#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2weg s HIS 4 N 0.00 3.01 0.64 1.57 4.02 -1.26 -5.03 115.29 118.25 2weg s HIS 4 Ca 0.00 0.18 -0.15 0.00 1.02 0.00 0.00 55.06 56.11 2weg s HIS 4 Cb 0.00 -2.67 -0.01 0.00 -1.02 0.00 0.00 32.58 28.88 2weg s HIS 4 CO 0.00 -0.78 1.09 1.67 1.02 0.00 0.00 174.74 177.74 2weg s TRP 5 N -2.78 2.77 0.00 1.40 1.48 -1.26 -4.86 118.94 115.68 2weg s TRP 5 Ca 0.55 1.53 0.00 0.00 -1.06 0.00 0.00 56.10 57.12 2weg s TRP 5 Cb -0.10 -3.09 0.00 0.00 -1.16 0.00 0.00 33.47 29.12 2weg s TRP 5 CO 0.40 -1.47 0.00 0.41 -4.06 0.00 0.00 176.95 172.22 2weg n GLY 6 N -0.79 2.96 0.04 3.67 0.00 -0.01 -5.03 105.19 106.01 2weg n GLY 6 Ca 0.10 -0.31 0.02 0.00 0.00 0.00 0.00 46.02 45.82 2weg n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2weg n TYR 7 N 0.00 0.00 -1.59 1.61 4.01 -1.26 -3.85 117.16 116.09 2weg n TYR 7 Ca 0.00 -0.48 -0.18 0.00 -0.16 0.00 0.00 57.90 57.08 2weg n TYR 7 Cb 0.00 -0.06 0.13 0.00 -0.31 0.00 0.00 39.34 39.10 2weg n TYR 7 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2weg n GLY 8 N -0.56 -1.34 0.17 2.72 0.00 -1.26 -4.70 105.19 100.22 2weg n GLY 8 Ca 0.03 -1.70 -0.03 0.00 0.00 0.00 0.00 46.02 44.32 2weg n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2weg h LYS 9 N 0.00 0.16 -0.01 1.61 1.63 -1.97 0.26 116.57 118.25 2weg h LYS 9 Ca -0.27 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 2weg h LYS 9 Cb 0.74 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 2weg h LYS 9 CO 0.19 0.66 -0.66 0.72 -3.45 0.00 0.00 179.45 176.91 2weg n HIS 10 N -3.91 0.00 -1.68 1.91 8.25 -1.26 -4.45 115.22 114.08 2weg n HIS 10 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2weg n HIS 10 Cb 0.56 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.64 2weg n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2weg n ASN 11 N -0.79 0.00 -1.95 0.41 6.94 -1.12 -4.96 115.26 113.80 2weg n ASN 11 Ca 0.07 -1.56 0.00 0.00 -0.02 0.00 0.00 54.58 53.07 2weg n ASN 11 Cb 0.39 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 2weg n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2weg n GLY 12 N 0.00 0.32 0.46 4.83 0.00 0.06 -0.83 105.19 110.03 2weg n GLY 12 Ca 0.00 -1.88 0.27 0.00 0.00 0.00 0.00 46.02 44.42 2weg n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2weg h PRO 13 N 0.00 0.14 0.00 1.61 0.11 -1.84 0.25 132.00 132.27 2weg h PRO 13 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2weg h PRO 13 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 2weg h PRO 13 CO 0.00 0.09 0.00 -0.85 -0.21 0.00 0.00 178.00 177.03 2weg n GLU 14 N -4.36 0.08 0.02 1.05 0.00 -1.26 -3.09 120.64 113.08 2weg n GLU 14 Ca 0.21 0.20 0.11 0.00 0.00 0.00 0.00 57.16 57.68 2weg n GLU 14 Cb 0.96 -1.61 -0.13 0.00 0.00 0.00 0.00 31.44 30.66 2weg n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2weg n HIS 15 N -1.75 0.25 -0.01 -1.84 8.25 0.87 -4.62 115.22 116.38 2weg n HIS 15 Ca 0.05 0.07 0.12 0.00 -0.26 0.00 0.00 57.72 57.70 2weg n HIS 15 Cb 0.28 -0.63 0.54 0.00 1.12 0.00 0.00 29.99 31.30 2weg n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 2weg h TRP 16 N 0.00 0.31 0.00 4.41 6.55 -1.46 -2.20 115.95 123.57 2weg h TRP 16 Ca -0.01 0.01 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 2weg h TRP 16 Cb 1.02 -0.10 -0.00 0.00 -0.86 0.00 0.00 29.16 29.22 2weg h TRP 16 CO 0.00 0.16 -0.00 1.12 -1.05 0.00 0.00 178.44 178.67 2weg h HIS 17 N 0.30 0.00 -0.15 0.49 2.07 -1.80 0.48 115.15 116.54 2weg h HIS 17 Ca 0.21 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.59 2weg h HIS 17 Cb 0.45 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.43 2weg h HIS 17 CO -0.00 0.00 -0.51 0.87 -3.07 0.00 0.00 177.93 175.22 2weg h LYS 18 N 0.00 0.41 0.00 5.12 1.57 -1.74 -2.83 116.57 119.10 2weg h LYS 18 Ca -0.00 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2weg h LYS 18 Cb 0.08 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2weg h LYS 18 CO 0.00 0.83 -1.80 -0.25 -0.57 0.00 0.00 179.45 177.65 2weg n ASP 19 N -3.96 0.17 -3.51 0.86 8.00 -0.85 -4.77 116.55 112.48 2weg n ASP 19 Ca -0.02 -0.03 -0.27 0.00 0.71 0.00 0.00 54.79 55.17 2weg n ASP 19 Cb 0.57 1.74 -0.10 0.00 -0.02 0.00 0.00 41.12 43.31 2weg n ASP 19 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2weg n PHE 20 N -2.25 0.69 0.30 1.24 3.72 0.10 -4.99 117.46 116.27 2weg n PHE 20 Ca -0.03 -3.69 0.19 0.00 -0.05 0.00 0.00 57.45 53.87 2weg n PHE 20 Cb 0.55 -0.14 0.98 0.00 -0.94 0.00 0.00 39.48 39.93 2weg n PHE 20 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2weg h PRO 21 N 5.22 0.00 0.00 -1.08 0.13 -1.75 0.13 132.00 134.65 2weg h PRO 21 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2weg h PRO 21 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2weg h PRO 21 CO 0.52 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.80 2weg n ILE 22 N -2.87 1.54 -0.22 -3.56 3.06 -1.26 -2.06 119.36 113.99 2weg n ILE 22 Ca -0.02 0.39 0.27 0.00 -2.50 0.00 0.00 62.75 60.89 2weg n ILE 22 Cb 0.11 -1.27 0.67 0.00 0.54 0.00 0.00 39.64 39.68 2weg n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2weg h ALA 23 N 2.23 2.70 -0.80 1.51 0.00 -1.28 0.21 119.26 123.83 2weg h ALA 23 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 2weg h ALA 23 Cb 0.11 0.05 -0.20 0.00 0.00 0.00 0.00 17.79 17.76 2weg h ALA 23 CO 0.00 -0.98 0.39 1.63 0.00 0.00 0.00 179.25 180.29 2weg n LYS 24 N -4.34 2.94 -1.14 0.00 5.02 -0.87 -4.96 118.16 114.81 2weg n LYS 24 Ca 0.20 -3.06 -0.19 0.00 -2.02 0.00 0.00 58.31 53.24 2weg n LYS 24 Cb 0.94 -2.16 0.14 0.00 -0.02 0.00 0.00 35.03 33.92 2weg n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2weg n GLY 25 N -0.66 -1.55 0.05 0.72 0.00 0.72 -4.99 105.19 99.48 2weg n GLY 25 Ca 0.48 -1.67 0.13 0.00 0.00 0.00 0.00 46.02 44.96 2weg n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2weg n GLU 26 N -2.91 0.17 -2.99 1.61 -0.58 -1.26 -4.32 120.64 110.35 2weg n GLU 26 Ca 0.10 0.08 -0.14 0.00 -0.42 0.00 0.00 57.16 56.78 2weg n GLU 26 Cb 0.37 -1.63 -0.00 0.00 -0.57 0.00 0.00 31.44 29.60 2weg n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2weg n ARG 27 N -1.89 1.03 -2.79 3.49 1.85 -1.26 -4.59 116.66 112.50 2weg n ARG 27 Ca 0.05 -3.21 -0.30 0.00 -1.00 0.00 0.00 57.85 53.39 2weg n ARG 27 Cb 0.40 -1.48 -0.03 0.00 -1.05 0.00 0.00 32.46 30.30 2weg n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2weg s GLN 28 N -2.39 3.78 0.21 2.89 -1.52 -1.26 -2.84 119.66 118.53 2weg s GLN 28 Ca 0.34 0.51 0.09 0.00 -1.95 0.00 0.00 55.36 54.35 2weg s GLN 28 Cb 0.38 -2.36 -0.05 0.00 -0.22 0.00 0.00 33.01 30.76 2weg s GLN 28 CO -0.04 -0.07 -0.17 -1.12 -0.25 0.00 0.00 175.29 173.64 2weg s SER 29 N -3.19 2.84 1.02 5.90 0.01 -1.26 -4.65 113.70 114.36 2weg s SER 29 Ca 0.52 -0.99 -0.17 0.00 1.31 0.00 0.00 55.95 56.61 2weg s SER 29 Cb -0.10 -0.18 0.24 0.00 0.21 0.00 0.00 66.02 66.18 2weg s SER 29 CO 0.32 -0.09 1.33 -2.16 0.41 0.00 0.00 173.24 173.05 2weg s PRO 30 N -3.44 0.15 0.13 12.44 0.04 -1.26 -4.52 135.00 138.53 2weg s PRO 30 Ca 0.23 -0.49 0.02 0.00 0.04 0.00 0.00 61.00 60.80 2weg s PRO 30 Cb -0.03 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2weg s PRO 30 CO 0.09 -2.73 -0.06 0.14 0.04 0.00 0.00 177.00 174.48 2weg s VAL 31 N -3.87 0.80 0.07 -0.36 -7.23 -1.26 -0.49 120.40 108.06 2weg s VAL 31 Ca 0.76 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.66 2weg s VAL 31 Cb -0.03 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 35.02 2weg s VAL 31 CO 0.54 -0.74 1.03 -0.62 -0.31 0.00 0.00 175.10 175.01 2weg s ASP 32 N -3.11 7.34 -0.54 4.85 2.15 -1.26 -3.06 116.67 123.04 2weg s ASP 32 Ca 0.16 1.83 -0.18 0.00 0.43 0.00 0.00 52.55 54.79 2weg s ASP 32 Cb 0.05 -2.58 0.09 0.00 -0.30 0.00 0.00 42.92 40.17 2weg s ASP 32 CO -0.01 -0.23 0.61 -0.63 -0.17 0.00 0.00 175.17 174.73 2weg s ILE 33 N 0.52 4.95 -0.58 4.11 1.01 0.50 -4.94 121.20 126.76 2weg s ILE 33 Ca 0.51 -0.90 -0.28 0.00 0.00 0.00 0.00 60.65 59.99 2weg s ILE 33 Cb -0.25 -4.35 0.03 0.00 0.01 0.00 0.00 42.46 37.90 2weg s ILE 33 CO 0.30 -0.90 1.17 -0.62 0.00 0.00 0.00 174.94 174.89 2weg s ASP 34 N 3.15 6.44 0.40 3.58 -1.08 -1.26 -0.70 116.67 127.20 2weg s ASP 34 Ca 0.11 0.06 0.20 0.00 -0.52 0.00 0.00 52.55 52.40 2weg s ASP 34 Cb -0.23 -2.54 0.84 0.00 -1.46 0.00 0.00 42.92 39.52 2weg s ASP 34 CO 0.08 -1.46 1.81 0.71 0.52 0.00 0.00 175.17 176.83 2weg h THR 35 N 6.15 0.87 0.00 1.71 1.35 -1.95 -1.68 112.91 119.35 2weg h THR 35 Ca -0.25 -1.28 -0.11 0.00 -0.55 0.00 0.00 66.41 64.22 2weg h THR 35 Cb 1.06 1.77 -0.02 0.00 -1.73 0.00 0.00 68.15 69.24 2weg h THR 35 CO 1.18 0.31 -0.53 0.45 -0.25 0.00 0.00 175.52 176.68 2weg h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.04 -3.29 115.15 118.41 2weg h HIS 36 Ca -0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.09 2weg h HIS 36 Cb 0.75 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.20 2weg h HIS 36 CO 0.00 0.53 -1.37 2.41 0.86 0.00 0.00 177.93 180.36 2weg n THR 37 N -3.33 0.94 -1.69 2.45 -1.04 -0.88 -4.89 114.28 105.83 2weg n THR 37 Ca 0.01 -0.64 -0.41 0.00 -2.04 0.00 0.00 64.05 60.97 2weg n THR 37 Cb 0.70 -0.56 0.02 0.00 -1.82 0.00 0.00 70.33 68.67 2weg n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2weg n ALA 38 N -2.34 1.17 -2.93 2.41 0.00 -0.69 -4.87 120.51 113.26 2weg n ALA 38 Ca -0.07 0.24 -0.35 0.00 0.00 0.00 0.00 53.44 53.26 2weg n ALA 38 Cb 0.75 -2.25 -0.11 0.00 0.00 0.00 0.00 19.45 17.83 2weg n ALA 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2weg s LYS 39 N -2.27 3.78 0.18 0.00 2.47 -0.77 -4.83 119.74 118.30 2weg s LYS 39 Ca 0.63 -0.44 -0.32 0.00 -1.56 0.00 0.00 55.97 54.28 2weg s LYS 39 Cb -0.50 -3.11 -0.12 0.00 -1.46 0.00 0.00 37.83 32.64 2weg s LYS 39 CO 0.57 0.17 1.77 0.98 0.16 0.00 0.00 175.35 178.99 2weg n TYR 40 N 3.82 2.72 -3.94 4.03 9.36 -1.26 -0.71 117.16 131.17 2weg n TYR 40 Ca -0.17 -0.03 -0.33 0.00 3.32 0.00 0.00 57.90 60.70 2weg n TYR 40 Cb 0.52 -2.70 -0.14 0.00 -0.63 0.00 0.00 39.34 36.39 2weg n TYR 40 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2weg s ASP 41 N 1.70 4.92 0.14 2.98 -1.08 -0.37 -4.87 116.67 120.10 2weg s ASP 41 Ca 0.77 -2.12 0.17 0.00 -0.52 0.00 0.00 52.55 50.85 2weg s ASP 41 Cb -0.49 -1.69 0.75 0.00 -1.46 0.00 0.00 42.92 40.02 2weg s ASP 41 CO 0.34 -0.43 1.52 -0.81 0.52 0.00 0.00 175.17 176.31 2weg n PRO 42 N 4.35 0.09 0.00 4.34 -0.04 -1.26 -0.95 135.00 141.53 2weg n PRO 42 Ca 0.02 0.40 0.13 0.00 -0.04 0.00 0.00 63.50 64.00 2weg n PRO 42 Cb 0.42 -1.70 0.30 0.00 -0.04 0.00 0.00 33.50 32.48 2weg n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2weg n SER 43 N -1.87 1.24 -4.73 3.54 3.41 -1.26 -4.87 113.62 109.08 2weg n SER 43 Ca 0.02 -1.03 -0.42 0.00 -0.26 0.00 0.00 58.87 57.18 2weg n SER 43 Cb 0.15 0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 2weg n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2weg s LEU 44 N -2.49 4.37 0.47 1.04 1.43 -0.13 -5.02 118.68 118.35 2weg s LEU 44 Ca 0.23 2.59 -0.07 0.00 -1.03 0.00 0.00 54.13 55.86 2weg s LEU 44 Cb 0.19 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 2weg s LEU 44 CO 0.53 -0.77 0.80 -0.54 0.23 0.00 0.00 176.35 176.60 2weg s LYS 45 N 0.68 3.60 0.49 1.70 -0.14 -1.22 -4.97 119.74 119.89 2weg s LYS 45 Ca 0.66 0.30 -0.22 0.00 -1.36 0.00 0.00 55.97 55.35 2weg s LYS 45 Cb -0.42 -2.36 -0.08 0.00 -1.68 0.00 0.00 37.83 33.29 2weg s LYS 45 CO 0.35 -0.19 1.10 -2.30 -0.76 0.00 0.00 175.35 173.55 2weg n PRO 46 N -2.05 1.40 -1.60 -1.68 -0.02 -1.26 -2.84 135.00 126.95 2weg n PRO 46 Ca 0.01 0.51 -0.34 0.00 -2.02 0.00 0.00 63.50 61.67 2weg n PRO 46 Cb 0.55 -2.23 0.07 0.00 -0.02 0.00 0.00 33.50 31.87 2weg n PRO 46 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2weg s LEU 47 N -1.61 3.36 -0.25 2.45 1.43 -1.26 -2.19 118.68 120.61 2weg s LEU 47 Ca 0.67 2.20 0.03 0.00 -1.03 0.00 0.00 54.13 56.00 2weg s LEU 47 Cb -0.48 -4.57 0.06 0.00 0.03 0.00 0.00 46.19 41.22 2weg s LEU 47 CO 0.53 -1.96 -0.10 -0.55 0.23 0.00 0.00 176.35 174.50 2weg s SER 48 N -2.25 4.32 -0.32 2.29 0.15 0.00 -4.87 113.70 113.03 2weg s SER 48 Ca 0.71 -1.35 -0.08 0.00 0.70 0.00 0.00 55.95 55.93 2weg s SER 48 Cb -0.25 -1.48 0.01 0.00 -1.71 0.00 0.00 66.02 62.59 2weg s SER 48 CO 0.43 -0.20 0.13 -0.69 1.20 0.00 0.00 173.24 174.11 2weg s VAL 49 N 1.16 4.25 -0.49 4.45 1.01 -1.26 -1.04 120.40 128.48 2weg s VAL 49 Ca -0.08 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.22 2weg s VAL 49 Cb -0.20 -3.25 0.13 0.00 0.00 0.00 0.00 36.38 33.06 2weg s VAL 49 CO -0.05 -0.02 0.24 -0.44 0.00 0.00 0.00 175.10 174.82 2weg s SER 50 N 1.53 4.21 0.00 3.32 0.01 0.11 -4.90 113.70 117.99 2weg s SER 50 Ca 0.02 -2.85 0.09 0.00 1.31 0.00 0.00 55.95 54.52 2weg s SER 50 Cb -0.18 -1.51 0.23 0.00 0.21 0.00 0.00 66.02 64.78 2weg s SER 50 CO 0.04 -0.25 1.16 -1.22 0.41 0.00 0.00 173.24 173.38 2weg n TYR 51 N 3.31 0.34 0.21 2.43 4.01 -1.26 -1.39 117.16 124.81 2weg n TYR 51 Ca 0.05 -0.44 0.06 0.00 -0.16 0.00 0.00 57.90 57.42 2weg n TYR 51 Cb 0.33 -0.03 0.56 0.00 -0.31 0.00 0.00 39.34 39.89 2weg n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 2weg h ASP 52 N 1.70 0.07 -0.53 7.72 2.03 -1.91 -2.14 116.42 123.36 2weg h ASP 52 Ca 0.00 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 2weg h ASP 52 Cb 0.66 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 2weg h ASP 52 CO 0.00 0.12 0.00 1.67 -1.03 0.00 0.00 179.24 180.00 2weg n GLN 53 N -4.45 3.58 -1.76 4.15 -0.06 -1.19 -5.00 117.38 112.65 2weg n GLN 53 Ca -0.02 -2.79 -0.41 0.00 -2.00 0.00 0.00 57.00 51.78 2weg n GLN 53 Cb 0.15 -1.83 -0.00 0.00 -4.06 0.00 0.00 30.24 24.50 2weg n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2weg n ALA 54 N 0.71 2.20 -3.97 1.69 0.00 -0.81 -4.63 120.51 115.70 2weg n ALA 54 Ca 0.23 0.34 -0.31 0.00 0.00 0.00 0.00 53.44 53.70 2weg n ALA 54 Cb 0.85 -2.39 -0.15 0.00 0.00 0.00 0.00 19.45 17.76 2weg n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2weg s THR 55 N -1.12 2.13 0.54 0.00 2.01 -1.26 -4.94 115.64 113.00 2weg s THR 55 Ca 0.54 -2.38 -0.19 0.00 0.31 0.00 0.00 61.69 59.97 2weg s THR 55 Cb -0.49 -2.57 -0.06 0.00 0.01 0.00 0.00 72.50 69.40 2weg s THR 55 CO 0.63 -0.64 1.07 -0.94 -0.69 0.00 0.00 174.62 174.05 2weg s SER 56 N 0.80 5.98 0.00 3.53 1.04 -1.26 -0.86 113.70 122.93 2weg s SER 56 Ca 0.12 1.96 0.00 0.00 0.48 0.00 0.00 55.95 58.51 2weg s SER 56 Cb -0.20 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.36 2weg s SER 56 CO -0.09 -1.03 0.00 0.18 0.98 0.00 0.00 173.24 173.28 2weg n LEU 57 N -1.41 1.29 -3.51 2.42 4.77 0.66 -4.02 117.00 117.21 2weg n LEU 57 Ca 0.10 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.96 2weg n LEU 57 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 2weg n LEU 57 CO 0.43 0.19 0.30 -0.60 -1.33 0.00 0.00 177.39 176.39 2weg s ARG 58 N -1.96 1.19 -0.03 3.23 3.52 -1.21 -1.39 118.95 122.30 2weg s ARG 58 Ca 0.00 -0.54 0.04 0.00 -0.13 0.00 0.00 55.73 55.10 2weg s ARG 58 Cb 0.00 0.54 -0.01 0.00 -1.56 0.00 0.00 34.95 33.92 2weg s ARG 58 CO 0.00 -0.49 -0.16 -1.50 -0.81 0.00 0.00 175.30 172.34 2weg s ILE 59 N -3.68 1.27 -0.05 4.11 2.07 -0.17 -0.62 121.20 124.15 2weg s ILE 59 Ca 0.01 -0.66 0.01 0.00 -1.41 0.00 0.00 60.65 58.61 2weg s ILE 59 Cb 0.00 -1.08 0.02 0.00 0.13 0.00 0.00 42.46 41.53 2weg s ILE 59 CO -0.12 0.37 -0.05 -0.22 -1.91 0.00 0.00 174.94 173.01 2weg s LEU 60 N -0.13 1.35 -0.40 8.50 2.96 -0.24 -1.00 118.68 129.73 2weg s LEU 60 Ca 0.01 -0.15 -0.23 0.00 -0.22 0.00 0.00 54.13 53.54 2weg s LEU 60 Cb -0.09 -0.49 0.02 0.00 0.50 0.00 0.00 46.19 46.12 2weg s LEU 60 CO 0.01 -0.05 0.78 0.21 -1.32 0.00 0.00 176.35 175.98 2weg s ASN 61 N 0.92 6.49 -0.02 3.68 3.84 -0.19 -0.42 114.94 129.24 2weg s ASN 61 Ca -0.11 0.17 0.19 0.00 0.21 0.00 0.00 52.86 53.33 2weg s ASN 61 Cb -0.14 -2.39 0.59 0.00 -0.55 0.00 0.00 41.25 38.76 2weg s ASN 61 CO 0.00 -0.80 1.49 -0.46 -2.79 0.00 0.00 177.10 174.54 2weg n ASN 62 N 6.54 3.67 0.00 -4.21 0.23 -0.87 -0.39 115.26 120.23 2weg n ASN 62 Ca 0.03 -2.08 0.00 0.00 -0.53 0.00 0.00 54.58 51.99 2weg n ASN 62 Cb 0.48 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 2weg n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2weg n GLY 63 N 1.44 1.72 0.00 4.83 0.00 -1.26 -4.78 105.19 107.15 2weg n GLY 63 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2weg n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2weg n HIS 64 N -2.00 0.00 -3.21 1.61 8.25 -1.26 -4.73 115.22 113.88 2weg n HIS 64 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2weg n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2weg n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2weg n ALA 65 N -1.79 -0.03 -2.44 -1.41 0.00 -1.26 -4.87 120.51 108.71 2weg n ALA 65 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 53.44 53.10 2weg n ALA 65 Cb 0.41 0.01 -0.14 0.00 0.00 0.00 0.00 19.45 19.73 2weg n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2weg s PHE 66 N -7.53 2.61 -0.13 0.00 -0.71 -1.26 -2.05 117.98 108.91 2weg s PHE 66 Ca 0.00 -0.23 -0.01 0.00 -1.04 0.00 0.00 56.93 55.66 2weg s PHE 66 Cb -0.00 -1.59 -0.02 0.00 -1.21 0.00 0.00 43.02 40.20 2weg s PHE 66 CO 0.00 0.14 -0.11 -0.80 -1.34 0.00 0.00 175.22 173.11 2weg s ASN 67 N -0.74 4.24 -0.32 1.98 0.02 0.44 -4.24 114.94 116.32 2weg s ASN 67 Ca 0.11 -0.25 -0.19 0.00 -1.02 0.00 0.00 52.86 51.52 2weg s ASN 67 Cb -0.10 -1.56 -0.01 0.00 0.02 0.00 0.00 41.25 39.59 2weg s ASN 67 CO 0.00 0.19 0.55 -0.69 0.02 0.00 0.00 177.10 177.18 2weg s VAL 68 N 0.19 5.00 0.04 1.60 1.01 -0.03 -1.07 120.40 127.13 2weg s VAL 68 Ca -0.06 0.60 -0.00 0.00 0.00 0.00 0.00 61.98 62.52 2weg s VAL 68 Cb -0.15 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2weg s VAL 68 CO 0.04 -0.14 0.16 -1.61 0.00 0.00 0.00 175.10 173.55 2weg s GLU 69 N 2.46 3.27 0.20 2.72 2.02 0.21 -1.10 118.70 128.48 2weg s GLU 69 Ca 0.21 -0.47 0.11 0.00 0.02 0.00 0.00 54.97 54.85 2weg s GLU 69 Cb -0.15 -2.96 -0.04 0.00 0.10 0.00 0.00 34.13 31.07 2weg s GLU 69 CO 0.12 0.62 -0.22 -0.06 0.02 0.00 0.00 175.26 175.74 2weg s PHE 70 N -1.39 2.22 -0.38 1.61 0.40 -0.30 -0.25 117.98 119.90 2weg s PHE 70 Ca 0.30 -0.37 -0.28 0.00 -0.60 0.00 0.00 56.93 55.97 2weg s PHE 70 Cb -0.13 -1.08 -0.02 0.00 0.51 0.00 0.00 43.02 42.31 2weg s PHE 70 CO 0.22 0.51 1.77 0.34 0.70 0.00 0.00 175.22 178.76 2weg s ASP 71 N -2.81 5.84 -0.29 1.36 2.15 -0.04 -4.85 116.67 118.04 2weg s ASP 71 Ca 0.21 1.12 0.10 0.00 0.43 0.00 0.00 52.55 54.42 2weg s ASP 71 Cb -0.07 -2.53 0.55 0.00 -0.30 0.00 0.00 42.92 40.57 2weg s ASP 71 CO 0.10 -1.78 1.54 -0.90 -0.17 0.00 0.00 175.17 173.95 2weg n ASP 72 N 10.52 3.15 -0.64 -0.34 5.75 -1.26 -4.60 116.55 129.13 2weg n ASP 72 Ca 0.22 -3.53 0.11 0.00 -0.01 0.00 0.00 54.79 51.58 2weg n ASP 72 Cb 0.48 -0.65 0.35 0.00 -1.03 0.00 0.00 41.12 40.27 2weg n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2weg n SER 73 N -0.91 1.91 -3.78 -1.12 3.41 -1.26 -4.89 113.62 106.98 2weg n SER 73 Ca 0.34 -1.75 -0.10 0.00 -0.26 0.00 0.00 58.87 57.11 2weg n SER 73 Cb 1.11 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.89 2weg n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2weg s GLN 74 N -1.76 1.25 -1.07 4.33 -0.21 -1.26 -5.07 119.66 115.88 2weg s GLN 74 Ca 0.33 -0.92 -0.15 0.00 0.02 0.00 0.00 55.36 54.64 2weg s GLN 74 Cb 0.18 0.47 -0.08 0.00 1.00 0.00 0.00 33.01 34.58 2weg s GLN 74 CO 0.27 -0.50 2.16 -0.25 -2.12 0.00 0.00 175.29 174.84 2weg n ASP 75 N -0.28 4.08 0.01 5.90 8.00 -1.26 -4.64 116.55 128.36 2weg n ASP 75 Ca -0.10 -2.62 -0.17 0.00 0.71 0.00 0.00 54.79 52.60 2weg n ASP 75 Cb 0.63 -1.29 -0.14 0.00 -0.02 0.00 0.00 41.12 40.30 2weg n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2weg h LYS 76 N 6.75 0.20 -3.16 -1.24 1.57 -1.87 -3.43 116.57 115.39 2weg h LYS 76 Ca 0.53 -0.34 -0.46 0.00 -1.87 0.00 0.00 60.65 58.51 2weg h LYS 76 Cb 0.50 0.13 -0.41 0.00 0.08 0.00 0.00 32.23 32.53 2weg h LYS 76 CO 1.81 1.01 -0.75 0.00 -0.57 0.00 0.00 179.45 180.94 2weg s ALA 77 N -2.58 0.50 0.09 3.86 0.00 -1.26 -2.83 121.76 119.55 2weg s ALA 77 Ca -0.15 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 51.54 2weg s ALA 77 Cb 0.07 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 2weg s ALA 77 CO 0.80 -1.10 -0.12 0.14 0.00 0.00 0.00 175.76 175.49 2weg s VAL 78 N 2.09 1.04 -0.05 0.00 -7.23 -0.48 -0.53 120.40 115.24 2weg s VAL 78 Ca 0.02 -1.54 0.06 0.00 -1.81 0.00 0.00 61.98 58.71 2weg s VAL 78 Cb -0.16 -1.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.49 2weg s VAL 78 CO -0.08 -0.43 -0.22 -0.22 -0.31 0.00 0.00 175.10 173.83 2weg s LEU 79 N -2.22 2.24 0.30 1.32 2.96 0.39 -0.71 118.68 122.96 2weg s LEU 79 Ca 0.03 -0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 53.44 2weg s LEU 79 Cb -0.06 -1.41 0.00 0.00 0.50 0.00 0.00 46.19 45.22 2weg s LEU 79 CO 0.01 0.29 0.49 -1.59 -1.32 0.00 0.00 176.35 174.23 2weg s LYS 80 N -0.40 1.75 1.97 1.98 -2.85 -0.20 -1.42 119.74 120.57 2weg s LYS 80 Ca 0.04 -1.51 0.00 0.00 -1.00 0.00 0.00 55.97 53.50 2weg s LYS 80 Cb -0.12 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 2weg s LYS 80 CO 0.02 -0.73 0.00 0.41 0.10 0.00 0.00 175.35 175.14 2weg n GLY 81 N -0.47 -1.20 7.00 0.59 0.00 -1.26 -0.82 105.19 109.04 2weg n GLY 81 Ca -0.01 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2weg n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2weg n GLY 82 N 0.00 3.32 0.02 -0.02 0.00 -0.93 -0.84 105.19 106.75 2weg n GLY 82 Ca 0.00 -0.22 0.16 0.00 0.00 0.00 0.00 46.02 45.96 2weg n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2weg n PRO 83 N 14.00 0.89 -3.08 1.61 -0.04 -1.26 -3.46 135.00 143.66 2weg n PRO 83 Ca 0.00 -0.05 -0.33 0.00 -0.04 0.00 0.00 63.50 63.08 2weg n PRO 83 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2weg n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2weg s LEU 84 N -2.14 4.09 -0.19 1.53 1.43 -0.02 -5.06 118.68 118.31 2weg s LEU 84 Ca 0.43 1.36 -0.05 0.00 -1.03 0.00 0.00 54.13 54.84 2weg s LEU 84 Cb 0.22 -4.08 -0.02 0.00 0.03 0.00 0.00 46.19 42.33 2weg s LEU 84 CO 0.39 -0.19 -0.01 -1.81 0.23 0.00 0.00 176.35 174.96 2weg s ASP 85 N -2.17 4.83 0.00 2.29 -0.00 -1.26 -4.24 116.67 116.12 2weg s ASP 85 Ca 0.54 -0.18 0.00 0.00 -0.00 0.00 0.00 52.55 52.90 2weg s ASP 85 Cb -0.11 -1.82 0.00 0.00 -0.00 0.00 0.00 42.92 40.99 2weg s ASP 85 CO 0.17 0.09 0.00 0.61 -0.00 0.00 0.00 175.17 176.04 2weg n GLY 86 N 4.09 -1.84 3.34 0.21 0.00 -1.26 -4.94 105.19 104.79 2weg n GLY 86 Ca -0.17 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.73 2weg n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2weg s THR 87 N 0.00 2.66 -0.11 2.61 2.01 -1.26 -4.50 115.64 117.04 2weg s THR 87 Ca 0.00 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.20 2weg s THR 87 Cb 0.00 -2.06 0.01 0.00 0.01 0.00 0.00 72.50 70.46 2weg s THR 87 CO 0.00 0.55 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.98 2weg s TYR 88 N 0.08 2.30 -0.14 4.92 1.51 -0.51 -1.07 117.35 124.44 2weg s TYR 88 Ca -0.08 -1.06 -0.12 0.00 -1.01 0.00 0.00 57.07 54.80 2weg s TYR 88 Cb -0.15 -1.59 -0.05 0.00 -0.11 0.00 0.00 41.96 40.06 2weg s TYR 88 CO 0.05 -0.49 0.23 0.50 -1.11 0.00 0.00 175.55 174.73 2weg s ARG 89 N 0.75 4.04 0.10 -0.62 3.52 0.17 -0.46 118.95 126.44 2weg s ARG 89 Ca -0.10 0.01 -0.31 0.00 -0.13 0.00 0.00 55.73 55.19 2weg s ARG 89 Cb -0.16 -3.35 -0.08 0.00 -1.56 0.00 0.00 34.95 29.79 2weg s ARG 89 CO 0.01 0.41 1.56 -1.17 -0.81 0.00 0.00 175.30 175.31 2weg s LEU 90 N -0.03 4.36 -0.15 -0.88 2.96 0.30 -1.16 118.68 124.08 2weg s LEU 90 Ca 0.15 2.46 0.02 0.00 -0.22 0.00 0.00 54.13 56.53 2weg s LEU 90 Cb -0.13 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.88 2weg s LEU 90 CO 0.03 -0.81 -0.13 0.00 -1.32 0.00 0.00 176.35 174.12 2weg n ILE 91 N 4.38 0.89 -3.48 6.68 3.06 -0.29 -4.47 119.36 126.13 2weg n ILE 91 Ca 0.14 -0.35 -0.09 0.00 -2.50 0.00 0.00 62.75 59.95 2weg n ILE 91 Cb 0.41 -1.03 -0.02 0.00 0.54 0.00 0.00 39.64 39.53 2weg n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2weg s GLN 92 N -2.31 0.95 0.23 9.51 1.03 -1.22 -1.15 119.66 126.70 2weg s GLN 92 Ca -0.20 -0.34 0.07 0.00 0.04 0.00 0.00 55.36 54.93 2weg s GLN 92 Cb 0.05 0.44 -0.05 0.00 0.03 0.00 0.00 33.01 33.48 2weg s GLN 92 CO 0.37 -0.41 -0.12 -0.59 -2.54 0.00 0.00 175.29 172.00 2weg s PHE 93 N -3.28 1.78 0.36 9.60 -0.12 -0.26 -0.82 117.98 125.25 2weg s PHE 93 Ca 0.04 -0.61 -0.16 0.00 -0.05 0.00 0.00 56.93 56.15 2weg s PHE 93 Cb -0.01 -0.89 0.04 0.00 -0.63 0.00 0.00 43.02 41.54 2weg s PHE 93 CO -0.10 0.33 0.75 -3.38 -0.05 0.00 0.00 175.22 172.77 2weg s HIS 94 N -2.99 0.13 0.24 3.49 -3.43 -0.71 -0.85 115.29 111.16 2weg s HIS 94 Ca 0.25 -0.73 0.06 0.00 -0.80 0.00 0.00 55.06 53.83 2weg s HIS 94 Cb 0.01 0.74 -0.05 0.00 -1.43 0.00 0.00 32.58 31.84 2weg s HIS 94 CO 0.08 -1.47 -0.06 -0.06 -2.00 0.00 0.00 174.74 171.24 2weg s PHE 95 N -2.70 1.72 -0.01 0.38 0.40 -1.26 -0.52 117.98 115.98 2weg s PHE 95 Ca 0.16 -0.75 0.05 0.00 -0.60 0.00 0.00 56.93 55.78 2weg s PHE 95 Cb -0.05 -0.95 -0.01 0.00 0.51 0.00 0.00 43.02 42.52 2weg s PHE 95 CO 0.11 0.17 -0.17 -1.01 0.70 0.00 0.00 175.22 175.02 2weg s HIS 96 N -3.17 1.53 0.28 0.36 3.76 -0.11 -4.72 115.29 113.22 2weg s HIS 96 Ca 0.27 -0.30 -0.09 0.00 -0.15 0.00 0.00 55.06 54.79 2weg s HIS 96 Cb 0.03 -0.99 -0.00 0.00 1.11 0.00 0.00 32.58 32.74 2weg s HIS 96 CO 0.09 -0.03 0.47 1.67 -0.85 0.00 0.00 174.74 176.08 2weg s TRP 97 N -0.37 0.62 0.44 1.40 -2.14 -1.21 -1.04 118.94 116.64 2weg s TRP 97 Ca 0.06 -0.95 0.07 0.00 2.66 0.00 0.00 56.10 57.95 2weg s TRP 97 Cb -0.07 0.09 -0.01 0.00 -3.10 0.00 0.00 33.47 30.38 2weg s TRP 97 CO -0.01 -1.04 0.39 0.20 -2.66 0.00 0.00 176.95 173.84 2weg s GLY 98 N -3.10 2.17 0.17 3.67 0.00 -1.16 -0.94 107.32 108.12 2weg s GLY 98 Ca 0.26 -1.82 0.26 0.00 0.00 0.00 0.00 44.72 43.42 2weg s GLY 98 CO 0.13 -1.75 1.75 -1.14 0.00 0.00 0.00 173.10 172.09 2weg n SER 99 N -1.60 0.68 -4.05 1.64 3.41 -1.26 -4.32 113.62 108.11 2weg n SER 99 Ca 0.03 0.50 -0.08 0.00 -0.26 0.00 0.00 58.87 59.07 2weg n SER 99 Cb 0.62 -0.63 -0.10 0.00 -0.26 0.00 0.00 64.21 63.84 2weg n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2weg s LEU 100 N -4.24 2.40 0.55 1.04 1.43 -1.26 -5.05 118.68 113.54 2weg s LEU 100 Ca 0.11 -0.83 0.34 0.00 -1.03 0.00 0.00 54.13 52.72 2weg s LEU 100 Cb 0.14 0.17 1.43 0.00 0.03 0.00 0.00 46.19 47.96 2weg s LEU 100 CO 0.60 -0.50 2.00 0.44 0.23 0.00 0.00 176.35 179.12 2weg h ASP 101 N 3.66 0.00 0.00 2.29 3.32 -1.92 -2.62 116.42 121.15 2weg h ASP 101 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2weg h ASP 101 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2weg h ASP 101 CO 0.57 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.70 2weg n GLY 102 N -0.05 -0.82 3.52 2.75 0.00 -1.26 -3.53 105.19 105.79 2weg n GLY 102 Ca 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 2weg n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2weg s GLN 103 N -2.00 1.39 0.00 1.61 -2.07 -0.99 -4.72 119.66 112.89 2weg s GLN 103 Ca 0.38 -0.94 0.00 0.00 -1.82 0.00 0.00 55.36 52.99 2weg s GLN 103 Cb 0.18 0.50 0.00 0.00 -1.09 0.00 0.00 33.01 32.60 2weg s GLN 103 CO 0.30 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 174.09 2weg n GLY 104 N -0.34 1.49 3.81 2.60 0.00 -1.01 -3.23 105.19 108.52 2weg n GLY 104 Ca -0.09 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 2weg n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2weg s SER 105 N 0.00 5.45 -0.14 1.61 1.04 -0.41 -3.35 113.70 117.90 2weg s SER 105 Ca 0.00 1.69 -0.10 0.00 0.48 0.00 0.00 55.95 58.01 2weg s SER 105 Cb 0.00 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 2weg s SER 105 CO 0.00 -1.39 -0.20 -0.62 0.98 0.00 0.00 173.24 172.01 2weg n GLU 106 N -2.82 0.44 -1.57 4.02 1.02 -1.26 -4.85 120.64 115.62 2weg n GLU 106 Ca 0.08 0.45 -0.33 0.00 -0.02 0.00 0.00 57.16 57.34 2weg n GLU 106 Cb 0.53 -1.60 0.07 0.00 -0.02 0.00 0.00 31.44 30.42 2weg n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2weg s HIS 107 N -2.31 2.46 0.18 -0.32 3.76 -1.26 -4.22 115.29 113.58 2weg s HIS 107 Ca -0.17 1.57 0.05 0.00 -0.15 0.00 0.00 55.06 56.37 2weg s HIS 107 Cb 0.02 -3.22 -0.05 0.00 1.11 0.00 0.00 32.58 30.45 2weg s HIS 107 CO 0.25 -1.93 -0.09 0.95 -0.85 0.00 0.00 174.74 173.06 2weg s THR 108 N -2.37 1.30 -0.22 1.30 -4.23 -1.17 -4.69 115.64 105.55 2weg s THR 108 Ca 0.67 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 2weg s THR 108 Cb -0.22 -1.99 0.06 0.00 1.34 0.00 0.00 72.50 71.69 2weg s THR 108 CO 0.45 -0.63 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.15 2weg s VAL 109 N -3.25 1.46 -1.52 2.29 1.01 -0.76 -0.37 120.40 119.26 2weg s VAL 109 Ca 0.20 -1.09 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 2weg s VAL 109 Cb 0.02 -1.69 0.07 0.00 0.00 0.00 0.00 36.38 34.78 2weg s VAL 109 CO 0.04 -0.04 0.74 0.47 0.00 0.00 0.00 175.10 176.31 2weg n ASP 110 N 4.71 -2.72 0.00 3.32 8.00 0.12 -0.66 116.55 129.32 2weg n ASP 110 Ca -0.12 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.47 2weg n ASP 110 Cb 0.45 -3.38 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 2weg n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2weg n LYS 111 N -4.47 0.00 -2.35 -1.24 4.76 -1.26 -4.99 118.16 108.60 2weg n LYS 111 Ca -0.09 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.94 2weg n LYS 111 Cb 0.58 -3.05 -0.03 0.00 -1.84 0.00 0.00 35.03 30.69 2weg n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2weg s LYS 112 N -0.27 4.43 -0.12 1.97 2.20 0.16 -4.99 119.74 123.12 2weg s LYS 112 Ca 0.00 1.88 -0.13 0.00 -0.36 0.00 0.00 55.97 57.35 2weg s LYS 112 Cb 0.00 -3.28 -0.05 0.00 -1.51 0.00 0.00 37.83 32.99 2weg s LYS 112 CO 0.00 -0.22 0.31 0.15 -0.36 0.00 0.00 175.35 175.22 2weg s LYS 113 N 0.52 4.09 0.57 4.03 1.02 -1.26 -1.82 119.74 126.89 2weg s LYS 113 Ca 0.57 0.15 -0.02 0.00 0.02 0.00 0.00 55.97 56.70 2weg s LYS 113 Cb -0.32 -3.36 0.03 0.00 -0.52 0.00 0.00 37.83 33.66 2weg s LYS 113 CO 0.33 0.39 0.83 0.71 -0.92 0.00 0.00 175.35 176.68 2weg s TYR 114 N -0.02 2.98 0.29 3.18 2.02 -1.26 -4.65 117.35 119.89 2weg s TYR 114 Ca 0.18 0.21 0.22 0.00 -0.37 0.00 0.00 57.07 57.32 2weg s TYR 114 Cb -0.14 -2.77 1.04 0.00 -0.40 0.00 0.00 41.96 39.69 2weg s TYR 114 CO 0.06 -0.90 1.90 0.00 -1.57 0.00 0.00 175.55 175.04 2weg h ALA 115 N -0.05 1.17 -2.50 3.71 0.00 -1.44 -1.00 119.26 119.16 2weg h ALA 115 Ca -0.44 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 54.41 2weg h ALA 115 Cb 1.29 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 2weg h ALA 115 CO 0.56 0.30 0.44 0.00 0.00 0.00 0.00 179.25 180.54 2weg s ALA 116 N -3.94 -1.53 -0.09 0.00 0.00 -1.12 -3.01 121.76 112.06 2weg s ALA 116 Ca -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.87 2weg s ALA 116 Cb 0.12 0.69 0.04 0.00 0.00 0.00 0.00 23.12 23.97 2weg s ALA 116 CO 0.64 -1.04 0.22 -2.00 0.00 0.00 0.00 175.76 173.58 2weg s GLU 117 N -3.29 0.18 -0.09 0.00 2.12 -0.20 -1.15 118.70 116.27 2weg s GLU 117 Ca 0.13 0.47 -0.15 0.00 0.36 0.00 0.00 54.97 55.78 2weg s GLU 117 Cb -0.02 -0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.20 2weg s GLU 117 CO 0.04 -0.15 0.38 -1.17 -0.54 0.00 0.00 175.26 173.81 2weg s LEU 118 N 1.15 4.34 -0.21 2.70 2.96 0.30 -0.93 118.68 128.99 2weg s LEU 118 Ca -0.09 0.75 0.02 0.00 -0.22 0.00 0.00 54.13 54.59 2weg s LEU 118 Cb -0.10 -2.52 0.03 0.00 0.50 0.00 0.00 46.19 44.10 2weg s LEU 118 CO -0.07 0.17 -0.17 -1.00 -1.32 0.00 0.00 176.35 173.96 2weg s HIS 119 N -0.13 2.94 -0.40 5.38 3.76 0.33 -0.87 115.29 126.29 2weg s HIS 119 Ca 0.22 -1.85 -0.16 0.00 -0.15 0.00 0.00 55.06 53.12 2weg s HIS 119 Cb -0.15 -1.93 0.01 0.00 1.11 0.00 0.00 32.58 31.63 2weg s HIS 119 CO 0.09 -0.83 0.35 -0.51 -0.85 0.00 0.00 174.74 173.00 2weg s LEU 120 N 1.23 4.88 -0.20 0.89 1.43 -0.06 -1.75 118.68 125.11 2weg s LEU 120 Ca 0.01 -0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 52.29 2weg s LEU 120 Cb -0.15 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 2weg s LEU 120 CO -0.10 -0.47 0.24 -0.69 0.23 0.00 0.00 176.35 175.56 2weg s VAL 121 N 1.90 5.33 0.03 -1.59 1.01 0.00 -1.20 120.40 125.87 2weg s VAL 121 Ca 0.09 0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.49 2weg s VAL 121 Cb -0.18 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 2weg s VAL 121 CO 0.12 0.36 -0.10 -1.00 0.00 0.00 0.00 175.10 174.48 2weg s HIS 122 N 0.75 0.86 0.10 5.22 3.76 -0.32 -1.14 115.29 124.52 2weg s HIS 122 Ca 0.13 -0.32 0.09 0.00 -0.15 0.00 0.00 55.06 54.81 2weg s HIS 122 Cb -0.13 -0.52 -0.04 0.00 1.11 0.00 0.00 32.58 33.00 2weg s HIS 122 CO 0.03 -0.01 -0.22 1.67 -0.85 0.00 0.00 174.74 175.36 2weg s TRP 123 N -0.79 2.44 -0.12 1.40 1.48 -0.31 -0.83 118.94 122.21 2weg s TRP 123 Ca -0.02 -0.32 -0.29 0.00 -1.06 0.00 0.00 56.10 54.41 2weg s TRP 123 Cb -0.07 -1.34 -0.03 0.00 -1.16 0.00 0.00 33.47 30.87 2weg s TRP 123 CO 0.01 0.31 1.45 1.21 -4.06 0.00 0.00 176.95 175.87 2weg s ASN 124 N -1.86 6.80 0.35 -2.66 3.84 0.77 -0.66 114.94 121.52 2weg s ASN 124 Ca 0.15 1.93 0.26 0.00 0.21 0.00 0.00 52.86 55.41 2weg s ASN 124 Cb -0.10 -2.54 1.21 0.00 -0.55 0.00 0.00 41.25 39.28 2weg s ASN 124 CO 0.07 -0.85 1.78 0.71 -2.79 0.00 0.00 177.10 176.01 2weg h THR 125 N 5.55 0.00 0.00 -5.21 1.35 -1.44 -1.59 112.91 111.57 2weg h THR 125 Ca -0.32 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2weg h THR 125 Cb 1.14 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 2weg h THR 125 CO 0.96 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.52 2weg n LYS 127 N -2.40 0.11 0.00 4.72 2.85 -1.26 -2.00 118.16 120.17 2weg n LYS 127 Ca 0.00 0.39 0.11 0.00 -1.05 0.00 0.00 58.31 57.76 2weg n LYS 127 Cb 0.15 -1.73 0.06 0.00 -0.65 0.00 0.00 35.03 32.87 2weg n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2weg n TYR 128 N -1.94 0.00 0.00 5.58 4.01 -0.60 -5.01 117.16 119.21 2weg n TYR 128 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2weg n TYR 128 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 2weg n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2weg n GLY 129 N 1.33 1.56 3.58 2.72 0.00 -0.85 -4.52 105.19 109.01 2weg n GLY 129 Ca 0.12 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 2weg n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2weg s ASP 130 N 0.00 -0.11 0.15 1.61 1.47 -1.26 -5.06 116.67 113.46 2weg s ASP 130 Ca 0.00 -0.85 -0.13 0.00 1.18 0.00 0.00 52.55 52.75 2weg s ASP 130 Cb 0.00 0.58 0.02 0.00 -0.34 0.00 0.00 42.92 43.18 2weg s ASP 130 CO 0.00 -1.13 1.64 0.15 0.68 0.00 0.00 175.17 176.51 2weg h PHE 131 N 2.25 0.84 -0.20 2.11 3.57 -1.95 -1.03 116.94 122.53 2weg h PHE 131 Ca -0.26 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.10 2weg h PHE 131 Cb 1.25 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 2weg h PHE 131 CO 0.39 0.77 0.01 0.78 -2.23 0.00 0.00 178.31 178.04 2weg h GLY 132 N 0.67 0.30 1.55 2.40 0.00 -1.97 -1.53 103.07 104.50 2weg h GLY 132 Ca 0.15 -0.15 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 2weg h GLY 132 CO 0.01 0.14 -0.97 0.50 0.00 0.00 0.00 176.54 176.21 2weg h LYS 133 N 0.28 0.39 -0.76 4.80 1.79 -1.77 -3.32 116.57 117.99 2weg h LYS 133 Ca 0.07 -0.44 -0.05 0.00 -2.18 0.00 0.00 60.65 58.04 2weg h LYS 133 Cb 0.17 0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.92 2weg h LYS 133 CO 0.00 1.12 0.26 0.00 -1.08 0.00 0.00 179.45 179.75 2weg h ALA 134 N 0.72 1.03 0.00 3.86 0.00 -0.31 -2.04 119.26 122.52 2weg h ALA 134 Ca -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2weg h ALA 134 Cb 1.62 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2weg h ALA 134 CO 0.17 0.66 0.00 1.33 0.00 0.00 0.00 179.25 181.41 2weg n VAL 135 N -4.26 0.81 1.06 0.00 0.24 -0.66 -1.60 118.33 113.92 2weg n VAL 135 Ca 0.06 0.20 0.07 0.00 -2.04 0.00 0.00 64.34 62.64 2weg n VAL 135 Cb 0.21 -0.97 0.22 0.00 -1.47 0.00 0.00 33.84 31.83 2weg n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2weg n GLN 136 N -1.38 1.73 -4.47 7.34 6.02 -0.77 -4.65 117.38 121.20 2weg n GLN 136 Ca 0.05 -1.12 -0.26 0.00 -0.01 0.00 0.00 57.00 55.66 2weg n GLN 136 Cb 0.13 -1.29 -0.13 0.00 1.02 0.00 0.00 30.24 29.97 2weg n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2weg s GLN 137 N -1.64 1.32 0.56 -1.09 -1.52 -0.63 -5.03 119.66 111.63 2weg s GLN 137 Ca 0.25 -1.13 0.35 0.00 -1.95 0.00 0.00 55.36 52.87 2weg s GLN 137 Cb 0.13 -1.58 1.47 0.00 -0.22 0.00 0.00 33.01 32.81 2weg s GLN 137 CO 0.18 0.38 2.02 -1.00 -0.25 0.00 0.00 175.29 176.63 2weg h PRO 138 N 4.34 0.00 -0.52 2.91 0.13 -1.86 -2.12 132.00 134.88 2weg h PRO 138 Ca -0.46 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.29 2weg h PRO 138 Cb 1.17 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.02 2weg h PRO 138 CO 0.41 0.01 -0.62 -0.40 -0.23 0.00 0.00 178.00 177.17 2weg n ASP 139 N -3.10 3.96 0.10 1.44 5.75 -1.26 -4.19 116.55 119.24 2weg n ASP 139 Ca 0.00 -3.80 -0.18 0.00 -0.01 0.00 0.00 54.79 50.81 2weg n ASP 139 Cb 0.28 -0.44 -0.11 0.00 -1.03 0.00 0.00 41.12 39.82 2weg n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2weg h GLY 140 N 1.76 0.47 -3.26 6.12 0.00 -1.07 -3.43 103.07 103.67 2weg h GLY 140 Ca 0.26 -1.04 -0.63 0.00 0.00 0.00 0.00 47.33 45.93 2weg h GLY 140 CO 0.55 0.91 -0.82 1.08 0.00 0.00 0.00 176.54 178.26 2weg s LEU 141 N -7.52 2.43 -0.10 3.11 1.43 -0.02 -0.16 118.68 117.85 2weg s LEU 141 Ca -0.06 -0.86 0.01 0.00 -1.03 0.00 0.00 54.13 52.19 2weg s LEU 141 Cb 0.07 -1.11 0.02 0.00 0.03 0.00 0.00 46.19 45.20 2weg s LEU 141 CO 0.90 0.10 -0.11 0.00 0.23 0.00 0.00 176.35 177.47 2weg s ALA 142 N -1.70 1.38 -0.17 4.21 0.00 -0.01 -0.79 121.76 124.70 2weg s ALA 142 Ca 0.19 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 2weg s ALA 142 Cb -0.08 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 2weg s ALA 142 CO 0.09 -0.16 -0.11 0.08 0.00 0.00 0.00 175.76 175.66 2weg s VAL 143 N 1.18 3.02 -0.36 0.00 1.01 -0.85 -1.18 120.40 123.22 2weg s VAL 143 Ca -0.04 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.11 2weg s VAL 143 Cb -0.14 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 33.93 2weg s VAL 143 CO -0.03 0.49 0.50 -0.22 0.00 0.00 0.00 175.10 175.85 2weg s LEU 144 N 0.85 4.39 -0.12 3.92 2.96 -0.34 -1.32 118.68 129.01 2weg s LEU 144 Ca -0.03 -0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 53.74 2weg s LEU 144 Cb -0.15 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 2weg s LEU 144 CO 0.00 -0.48 0.04 -0.83 -1.32 0.00 0.00 176.35 173.76 2weg s GLY 145 N 1.77 1.93 -0.06 7.98 0.00 0.41 -0.88 107.32 118.46 2weg s GLY 145 Ca 0.18 -0.76 -0.01 0.00 0.00 0.00 0.00 44.72 44.14 2weg s GLY 145 CO 0.13 -0.37 -0.00 -0.42 0.00 0.00 0.00 173.10 172.44 2weg s ILE 146 N -0.59 0.37 0.47 0.90 1.01 -0.05 -0.82 121.20 122.50 2weg s ILE 146 Ca 0.11 0.09 -0.21 0.00 0.00 0.00 0.00 60.65 60.63 2weg s ILE 146 Cb -0.12 -0.50 -0.08 0.00 0.01 0.00 0.00 42.46 41.77 2weg s ILE 146 CO 0.02 0.24 1.06 -0.36 0.00 0.00 0.00 174.94 175.90 2weg s PHE 147 N 1.71 3.01 -0.13 3.97 0.08 -1.26 -0.54 117.98 124.82 2weg s PHE 147 Ca 0.01 1.58 0.02 0.00 0.12 0.00 0.00 56.93 58.66 2weg s PHE 147 Cb -0.13 -3.11 -0.00 0.00 -0.57 0.00 0.00 43.02 39.21 2weg s PHE 147 CO -0.04 -0.90 -0.19 -0.51 -0.10 0.00 0.00 175.22 173.49 2weg s LEU 148 N -3.34 2.36 0.16 -0.37 1.02 -0.30 -0.73 118.68 117.49 2weg s LEU 148 Ca 0.66 -0.48 0.08 0.00 0.02 0.00 0.00 54.13 54.41 2weg s LEU 148 Cb -0.19 -1.51 -0.04 0.00 0.02 0.00 0.00 46.19 44.47 2weg s LEU 148 CO 0.23 0.13 -0.10 -1.59 0.02 0.00 0.00 176.35 175.04 2weg s LYS 149 N 0.54 2.07 -0.15 1.70 -2.85 -0.33 -1.95 119.74 118.77 2weg s LYS 149 Ca -0.11 -1.21 -0.23 0.00 -1.00 0.00 0.00 55.97 53.41 2weg s LYS 149 Cb -0.16 -2.19 -0.02 0.00 -2.06 0.00 0.00 37.83 33.39 2weg s LYS 149 CO 0.04 0.45 0.73 0.08 0.10 0.00 0.00 175.35 176.75 2weg s VAL 150 N -1.59 4.97 0.00 1.79 1.01 -1.26 -0.96 120.40 124.36 2weg s VAL 150 Ca 0.24 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.66 2weg s VAL 150 Cb -0.09 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2weg s VAL 150 CO 0.15 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.97 2weg n GLY 151 N 3.46 0.39 3.76 4.51 0.00 0.71 -4.91 105.19 113.11 2weg n GLY 151 Ca 0.01 0.50 -0.34 0.00 0.00 0.00 0.00 46.02 46.19 2weg n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2weg s SER 152 N 2.00 5.12 0.62 1.61 1.04 -1.26 -4.10 113.70 118.73 2weg s SER 152 Ca 0.00 2.16 -0.17 0.00 0.48 0.00 0.00 55.95 58.41 2weg s SER 152 Cb 0.00 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.53 2weg s SER 152 CO 0.00 -1.63 1.16 0.00 0.98 0.00 0.00 173.24 173.75 2weg s ALA 153 N -2.04 2.50 -0.47 5.32 0.00 -1.26 -2.26 121.76 123.55 2weg s ALA 153 Ca 0.71 0.82 -0.16 0.00 0.00 0.00 0.00 51.96 53.33 2weg s ALA 153 Cb -0.24 -3.40 0.07 0.00 0.00 0.00 0.00 23.12 19.55 2weg s ALA 153 CO 0.37 -1.20 0.42 0.21 0.00 0.00 0.00 175.76 175.57 2weg s LYS 154 N -3.60 3.00 0.39 0.00 2.47 -1.17 -4.79 119.74 116.04 2weg s LYS 154 Ca 0.73 -1.26 0.09 0.00 -1.56 0.00 0.00 55.97 53.97 2weg s LYS 154 Cb -0.26 -4.12 0.81 0.00 -1.46 0.00 0.00 37.83 32.81 2weg s LYS 154 CO 0.35 -1.03 1.95 -1.35 0.16 0.00 0.00 175.35 175.43 2weg h PRO 155 N 8.78 0.30 0.00 4.03 0.11 -1.90 -1.53 132.00 141.79 2weg h PRO 155 Ca -0.28 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2weg h PRO 155 Cb 1.11 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2weg h PRO 155 CO 0.88 0.37 0.00 0.41 -0.21 0.00 0.00 178.00 179.45 2weg n GLY 156 N -1.02 -1.07 0.16 -0.55 0.00 -1.26 -2.05 105.19 99.41 2weg n GLY 156 Ca -0.00 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.02 2weg n GLY 156 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2weg h LEU 157 N 0.00 0.00 -1.21 0.99 5.85 -1.50 -3.41 115.31 116.03 2weg h LEU 157 Ca 0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2weg h LEU 157 Cb 0.23 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2weg h LEU 157 CO 0.00 0.05 0.04 -0.61 -0.34 0.00 0.00 178.44 177.58 2weg h GLN 158 N 0.00 0.58 -0.31 1.25 5.75 -1.46 -0.95 115.11 119.98 2weg h GLN 158 Ca -0.01 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.35 2weg h GLN 158 Cb 1.04 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.49 2weg h GLN 158 CO 0.01 0.58 0.07 0.87 -2.65 0.00 0.00 178.83 177.70 2weg h LYS 159 N 0.56 0.44 0.04 1.69 1.57 -1.79 -0.60 116.57 118.49 2weg h LYS 159 Ca 0.12 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2weg h LYS 159 Cb 0.30 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2weg h LYS 159 CO 0.01 0.42 -0.02 0.28 -0.57 0.00 0.00 179.45 179.56 2weg h VAL 160 N 0.44 1.18 -0.98 0.50 2.07 -1.48 -3.17 116.25 114.81 2weg h VAL 160 Ca 0.10 -0.73 0.13 0.00 0.82 0.00 0.00 66.70 67.02 2weg h VAL 160 Cb 0.18 1.67 -0.09 0.00 -1.52 0.00 0.00 31.29 31.53 2weg h VAL 160 CO -0.00 0.19 0.60 0.58 0.02 0.00 0.00 177.57 178.95 2weg h VAL 161 N -0.38 0.88 0.00 2.57 2.07 -0.80 -2.46 116.25 118.12 2weg h VAL 161 Ca -0.01 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2weg h VAL 161 Cb 0.35 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2weg h VAL 161 CO 0.01 0.17 0.00 0.44 0.02 0.00 0.00 177.57 178.21 2weg h ASP 162 N 0.92 0.00 0.15 0.57 3.32 -1.15 -2.76 116.42 117.48 2weg h ASP 162 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 2weg h ASP 162 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2weg h ASP 162 CO -0.29 0.00 -0.29 0.55 -1.72 0.00 0.00 179.24 177.49 2weg n VAL 163 N -2.68 0.00 0.23 -1.35 3.14 -0.93 -4.34 118.33 112.41 2weg n VAL 163 Ca 0.02 -0.17 0.09 0.00 -2.96 0.00 0.00 64.34 61.32 2weg n VAL 163 Cb 0.31 0.63 0.58 0.00 -1.06 0.00 0.00 33.84 34.30 2weg n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2weg h LEU 164 N 1.64 0.00 -2.36 6.55 3.38 -1.49 -0.71 115.31 122.32 2weg h LEU 164 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2weg h LEU 164 Cb 0.58 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2weg h LEU 164 CO 0.00 0.20 -0.03 0.44 0.09 0.00 0.00 178.44 179.14 2weg h ASP 165 N 0.00 0.00 0.52 -0.43 3.32 -1.79 -1.75 116.42 116.30 2weg h ASP 165 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2weg h ASP 165 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2weg h ASP 165 CO 0.03 0.03 -0.34 -1.54 -1.72 0.00 0.00 179.24 175.70 2weg n SER 166 N -3.69 0.50 -2.48 6.45 3.41 -0.27 -4.05 113.62 113.48 2weg n SER 166 Ca -0.03 -0.26 -0.14 0.00 -0.26 0.00 0.00 58.87 58.18 2weg n SER 166 Cb 0.13 0.08 0.03 0.00 -0.26 0.00 0.00 64.21 64.18 2weg n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2weg n ILE 167 N -1.31 1.82 -0.19 -1.33 -5.35 -0.66 -4.73 119.36 107.60 2weg n ILE 167 Ca 0.08 -3.73 -0.02 0.00 -0.27 0.00 0.00 62.75 58.80 2weg n ILE 167 Cb 0.33 -0.06 0.19 0.00 -1.74 0.00 0.00 39.64 38.36 2weg n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2weg h LYS 168 N 2.55 0.95 -6.36 6.28 3.64 -1.68 -3.42 116.57 118.53 2weg h LYS 168 Ca 0.11 -0.14 -0.61 0.00 -1.27 0.00 0.00 60.65 58.74 2weg h LYS 168 Cb 1.27 -0.17 -0.14 0.00 -0.41 0.00 0.00 32.23 32.78 2weg h LYS 168 CO 0.55 0.75 -0.73 0.95 -2.27 0.00 0.00 179.45 178.70 2weg s THR 169 N -5.51 2.94 -0.02 1.00 -4.23 -1.26 -0.57 115.64 107.99 2weg s THR 169 Ca -0.11 -1.96 -0.37 0.00 -1.18 0.00 0.00 61.69 58.07 2weg s THR 169 Cb 0.16 -2.50 -0.16 0.00 1.34 0.00 0.00 72.50 71.35 2weg s THR 169 CO 0.80 -0.25 1.54 1.17 -0.54 0.00 0.00 174.62 177.35 2weg n LYS 170 N -0.31 1.39 -0.09 3.99 4.81 -0.31 -1.94 118.16 125.70 2weg n LYS 170 Ca -0.09 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 2weg n LYS 170 Cb 0.57 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.43 2weg n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2weg n GLY 171 N 3.31 0.78 3.77 3.14 0.00 0.47 -4.53 105.19 112.13 2weg n GLY 171 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2weg n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2weg s LYS 172 N -0.72 4.69 0.13 1.61 1.02 -0.82 -4.90 119.74 120.76 2weg s LYS 172 Ca 0.00 1.37 0.03 0.00 0.02 0.00 0.00 55.97 57.39 2weg s LYS 172 Cb 0.00 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 2weg s LYS 172 CO 0.00 0.41 -0.08 -1.54 -0.92 0.00 0.00 175.35 173.22 2weg s SER 173 N -1.39 1.52 -0.05 2.83 1.04 -1.26 -1.02 113.70 115.37 2weg s SER 173 Ca 0.45 -1.02 -0.09 0.00 0.48 0.00 0.00 55.95 55.76 2weg s SER 173 Cb -0.22 0.04 0.02 0.00 0.10 0.00 0.00 66.02 65.95 2weg s SER 173 CO 0.28 -0.39 0.23 0.00 0.98 0.00 0.00 173.24 174.33 2weg s ALA 174 N -3.46 -0.56 0.47 5.32 0.00 -0.17 -4.93 121.76 118.45 2weg s ALA 174 Ca 0.15 0.36 -0.24 0.00 0.00 0.00 0.00 51.96 52.24 2weg s ALA 174 Cb 0.04 -0.14 -0.08 0.00 0.00 0.00 0.00 23.12 22.93 2weg s ALA 174 CO -0.01 -0.17 1.25 -0.25 0.00 0.00 0.00 175.76 176.58 2weg n ASP 175 N 2.15 2.37 -2.88 0.00 8.00 -1.26 -1.00 116.55 123.92 2weg n ASP 175 Ca -0.18 1.04 -0.12 0.00 0.71 0.00 0.00 54.79 56.24 2weg n ASP 175 Cb 0.57 -1.50 0.03 0.00 -0.02 0.00 0.00 41.12 40.20 2weg n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2weg n PHE 176 N -0.58 -2.14 -2.79 1.24 7.35 -0.48 -4.71 117.46 115.35 2weg n PHE 176 Ca 0.08 -2.51 -0.26 0.00 -0.76 0.00 0.00 57.45 54.01 2weg n PHE 176 Cb 0.42 0.97 0.01 0.00 0.35 0.00 0.00 39.48 41.22 2weg n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2weg s THR 177 N -0.27 4.53 -1.52 -2.13 -4.23 -1.26 -3.02 115.64 107.75 2weg s THR 177 Ca 0.30 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 2weg s THR 177 Cb 0.26 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.39 2weg s THR 177 CO -0.13 -0.63 0.00 0.59 -0.54 0.00 0.00 174.62 173.91 2weg n ASN 178 N -2.20 -4.78 -4.73 3.99 4.13 -1.26 -4.97 115.26 105.45 2weg n ASN 178 Ca 0.00 0.24 -0.39 0.00 1.68 0.00 0.00 54.58 56.12 2weg n ASN 178 Cb 0.56 -3.73 -0.05 0.00 -1.54 0.00 0.00 39.78 35.02 2weg n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2weg s PHE 179 N -2.64 3.58 -0.48 3.10 5.36 -1.26 -5.01 117.98 120.62 2weg s PHE 179 Ca 0.00 1.07 -0.15 0.00 -0.96 0.00 0.00 56.93 56.89 2weg s PHE 179 Cb 0.00 -2.63 0.08 0.00 -0.34 0.00 0.00 43.02 40.13 2weg s PHE 179 CO 0.00 0.20 0.41 0.34 -1.46 0.00 0.00 175.22 174.70 2weg s ASP 180 N 0.45 6.15 0.00 6.13 -1.08 -1.26 -4.43 116.67 122.63 2weg s ASP 180 Ca 0.31 -1.38 0.15 0.00 -0.52 0.00 0.00 52.55 51.10 2weg s ASP 180 Cb -0.17 -2.19 0.67 0.00 -1.46 0.00 0.00 42.92 39.78 2weg s ASP 180 CO 0.14 -0.67 1.46 -0.81 0.52 0.00 0.00 175.17 175.82 2weg n PRO 181 N 5.21 0.06 0.29 4.34 -0.04 -1.26 -2.08 135.00 141.51 2weg n PRO 181 Ca -0.13 0.22 0.16 0.00 -0.04 0.00 0.00 63.50 63.71 2weg n PRO 181 Cb 0.43 -1.50 0.89 0.00 -0.04 0.00 0.00 33.50 33.28 2weg n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2weg h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.38 114.38 114.70 2weg h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2weg h ARG 182 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2weg h ARG 182 CO 0.00 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.36 2weg n GLY 183 N -0.86 -0.85 0.47 0.04 0.00 -0.89 -2.91 105.19 100.20 2weg n GLY 183 Ca -0.02 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 45.98 2weg n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2weg n LEU 184 N -0.86 1.93 -4.86 0.99 4.77 -0.52 -4.09 117.00 114.36 2weg n LEU 184 Ca 0.15 -0.77 -0.32 0.00 -0.03 0.00 0.00 56.01 55.04 2weg n LEU 184 Cb 0.07 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 2weg n LEU 184 CO 0.11 0.36 0.33 -0.76 -1.33 0.00 0.00 177.39 176.11 2weg s LEU 185 N -2.33 4.08 1.11 2.23 1.43 -1.14 -4.92 118.68 119.13 2weg s LEU 185 Ca 0.17 1.10 -0.18 0.00 -1.03 0.00 0.00 54.13 54.19 2weg s LEU 185 Cb 0.17 -3.90 0.25 0.00 0.03 0.00 0.00 46.19 42.74 2weg s LEU 185 CO 0.51 -0.18 1.17 -2.16 0.23 0.00 0.00 176.35 175.93 2weg s PRO 186 N -3.04 -0.49 0.05 1.29 0.04 -1.26 -5.00 135.00 126.59 2weg s PRO 186 Ca 0.51 -0.12 -0.21 0.00 0.04 0.00 0.00 61.00 61.22 2weg s PRO 186 Cb -0.11 -1.69 -0.13 0.00 0.04 0.00 0.00 34.50 32.62 2weg s PRO 186 CO 0.21 -3.22 1.42 1.49 0.04 0.00 0.00 177.00 176.95 2weg h GLU 187 N -2.22 0.32 -6.25 4.56 4.81 -1.92 -3.44 114.58 110.44 2weg h GLU 187 Ca -0.45 -0.13 -0.57 0.00 -0.13 0.00 0.00 59.36 58.07 2weg h GLU 187 Cb 1.28 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.61 2weg h GLU 187 CO 0.38 0.62 -0.12 0.45 -0.73 0.00 0.00 179.01 179.60 2weg s SER 188 N -5.94 6.80 -0.21 1.04 0.15 -1.26 -4.99 113.70 109.28 2weg s SER 188 Ca -0.14 1.02 0.15 0.00 0.70 0.00 0.00 55.95 57.68 2weg s SER 188 Cb 0.06 -2.27 0.76 0.00 -1.71 0.00 0.00 66.02 62.86 2weg s SER 188 CO 0.73 0.15 1.68 0.18 1.20 0.00 0.00 173.24 177.18 2weg n LEU 189 N 0.96 5.29 -4.77 3.45 4.77 -1.26 -4.71 117.00 120.73 2weg n LEU 189 Ca -0.07 -2.88 -0.41 0.00 -0.03 0.00 0.00 56.01 52.62 2weg n LEU 189 Cb 0.52 -0.65 0.01 0.00 -2.33 0.00 0.00 43.42 40.97 2weg n LEU 189 CO 0.42 0.66 1.10 0.47 -1.33 0.00 0.00 177.39 178.71 2weg n ASP 190 N 0.49 3.54 -3.91 -1.43 8.00 -1.26 -4.73 116.55 117.24 2weg n ASP 190 Ca 0.26 1.18 -0.09 0.00 0.71 0.00 0.00 54.79 56.84 2weg n ASP 190 Cb 1.11 -1.61 -0.07 0.00 -0.02 0.00 0.00 41.12 40.53 2weg n ASP 190 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2weg s TYR 191 N -1.15 0.29 0.16 1.24 -0.85 -1.26 -1.31 117.35 114.46 2weg s TYR 191 Ca 0.57 -0.67 0.06 0.00 -0.52 0.00 0.00 57.07 56.51 2weg s TYR 191 Cb -0.47 -0.01 -0.04 0.00 0.38 0.00 0.00 41.96 41.82 2weg s TYR 191 CO 0.61 -0.70 0.08 -1.58 -1.52 0.00 0.00 175.55 172.44 2weg s TRP 192 N -3.93 3.04 -0.03 -3.49 0.51 0.02 -0.57 118.94 114.48 2weg s TRP 192 Ca 0.14 -0.05 -0.08 0.00 -2.12 0.00 0.00 56.10 53.99 2weg s TRP 192 Cb 0.03 -1.48 0.01 0.00 -0.81 0.00 0.00 33.47 31.23 2weg s TRP 192 CO -0.03 0.52 0.18 -0.08 -0.51 0.00 0.00 176.95 177.03 2weg s THR 193 N -1.69 0.05 0.14 2.01 -1.32 0.23 -0.70 115.64 114.37 2weg s THR 193 Ca 0.29 -0.41 -0.24 0.00 -1.21 0.00 0.00 61.69 60.12 2weg s THR 193 Cb -0.10 -0.40 0.07 0.00 -1.51 0.00 0.00 72.50 70.56 2weg s THR 193 CO 0.21 -0.23 0.66 -0.72 -2.21 0.00 0.00 174.62 172.34 2weg s TYR 194 N -0.83 -0.47 -0.06 9.09 1.13 -0.98 -1.44 117.35 123.79 2weg s TYR 194 Ca -0.09 0.25 -0.25 0.00 -1.41 0.00 0.00 57.07 55.57 2weg s TYR 194 Cb -0.05 0.57 -0.03 0.00 -1.10 0.00 0.00 41.96 41.35 2weg s TYR 194 CO 0.01 -0.84 0.79 -1.25 -2.51 0.00 0.00 175.55 171.76 2weg s PRO 195 N -3.66 4.46 0.00 -3.49 0.04 -1.26 -1.32 135.00 129.77 2weg s PRO 195 Ca 0.03 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.10 2weg s PRO 195 Cb -0.01 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 31.06 2weg s PRO 195 CO -0.10 -0.00 0.00 0.41 0.04 0.00 0.00 177.00 177.34 2weg n GLY 196 N 3.09 4.70 3.19 0.56 0.00 0.57 -4.82 105.19 112.48 2weg n GLY 196 Ca 0.01 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 2weg n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2weg s SER 197 N 1.47 0.27 0.49 1.61 1.04 -1.13 -2.43 113.70 115.01 2weg s SER 197 Ca 0.00 -1.34 -0.23 0.00 0.48 0.00 0.00 55.95 54.86 2weg s SER 197 Cb 0.00 0.34 -0.08 0.00 0.10 0.00 0.00 66.02 66.39 2weg s SER 197 CO 0.00 -0.80 1.23 0.18 0.98 0.00 0.00 173.24 174.83 2weg n LEU 198 N -0.24 4.34 -0.72 2.42 4.77 -0.16 -4.48 117.00 122.94 2weg n LEU 198 Ca -0.00 1.02 0.13 0.00 -0.03 0.00 0.00 56.01 57.12 2weg n LEU 198 Cb 0.65 -1.50 0.27 0.00 -2.33 0.00 0.00 43.42 40.52 2weg n LEU 198 CO 0.33 -0.87 0.71 0.35 -1.33 0.00 0.00 177.39 176.57 2weg n THR 199 N -0.72 0.00 -4.36 -5.08 -2.24 -1.26 -4.38 114.28 96.24 2weg n THR 199 Ca 0.09 -0.37 -0.19 0.00 -2.27 0.00 0.00 64.05 61.30 2weg n THR 199 Cb 0.42 1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 69.60 2weg n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2weg s THR 200 N -2.05 1.80 0.21 4.28 -4.23 -1.26 -4.67 115.64 109.72 2weg s THR 200 Ca 0.31 -2.22 -0.30 0.00 -1.18 0.00 0.00 61.69 58.29 2weg s THR 200 Cb 0.20 -2.10 -0.16 0.00 1.34 0.00 0.00 72.50 71.78 2weg s THR 200 CO 0.34 -0.55 0.95 -2.65 -0.54 0.00 0.00 174.62 172.17 2weg n PRO 201 N -0.42 0.88 -0.03 3.99 -0.02 -1.26 -0.24 135.00 137.89 2weg n PRO 201 Ca -0.07 0.31 0.07 0.00 -2.02 0.00 0.00 63.50 61.79 2weg n PRO 201 Cb 0.61 -1.65 0.37 0.00 -0.02 0.00 0.00 33.50 32.81 2weg n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2weg n PRO 202 N 1.21 1.23 -2.17 0.52 -0.04 -1.26 -5.00 135.00 129.48 2weg n PRO 202 Ca 0.14 -0.35 -0.17 0.00 -0.04 0.00 0.00 63.50 63.08 2weg n PRO 202 Cb 0.26 -1.25 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 2weg n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2weg n LEU 203 N -0.37 -1.68 -4.77 1.53 4.77 0.66 -4.91 117.00 112.23 2weg n LEU 203 Ca 0.11 0.06 -0.40 0.00 -0.03 0.00 0.00 56.01 55.75 2weg n LEU 203 Cb 0.13 -2.47 -0.01 0.00 -2.33 0.00 0.00 43.42 38.74 2weg n LEU 203 CO 0.09 -0.30 1.00 -0.76 -1.33 0.00 0.00 177.39 176.08 2weg s LEU 204 N -4.69 4.31 -1.28 2.23 1.43 -1.26 -4.43 118.68 114.98 2weg s LEU 204 Ca 0.00 2.74 -0.08 0.00 -1.03 0.00 0.00 54.13 55.76 2weg s LEU 204 Cb 0.00 -3.77 0.16 0.00 0.03 0.00 0.00 46.19 42.61 2weg s LEU 204 CO 0.00 -0.75 1.96 -0.62 0.23 0.00 0.00 176.35 177.18 2weg n GLU 205 N 0.42 3.84 -0.00 1.70 1.02 -1.26 -0.99 120.64 125.36 2weg n GLU 205 Ca 0.02 -3.54 0.00 0.00 -0.02 0.00 0.00 57.16 53.61 2weg n GLU 205 Cb 0.42 -2.85 0.00 0.00 -0.02 0.00 0.00 31.44 28.99 2weg n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2weg s VAL 207 N -0.59 3.03 -0.38 0.00 1.01 -1.02 -0.84 120.40 121.62 2weg s VAL 207 Ca 0.00 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 61.08 2weg s VAL 207 Cb 0.00 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 34.12 2weg s VAL 207 CO 0.00 0.52 0.78 -0.89 0.00 0.00 0.00 175.10 175.51 2weg s THR 208 N 0.41 4.72 0.02 3.92 2.01 0.03 -0.32 115.64 126.43 2weg s THR 208 Ca -0.10 0.80 -0.21 0.00 0.31 0.00 0.00 61.69 62.48 2weg s THR 208 Cb -0.16 -4.23 -0.06 0.00 0.01 0.00 0.00 72.50 68.07 2weg s THR 208 CO 0.05 -0.48 0.63 0.26 -0.69 0.00 0.00 174.62 174.39 2weg s TRP 209 N 3.13 3.71 -0.24 4.92 0.52 -0.43 -2.02 118.94 128.53 2weg s TRP 209 Ca 0.31 1.27 -0.01 0.00 0.02 0.00 0.00 56.10 57.69 2weg s TRP 209 Cb -0.13 -2.64 0.07 0.00 -1.15 0.00 0.00 33.47 29.62 2weg s TRP 209 CO 0.18 0.37 0.01 0.42 0.02 0.00 0.00 176.95 177.94 2weg s ILE 210 N -0.29 1.13 -0.22 2.03 1.01 -0.43 -2.31 121.20 122.12 2weg s ILE 210 Ca 0.32 -1.10 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 2weg s ILE 210 Cb -0.19 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 2weg s ILE 210 CO 0.19 -0.26 -0.02 -0.69 0.00 0.00 0.00 174.94 174.15 2weg s VAL 211 N 1.56 3.57 0.33 2.92 1.01 0.12 -0.44 120.40 129.47 2weg s VAL 211 Ca -0.01 -0.43 -0.27 0.00 0.00 0.00 0.00 61.98 61.28 2weg s VAL 211 Cb -0.18 -2.63 -0.09 0.00 0.00 0.00 0.00 36.38 33.48 2weg s VAL 211 CO -0.10 0.41 1.07 -0.76 0.00 0.00 0.00 175.10 175.72 2weg s LEU 212 N 1.43 4.38 0.16 3.92 1.43 -0.00 -0.80 118.68 129.19 2weg s LEU 212 Ca 0.05 2.15 -0.09 0.00 -1.03 0.00 0.00 54.13 55.21 2weg s LEU 212 Cb -0.14 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.20 2weg s LEU 212 CO -0.01 -0.28 1.47 0.50 0.23 0.00 0.00 176.35 178.26 2weg h LYS 213 N 3.25 0.82 -5.72 1.70 3.64 -1.54 -3.43 116.57 115.30 2weg h LYS 213 Ca -0.47 -0.47 -0.60 0.00 -1.27 0.00 0.00 60.65 57.84 2weg h LYS 213 Cb 1.21 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.97 2weg h LYS 213 CO 0.65 1.10 0.31 -2.00 -2.27 0.00 0.00 179.45 177.24 2weg s GLU 214 N -4.24 4.19 0.75 1.90 2.12 -1.26 -5.01 118.70 117.15 2weg s GLU 214 Ca -0.10 0.79 -0.11 0.00 0.36 0.00 0.00 54.97 55.91 2weg s GLU 214 Cb 0.11 -3.62 0.04 0.00 0.26 0.00 0.00 34.13 30.92 2weg s GLU 214 CO 0.87 -0.40 1.08 -2.14 -0.54 0.00 0.00 175.26 174.13 2weg s PRO 215 N 2.44 2.49 0.17 4.30 0.02 -1.26 -4.65 135.00 138.52 2weg s PRO 215 Ca 0.32 0.92 -0.01 0.00 0.02 0.00 0.00 61.00 62.25 2weg s PRO 215 Cb -0.16 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 2weg s PRO 215 CO 0.09 -1.41 0.36 0.96 -0.33 0.00 0.00 177.00 176.67 2weg s ILE 216 N -3.03 5.23 -0.09 2.83 -4.36 0.09 -4.85 121.20 117.02 2weg s ILE 216 Ca 0.60 -0.33 -0.10 0.00 -0.26 0.00 0.00 60.65 60.56 2weg s ILE 216 Cb -0.15 -3.70 -0.05 0.00 1.25 0.00 0.00 42.46 39.81 2weg s ILE 216 CO 0.55 -0.10 0.23 -0.94 0.24 0.00 0.00 174.94 174.93 2weg s SER 217 N -2.97 6.51 0.21 4.36 1.04 -1.26 -1.19 113.70 120.40 2weg s SER 217 Ca 0.38 0.61 0.06 0.00 0.48 0.00 0.00 55.95 57.48 2weg s SER 217 Cb -0.11 -2.14 -0.05 0.00 0.10 0.00 0.00 66.02 63.82 2weg s SER 217 CO 0.28 0.35 -0.10 0.68 0.98 0.00 0.00 173.24 175.43 2weg s VAL 218 N -0.84 1.51 0.58 5.02 -7.23 -0.14 -3.07 120.40 116.23 2weg s VAL 218 Ca 0.17 -2.14 -0.05 0.00 -1.81 0.00 0.00 61.98 58.16 2weg s VAL 218 Cb -0.13 -2.13 0.01 0.00 0.56 0.00 0.00 36.38 34.68 2weg s VAL 218 CO 0.06 -0.53 0.87 -0.94 -0.31 0.00 0.00 175.10 174.26 2weg s SER 219 N -3.31 5.57 0.34 4.85 1.04 -1.17 -0.21 113.70 120.80 2weg s SER 219 Ca 0.24 0.61 0.01 0.00 0.48 0.00 0.00 55.95 57.29 2weg s SER 219 Cb 0.02 -1.61 0.59 0.00 0.10 0.00 0.00 66.02 65.12 2weg s SER 219 CO 0.07 -1.05 1.99 -1.28 0.98 0.00 0.00 173.24 173.96 2weg h SER 220 N -0.11 0.78 -0.05 7.02 0.87 -1.92 -1.74 113.55 118.40 2weg h SER 220 Ca -0.45 -0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 59.99 2weg h SER 220 Cb 1.26 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 2weg h SER 220 CO 0.60 0.56 -0.27 -0.33 -0.53 0.00 0.00 176.83 176.86 2weg h GLU 221 N 0.92 0.49 -0.19 2.24 3.07 -1.95 -0.11 114.58 119.05 2weg h GLU 221 Ca 0.26 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 58.90 2weg h GLU 221 Cb -0.07 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 2weg h GLU 221 CO -0.06 0.72 0.03 1.96 -1.40 0.00 0.00 179.01 180.26 2weg h GLN 222 N 0.43 0.31 0.00 2.33 4.20 -1.71 -2.56 115.11 118.11 2weg h GLN 222 Ca 0.06 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 2weg h GLN 222 Cb 0.70 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 2weg h GLN 222 CO 0.05 0.48 -0.54 -0.24 -0.67 0.00 0.00 178.83 177.91 2weg h VAL 223 N 0.10 1.30 -0.71 -0.54 3.04 -1.22 -2.45 116.25 115.77 2weg h VAL 223 Ca 0.06 -1.91 0.03 0.00 -1.01 0.00 0.00 66.70 63.87 2weg h VAL 223 Cb 0.32 2.06 -0.04 0.00 -2.01 0.00 0.00 31.29 31.61 2weg h VAL 223 CO 0.00 0.53 0.47 0.25 -1.01 0.00 0.00 177.57 177.81 2weg h LEU 224 N 0.00 0.74 -0.86 3.16 5.85 -0.89 -1.43 115.31 121.88 2weg h LEU 224 Ca -0.01 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 2weg h LEU 224 Cb 1.01 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2weg h LEU 224 CO 0.07 0.51 -0.38 0.11 -0.34 0.00 0.00 178.44 178.42 2weg h LYS 225 N 0.86 0.39 -0.56 1.25 1.57 -1.02 -2.26 116.57 116.80 2weg h LYS 225 Ca 0.28 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2weg h LYS 225 Cb 0.05 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2weg h LYS 225 CO -0.08 0.71 0.37 0.74 -0.57 0.00 0.00 179.45 180.62 2weg h PHE 226 N 0.33 0.66 0.00 -1.35 -1.00 -1.10 -2.57 116.94 111.90 2weg h PHE 226 Ca 0.03 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.83 2weg h PHE 226 Cb 0.81 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 40.15 2weg h PHE 226 CO 0.02 0.40 0.00 0.54 -1.61 0.00 0.00 178.31 177.66 2weg n ARG 227 N -4.46 0.75 0.02 1.51 1.74 -0.86 -2.37 116.66 112.98 2weg n ARG 227 Ca 0.06 0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.27 2weg n ARG 227 Cb 0.10 -1.50 0.18 0.00 -1.02 0.00 0.00 32.46 30.21 2weg n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2weg n LYS 228 N -1.07 0.10 -0.69 5.56 5.02 -0.97 -4.49 118.16 121.63 2weg n LYS 228 Ca 0.19 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 56.20 2weg n LYS 228 Cb 0.12 -1.55 0.20 0.00 -0.02 0.00 0.00 35.03 33.78 2weg n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2weg s LEU 229 N -3.38 1.99 0.03 -0.35 1.43 -1.00 -4.86 118.68 112.53 2weg s LEU 229 Ca 0.09 1.86 0.08 0.00 -1.03 0.00 0.00 54.13 55.13 2weg s LEU 229 Cb 0.16 -4.06 -0.02 0.00 0.03 0.00 0.00 46.19 42.30 2weg s LEU 229 CO 0.73 -3.50 -0.23 0.20 0.23 0.00 0.00 176.35 173.78 2weg s ASN 230 N -2.68 2.76 0.19 2.29 0.02 0.26 -0.31 114.94 117.47 2weg s ASN 230 Ca 0.67 -0.52 0.03 0.00 -1.02 0.00 0.00 52.86 52.02 2weg s ASN 230 Cb -0.23 -0.26 0.10 0.00 0.02 0.00 0.00 41.25 40.89 2weg s ASN 230 CO 0.61 0.23 1.46 -0.26 0.02 0.00 0.00 177.10 179.15 2weg h PHE 231 N 5.03 0.33 -4.40 2.20 0.04 -1.33 -3.35 116.94 115.46 2weg h PHE 231 Ca -0.43 -0.15 -0.48 0.00 2.80 0.00 0.00 57.97 59.70 2weg h PHE 231 Cb 1.15 -0.05 0.10 0.00 2.20 0.00 0.00 35.95 39.35 2weg h PHE 231 CO 0.47 0.90 0.37 0.54 -0.60 0.00 0.00 178.31 179.98 2weg s ASN 232 N -6.92 4.69 0.64 2.17 4.22 -1.26 -4.38 114.94 114.11 2weg s ASN 232 Ca -0.04 1.13 -0.11 0.00 -2.14 0.00 0.00 52.86 51.70 2weg s ASN 232 Cb 0.11 -1.83 -0.03 0.00 1.28 0.00 0.00 41.25 40.79 2weg s ASN 232 CO 0.82 -1.82 1.05 -0.83 -2.04 0.00 0.00 177.10 174.27 2weg s GLY 233 N -4.18 1.65 0.30 0.45 0.00 -1.26 -1.17 107.32 103.12 2weg s GLY 233 Ca 0.60 -0.14 -0.30 0.00 0.00 0.00 0.00 44.72 44.88 2weg s GLY 233 CO 0.52 0.15 1.53 -2.21 0.00 0.00 0.00 173.10 173.09 2weg n GLU 234 N -2.82 2.54 -0.92 2.90 2.13 -1.26 -1.83 120.64 121.37 2weg n GLU 234 Ca 0.06 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.78 2weg n GLU 234 Cb 0.55 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.62 2weg n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2weg n GLY 235 N 1.85 0.75 3.81 8.31 0.00 -1.26 -5.03 105.19 113.62 2weg n GLY 235 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 2weg n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2weg s GLU 236 N -0.08 2.65 0.37 1.61 2.02 -0.76 -5.07 118.70 119.44 2weg s GLU 236 Ca 0.00 -1.32 -0.28 0.00 0.02 0.00 0.00 54.97 53.38 2weg s GLU 236 Cb 0.00 -2.41 -0.11 0.00 0.10 0.00 0.00 34.13 31.71 2weg s GLU 236 CO 0.00 0.16 1.50 -2.14 0.02 0.00 0.00 175.26 174.79 2weg s PRO 237 N -3.92 4.11 -0.03 0.39 0.02 -1.26 -4.88 135.00 129.44 2weg s PRO 237 Ca 0.38 2.57 -0.30 0.00 0.02 0.00 0.00 61.00 63.67 2weg s PRO 237 Cb -0.05 -2.98 -0.04 0.00 0.02 0.00 0.00 34.50 31.45 2weg s PRO 237 CO 0.25 -0.54 1.21 -2.00 -0.33 0.00 0.00 177.00 175.59 2weg s GLU 238 N -1.89 4.37 -0.19 5.54 2.12 -1.26 -4.71 118.70 122.68 2weg s GLU 238 Ca 0.54 1.71 -0.01 0.00 0.36 0.00 0.00 54.97 57.57 2weg s GLU 238 Cb -0.47 -3.51 0.05 0.00 0.26 0.00 0.00 34.13 30.46 2weg s GLU 238 CO 0.61 -0.41 -0.01 -1.21 -0.54 0.00 0.00 175.26 173.71 2weg s GLU 239 N 1.97 1.03 0.38 4.30 2.02 -1.26 -5.06 118.70 122.08 2weg s GLU 239 Ca 0.57 -0.52 -0.28 0.00 0.02 0.00 0.00 54.97 54.76 2weg s GLU 239 Cb -0.26 -2.10 -0.10 0.00 0.10 0.00 0.00 34.13 31.76 2weg s GLU 239 CO 0.24 -0.56 1.45 -0.51 0.02 0.00 0.00 175.26 175.90 2weg s LEU 240 N 1.72 4.30 -0.90 1.80 1.43 -1.26 -1.04 118.68 124.72 2weg s LEU 240 Ca -0.01 2.98 -0.22 0.00 -1.03 0.00 0.00 54.13 55.85 2weg s LEU 240 Cb -0.17 -3.71 0.07 0.00 0.03 0.00 0.00 46.19 42.41 2weg s LEU 240 CO -0.07 -0.88 1.27 -0.32 0.23 0.00 0.00 176.35 176.57 2weg s MET 241 N -2.12 3.46 0.04 1.70 -2.45 0.58 -4.57 119.30 115.94 2weg s MET 241 Ca 0.54 -1.11 -0.03 0.00 -1.25 0.00 0.00 55.69 53.84 2weg s MET 241 Cb -0.45 -4.89 -0.02 0.00 1.25 0.00 0.00 34.83 30.72 2weg s MET 241 CO 0.61 -2.03 0.03 0.14 1.05 0.00 0.00 175.02 174.82 2weg s VAL 242 N 4.36 0.16 -1.34 10.11 -7.23 -1.26 -4.48 120.40 120.71 2weg s VAL 242 Ca 0.37 -1.35 -0.05 0.00 -1.81 0.00 0.00 61.98 59.15 2weg s VAL 242 Cb -0.05 -1.07 0.02 0.00 0.56 0.00 0.00 36.38 35.84 2weg s VAL 242 CO -0.03 -0.75 0.91 0.47 -0.31 0.00 0.00 175.10 175.39 2weg n ASP 243 N 0.57 -3.00 -2.56 4.85 8.00 -0.11 -4.83 116.55 119.46 2weg n ASP 243 Ca -0.17 -0.72 -0.32 0.00 0.71 0.00 0.00 54.79 54.28 2weg n ASP 243 Cb 0.59 -4.41 0.02 0.00 -0.02 0.00 0.00 41.12 37.29 2weg n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2weg n ASN 244 N -3.02 7.10 -4.32 -2.24 6.94 -1.08 -4.90 115.26 113.74 2weg n ASN 244 Ca -0.17 -3.54 -0.28 0.00 -0.02 0.00 0.00 54.58 50.57 2weg n ASN 244 Cb 0.62 -1.11 -0.14 0.00 -2.36 0.00 0.00 39.78 36.80 2weg n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 2weg s TRP 245 N -3.01 2.13 0.03 -2.53 1.48 -1.26 -4.62 118.94 111.16 2weg s TRP 245 Ca 0.54 -0.40 -0.19 0.00 -1.06 0.00 0.00 56.10 55.00 2weg s TRP 245 Cb 0.41 -1.24 -0.06 0.00 -1.16 0.00 0.00 33.47 31.42 2weg s TRP 245 CO -0.24 0.16 0.54 0.50 -4.06 0.00 0.00 176.95 173.85 2weg s ARG 246 N -1.41 4.18 0.86 3.25 3.52 -1.26 -4.98 118.95 123.12 2weg s ARG 246 Ca 0.10 0.66 -0.12 0.00 -0.13 0.00 0.00 55.73 56.25 2weg s ARG 246 Cb -0.10 -3.27 0.11 0.00 -1.56 0.00 0.00 34.95 30.14 2weg s ARG 246 CO 0.03 0.57 1.12 -1.25 -0.81 0.00 0.00 175.30 174.95 2weg s PRO 247 N -0.82 1.53 0.37 5.12 0.04 -1.26 -4.61 135.00 135.37 2weg s PRO 247 Ca 0.28 0.47 -0.28 0.00 0.04 0.00 0.00 61.00 61.51 2weg s PRO 247 Cb -0.18 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.38 2weg s PRO 247 CO 0.17 -1.96 1.51 0.00 0.04 0.00 0.00 177.00 176.75 2weg s ALA 248 N -3.20 3.59 0.27 8.56 0.00 -1.26 -4.35 121.76 125.38 2weg s ALA 248 Ca 0.62 1.59 0.08 0.00 0.00 0.00 0.00 51.96 54.26 2weg s ALA 248 Cb -0.15 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 2weg s ALA 248 CO 0.54 -1.07 0.12 -0.65 0.00 0.00 0.00 175.76 174.70 2weg s GLN 249 N -1.97 2.63 0.37 0.00 -1.52 0.36 -4.94 119.66 114.59 2weg s GLN 249 Ca 0.54 -1.25 -0.28 0.00 -1.95 0.00 0.00 55.36 52.42 2weg s GLN 249 Cb -0.47 -2.38 -0.11 0.00 -0.22 0.00 0.00 33.01 29.84 2weg s GLN 249 CO 0.62 0.34 1.44 -2.14 -0.25 0.00 0.00 175.29 175.30 2weg s PRO 250 N -3.79 4.16 0.25 2.91 0.02 -1.26 -4.57 135.00 132.71 2weg s PRO 250 Ca 0.33 2.47 0.05 0.00 0.02 0.00 0.00 61.00 63.87 2weg s PRO 250 Cb -0.07 -2.98 0.29 0.00 0.02 0.00 0.00 34.50 31.76 2weg s PRO 250 CO 0.23 -0.45 1.59 1.25 -0.33 0.00 0.00 177.00 179.28 2weg h LEU 251 N 3.07 0.26 0.00 -5.54 5.85 -1.95 -3.43 115.31 113.57 2weg h LEU 251 Ca -0.50 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.07 2weg h LEU 251 Cb 1.24 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2weg h LEU 251 CO 0.64 0.77 0.00 0.29 -0.34 0.00 0.00 178.44 179.81 2weg n LYS 252 N -3.90 0.00 -2.42 1.25 5.02 -1.26 -3.23 118.16 113.61 2weg n LYS 252 Ca -0.02 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.85 2weg n LYS 252 Cb 0.59 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.61 2weg n LYS 252 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2weg n ASN 253 N 0.65 6.81 -4.11 4.39 5.03 -1.26 -4.90 115.26 121.87 2weg n ASN 253 Ca 0.00 -3.31 -0.14 0.00 0.87 0.00 0.00 54.58 52.00 2weg n ASN 253 Cb 0.00 -1.33 -0.11 0.00 -1.02 0.00 0.00 39.78 37.32 2weg n ASN 253 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2weg s ARG 254 N -1.78 0.67 -0.09 3.52 0.52 -1.20 -5.10 118.95 115.49 2weg s ARG 254 Ca 0.42 -0.92 0.04 0.00 -0.52 0.00 0.00 55.73 54.75 2weg s ARG 254 Cb 0.14 -0.43 -0.01 0.00 0.52 0.00 0.00 34.95 35.17 2weg s ARG 254 CO -0.03 0.07 -0.21 -1.14 0.02 0.00 0.00 175.30 174.01 2weg s GLN 255 N -2.05 2.93 -0.10 3.54 0.74 -1.26 -5.04 119.66 118.41 2weg s GLN 255 Ca -0.04 -0.83 -0.20 0.00 0.05 0.00 0.00 55.36 54.34 2weg s GLN 255 Cb -0.07 -2.34 -0.04 0.00 1.10 0.00 0.00 33.01 31.66 2weg s GLN 255 CO 0.00 0.29 0.58 0.42 -0.55 0.00 0.00 175.29 176.03 2weg s ILE 256 N 0.10 5.12 -0.02 -2.34 1.01 -1.26 -4.72 121.20 119.09 2weg s ILE 256 Ca -0.10 1.17 -0.01 0.00 0.00 0.00 0.00 60.65 61.71 2weg s ILE 256 Cb -0.16 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 2weg s ILE 256 CO 0.06 0.28 0.08 -0.54 0.00 0.00 0.00 174.94 174.81 2weg s LYS 257 N 0.81 3.07 -0.07 2.79 1.02 -0.52 -1.84 119.74 124.99 2weg s LYS 257 Ca 0.31 -0.47 -0.00 0.00 0.02 0.00 0.00 55.97 55.83 2weg s LYS 257 Cb -0.16 -2.86 -0.03 0.00 -0.52 0.00 0.00 37.83 34.25 2weg s LYS 257 CO 0.13 0.66 -0.05 0.00 -0.92 0.00 0.00 175.35 175.17 2weg s ALA 258 N -1.16 3.07 -1.63 5.17 0.00 0.11 -0.60 121.76 126.73 2weg s ALA 258 Ca 0.22 -0.86 0.31 0.00 0.00 0.00 0.00 51.96 51.62 2weg s ALA 258 Cb -0.12 -1.31 1.66 0.00 0.00 0.00 0.00 23.12 23.35 2weg s ALA 258 CO 0.12 0.57 2.12 -1.13 0.00 0.00 0.00 175.76 177.44 2weg n SER 259 N 2.23 0.00 -3.94 0.00 3.41 0.26 -1.23 113.62 114.34 2weg n SER 259 Ca -0.18 -0.45 -0.08 0.00 -0.26 0.00 0.00 58.87 57.90 2weg n SER 259 Cb 0.53 -0.18 -0.08 0.00 -0.26 0.00 0.00 64.21 64.21 2weg n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2weg s PHE 260 N -2.37 0.29 -1.30 7.33 -0.71 -1.26 -4.89 117.98 115.06 2weg s PHE 260 Ca 0.35 -0.76 0.10 0.00 -1.04 0.00 0.00 56.93 55.59 2weg s PHE 260 Cb 0.21 -0.18 0.08 0.00 -1.21 0.00 0.00 43.02 41.92 2weg s PHE 260 CO 0.43 -0.49 0.83 0.36 -1.34 0.00 0.00 175.22 175.01