13 0.24 0.00 -1.58 0.00 0.00 42.46 36.84 1ud2 s ILE 459 CO 0.08 0.13 1.19 -0.46 -1.23 0.00 0.00 174.94 174.65 1ud2 n ASN 460 N 3.98 -0.64 0.32 3.58 0.23 0.92 -0.39 115.26 123.27 1ud2 n ASN 460 Ca 0.08 -1.35 0.21 0.00 -0.53 0.00 0.00 54.58 52.99 1ud2 n ASN 460 Cb 0.49 -0.97 1.11 0.00 -2.08 0.00 0.00 39.78 38.33 1ud2 n ASN 460 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1ud2 h GLY 461 N -1.99 0.00 -1.34 4.83 0.00 -1.95 -1.44 103.07 101.18 1ud2 h GLY 461 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1ud2 h GLY 461 CO 0.28 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.04 1ud2 n ASP 462 N -3.16 2.39 0.00 0.19 8.00 -1.26 -4.92 116.55 117.78 1ud2 n ASP 462 Ca -0.02 -1.79 0.00 0.00 0.71 0.00 0.00 54.79 53.68 1ud2 n ASP 462 Cb 0.11 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 1ud2 n ASP 462 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ud2 n GLY 463 N 1.28 0.68 3.66 0.44 0.00 -0.54 -4.22 105.19 106.49 1ud2 n GLY 463 Ca 0.16 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 1ud2 n GLY 463 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ud2 s TRP 464 N -2.00 3.06 0.04 1.61 0.52 -1.26 -0.69 118.94 120.22 1ud2 s TRP 464 Ca 0.00 0.09 0.01 0.00 0.02 0.00 0.00 56.10 56.22 1ud2 s TRP 464 Cb 0.00 -1.71 -0.03 0.00 -1.15 0.00 0.00 33.47 30.59 1ud2 s TRP 464 CO 0.00 0.43 -0.05 0.20 0.02 0.00 0.00 176.95 177.55 1ud2 s GLY 465 N -1.20 0.42 -0.33 0.98 0.00 -0.85 -0.05 107.32 106.29 1ud2 s GLY 465 Ca 0.16 -0.80 -0.10 0.00 0.00 0.00 0.00 44.72 43.98 1ud2 s GLY 465 CO 0.06 -0.87 0.17 1.85 0.00 0.00 0.00 173.10 174.30 1ud2 s GLU 466 N -2.01 3.12 -0.07 2.90 2.12 -1.26 -1.45 118.70 122.05 1ud2 s GLU 466 Ca -0.08 -0.87 -0.05 0.00 0.36 0.00 0.00 54.97 54.33 1ud2 s GLU 466 Cb -0.07 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 1ud2 s GLU 466 CO -0.02 -0.53 0.15 -0.06 -0.54 0.00 0.00 175.26 174.27 1ud2 s PHE 467 N 1.58 3.56 0.14 5.30 0.08 -0.87 -4.84 117.98 122.94 1ud2 s PHE 467 Ca 0.03 0.45 0.08 0.00 0.12 0.00 0.00 56.93 57.61 1ud2 s PHE 467 Cb -0.18 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.34 1ud2 s PHE 467 CO 0.06 0.69 -0.11 -0.06 -0.10 0.00 0.00 175.22 175.71 1ud2 s PHE 468 N -1.15 2.67 -0.04 0.36 0.40 -1.26 -1.58 117.98 117.37 1ud2 s PHE 468 Ca 0.20 -0.20 -0.08 0.00 -0.60 0.00 0.00 56.93 56.25 1ud2 s PHE 468 Cb -0.12 -1.36 0.01 0.00 0.51 0.00 0.00 43.02 42.07 1ud2 s PHE 468 CO 0.10 0.46 0.19 -0.08 0.70 0.00 0.00 175.22 176.59 1ud2 s THR 469 N -1.43 0.04 0.89 0.64 -1.32 -0.28 -4.80 115.64 109.39 1ud2 s THR 469 Ca 0.23 -0.29 -0.11 0.00 -1.21 0.00 0.00 61.69 60.30 1ud2 s THR 469 Cb -0.10 -0.37 0.19 0.00 -1.51 0.00 0.00 72.50 70.70 1ud2 s THR 469 CO 0.14 -0.16 1.23 0.20 -2.21 0.00 0.00 174.62 173.82 1ud2 s ASN 470 N -0.56 3.42 0.51 8.08 0.01 -1.26 -1.14 114.94 124.00 1ud2 s ASN 470 Ca -0.07 -0.00 -0.21 0.00 -0.71 0.00 0.00 52.86 51.88 1ud2 s ASN 470 Cb -0.04 -0.11 -0.07 0.00 0.41 0.00 0.00 41.25 41.44 1ud2 s ASN 470 CO 0.01 -2.51 1.12 -0.83 -1.51 0.00 0.00 177.10 173.38 1ud2 s GLY 471 N -4.87 2.66 -1.44 0.66 0.00 -1.26 -3.54 107.32 99.53 1ud2 s GLY 471 Ca 0.72 0.82 -0.09 0.00 0.00 0.00 0.00 44.72 46.17 1ud2 s GLY 471 CO 0.50 1.20 0.24 0.61 0.00 0.00 0.00 173.10 175.65 1ud2 n GLY 472 N 0.19 -0.33 3.52 0.20 0.00 0.03 -4.84 105.19 103.97 1ud2 n GLY 472 Ca 0.10 0.22 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 1ud2 n GLY 472 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ud2 s SER 473 N -4.15 0.37 -0.03 1.61 0.15 -0.51 -4.95 113.70 106.19 1ud2 s SER 473 Ca 0.14 -1.22 -0.04 0.00 0.70 0.00 0.00 55.95 55.52 1ud2 s SER 473 Cb -0.07 0.62 0.01 0.00 -1.71 0.00 0.00 66.02 64.86 1ud2 s SER 473 CO 0.98 -1.21 0.10 0.54 1.20 0.00 0.00 173.24 174.84 1ud2 s VAL 474 N -3.52 0.01 0.05 4.45 0.11 -1.26 -1.57 120.40 118.68 1ud2 s VAL 474 Ca 0.27 -0.12 0.05 0.00 -2.93 0.00 0.00 61.98 59.25 1ud2 s VAL 474 Cb -0.00 -0.18 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 1ud2 s VAL 474 CO 0.14 -0.07 -0.13 -0.44 -3.33 0.00 0.00 175.10 171.27 1ud2 s SER 475 N -0.17 1.58 -0.28 3.54 0.01 -0.10 -4.70 113.70 113.59 1ud2 s SER 475 Ca -0.02 -0.51 -0.01 0.00 1.31 0.00 0.00 55.95 56.71 1ud2 s SER 475 Cb -0.02 -0.07 0.09 0.00 0.21 0.00 0.00 66.02 66.22 1ud2 s SER 475 CO 0.00 -0.02 0.07 -0.69 0.41 0.00 0.00 173.24 173.01 1ud2 s VAL 476 N -1.03 0.91 -0.01 3.43 1.01 -1.26 -1.63 120.40 121.83 1ud2 s VAL 476 Ca -0.01 -1.23 -0.21 0.00 0.00 0.00 0.00 61.98 60.53 1ud2 s VAL 476 Cb -0.09 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1ud2 s VAL 476 CO 0.02 -0.52 0.62 -0.31 0.00 0.00 0.00 175.10 174.91 1ud2 s TYR 477 N 1.62 3.68 0.16 5.22 1.51 0.06 -0.96 117.35 128.64 1ud2 s TYR 477 Ca 0.06 1.23 -0.04 0.00 -1.01 0.00 0.00 57.07 57.31 1ud2 s TYR 477 Cb -0.17 -2.65 -0.03 0.00 -0.11 0.00 0.00 41.96 39.00 1ud2 s TYR 477 CO -0.19 0.32 0.17 0.14 -1.11 0.00 0.00 175.55 174.87 1ud2 s VAL 478 N -0.08 0.07 -1.38 0.71 -7.23 -0.76 -1.26 120.40 110.48 1ud2 s VAL 478 Ca 0.32 -1.73 -0.13 0.00 -1.81 0.00 0.00 61.98 58.64 1ud2 s VAL 478 Cb -0.18 -2.06 0.09 0.00 0.56 0.00 0.00 36.38 34.78 1ud2 s VAL 478 CO 0.18 -0.31 2.04 -3.20 -0.31 0.00 0.00 175.10 173.50 1ud2 n ASN 479 N -0.18 4.41 -0.82 4.85 4.05 -1.26 -1.82 115.26 124.50 1ud2 n ASN 479 Ca -0.05 -2.94 0.13 0.00 0.45 0.00 0.00 54.58 52.17 1ud2 n ASN 479 Cb 0.64 -1.61 0.23 0.00 1.23 0.00 0.00 39.78 40.27 1ud2 n ASN 479 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21