#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c8m s LEU 2 N 0.00 4.31 0.14 0.99 2.96 -1.26 -4.96 118.68 120.86 1c8m s LEU 2 Ca 0.00 2.16 -0.31 0.00 -0.22 0.00 0.00 54.13 55.76 1c8m s LEU 2 Cb 0.00 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 43.05 1c8m s LEU 2 CO 0.00 -0.78 1.42 -2.16 -1.32 0.00 0.00 176.35 173.50 1c8m s PRO 3 N 2.80 4.30 0.21 0.98 0.04 -1.26 -5.01 135.00 137.07 1c8m s PRO 3 Ca 0.66 2.13 0.09 0.00 0.04 0.00 0.00 61.00 63.92 1c8m s PRO 3 Cb -0.32 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 30.95 1c8m s PRO 3 CO 0.27 -0.45 -0.16 0.14 0.04 0.00 0.00 177.00 176.84 1c8m s VAL 4 N 0.98 1.88 -0.26 -0.36 -7.23 -1.26 -5.12 120.40 109.03 1c8m s VAL 4 Ca 0.65 -2.20 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 1c8m s VAL 4 Cb -0.38 -2.05 0.07 0.00 0.56 0.00 0.00 36.38 34.57 1c8m s VAL 4 CO 0.32 -0.52 -0.02 -0.47 -0.31 0.00 0.00 175.10 174.10 1c8m s TYR 5 N -2.75 2.47 -0.04 2.82 6.14 -1.26 -5.09 117.35 119.65 1c8m s TYR 5 Ca 0.23 -1.90 -0.30 0.00 0.64 0.00 0.00 57.07 55.73 1c8m s TYR 5 Cb -0.02 -1.76 -0.05 0.00 0.42 0.00 0.00 41.96 40.55 1c8m s TYR 5 CO 0.08 -0.81 1.52 0.08 0.64 0.00 0.00 175.55 177.06 1c8m s VAL 6 N 1.36 3.65 0.38 3.14 1.01 -1.26 -5.00 120.40 123.69 1c8m s VAL 6 Ca -0.02 0.92 -0.03 0.00 0.00 0.00 0.00 61.98 62.85 1c8m s VAL 6 Cb -0.19 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1c8m s VAL 6 CO -0.09 -0.05 0.64 0.42 0.00 0.00 0.00 175.10 176.03 1c8m s THR 7 N 3.28 5.00 0.41 3.92 -4.23 -1.26 -5.01 115.64 117.75 1c8m s THR 7 Ca 0.68 -0.06 -0.27 0.00 -1.18 0.00 0.00 61.69 60.87 1c8m s THR 7 Cb -0.32 -3.82 -0.10 0.00 1.34 0.00 0.00 72.50 69.60 1c8m s THR 7 CO 0.27 -0.59 1.44 -2.65 -0.54 0.00 0.00 174.62 172.54 1c8m n PRO 8 N -1.69 2.41 0.00 3.99 -0.02 -1.26 -1.74 135.00 136.68 1c8m n PRO 8 Ca -0.02 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1c8m n PRO 8 Cb 0.55 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1c8m n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1c8m n GLY 9 N 0.55 2.44 3.69 -1.23 0.00 -1.26 -5.06 105.19 104.32 1c8m n GLY 9 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1c8m n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1c8m n SER 10 N 0.00 2.62 0.00 1.61 7.64 -0.71 -1.98 113.62 122.80 1c8m n SER 10 Ca 0.00 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1c8m n SER 10 Cb 0.00 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.74 1c8m n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c8m n GLY 11 N 0.90 2.85 3.87 0.23 0.00 -1.26 -5.02 105.19 106.77 1c8m n GLY 11 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1c8m n GLY 11 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1c8m s GLN 12 N -0.08 1.67 -0.26 1.61 -2.07 -0.84 -5.05 119.66 114.65 1c8m s GLN 12 Ca 0.00 0.12 0.01 0.00 -1.82 0.00 0.00 55.36 53.66 1c8m s GLN 12 Cb 0.00 -1.92 0.07 0.00 -1.09 0.00 0.00 33.01 30.08 1c8m s GLN 12 CO 0.00 -1.80 -0.01 0.12 -1.32 0.00 0.00 175.29 172.28 1c8m s PHE 13 N -3.53 2.32 -0.24 9.60 5.36 -1.26 -5.09 117.98 125.14 1c8m s PHE 13 Ca 0.63 -1.82 -0.10 0.00 -0.96 0.00 0.00 56.93 54.68 1c8m s PHE 13 Cb -0.11 -1.71 -0.05 0.00 -0.34 0.00 0.00 43.02 40.80 1c8m s PHE 13 CO 0.50 -0.80 0.16 -1.64 -1.46 0.00 0.00 175.22 171.98 1c8m s MET 14 N 1.41 4.04 0.44 10.12 -1.94 -1.26 -4.97 119.30 127.15 1c8m s MET 14 Ca -0.01 -0.28 0.30 0.00 -1.71 0.00 0.00 55.69 53.99 1c8m s MET 14 Cb -0.18 -3.54 1.57 0.00 2.01 0.00 0.00 34.83 34.68 1c8m s MET 14 CO -0.10 0.02 1.92 1.79 -0.01 0.00 0.00 175.02 178.65 1c8m h THR 15 N 5.08 0.00 -0.35 2.05 1.35 -2.07 -2.13 112.91 116.83 1c8m h THR 15 Ca -0.38 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1c8m h THR 15 Cb 1.17 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1c8m h THR 15 CO 0.64 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.26 1c8m n THR 16 N -2.59 1.34 -0.71 6.82 -2.24 -1.26 -5.02 114.28 110.62 1c8m n THR 16 Ca -0.01 -1.21 -0.29 0.00 -2.27 0.00 0.00 64.05 60.27 1c8m n THR 16 Cb 0.10 0.31 0.24 0.00 -2.10 0.00 0.00 70.33 68.88 1c8m n THR 16 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1c8m s ASP 17 N -1.21 0.89 -0.41 3.42 3.84 -0.80 -5.01 116.67 117.38 1c8m s ASP 17 Ca 0.30 1.21 0.07 0.00 -0.00 0.00 0.00 52.55 54.13 1c8m s ASP 17 Cb 0.19 -1.86 0.23 0.00 -1.38 0.00 0.00 42.92 40.09 1c8m s ASP 17 CO 0.15 -4.21 0.48 -0.67 -0.00 0.00 0.00 175.17 170.92 1c8m n ASP 18 N -4.90 0.14 -4.85 2.11 2.03 -1.26 -5.08 116.55 104.76 1c8m n ASP 18 Ca 0.06 -2.64 -0.25 0.00 0.52 0.00 0.00 54.79 52.48 1c8m n ASP 18 Cb 0.57 -0.62 -0.03 0.00 -0.72 0.00 0.00 41.12 40.31 1c8m n ASP 18 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1c8m s MET 19 N -0.90 2.29 0.24 -0.67 -1.94 -1.26 -5.13 119.30 111.92 1c8m s MET 19 Ca 0.35 -1.93 0.07 0.00 -1.71 0.00 0.00 55.69 52.47 1c8m s MET 19 Cb 0.13 -2.07 -0.04 0.00 2.01 0.00 0.00 34.83 34.87 1c8m s MET 19 CO -0.13 -0.40 0.19 -0.65 -0.01 0.00 0.00 175.02 174.02 1c8m s GLN 20 N -4.13 2.93 0.02 2.03 -0.21 -1.26 -5.13 119.66 113.91 1c8m s GLN 20 Ca 0.36 -1.04 -0.19 0.00 0.02 0.00 0.00 55.36 54.51 1c8m s GLN 20 Cb -0.00 -2.57 0.04 0.00 1.00 0.00 0.00 33.01 31.47 1c8m s GLN 20 CO 0.21 0.41 0.43 -1.54 -2.12 0.00 0.00 175.29 172.68 1c8m s SER 21 N -3.78 -0.32 0.59 5.90 1.04 -1.26 -5.15 113.70 110.72 1c8m s SER 21 Ca 0.33 0.12 -0.20 0.00 0.48 0.00 0.00 55.95 56.68 1c8m s SER 21 Cb -0.08 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 1c8m s SER 21 CO 0.25 -0.61 1.31 -0.81 0.98 0.00 0.00 173.24 174.36 1c8m n PRO 22 N 0.74 1.43 -3.20 4.02 -0.04 -1.26 -4.97 135.00 131.72 1c8m n PRO 22 Ca -0.19 0.54 -0.39 0.00 -0.04 0.00 0.00 63.50 63.41 1c8m n PRO 22 Cb 0.58 -2.53 -0.06 0.00 -0.04 0.00 0.00 33.50 31.45 1c8m n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c8m h ALA 24 N 7.16 1.00 -3.12 0.00 0.00 -2.06 -3.33 119.26 118.92 1c8m h ALA 24 Ca -0.36 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 53.93 1c8m h ALA 24 Cb 1.16 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.54 1c8m h ALA 24 CO 0.76 0.00 -0.61 -0.51 0.00 0.00 0.00 179.25 178.89 1c8m s LEU 25 N -6.11 4.52 0.86 0.00 1.43 -1.26 -5.10 118.68 113.02 1c8m s LEU 25 Ca 0.00 -3.61 -0.10 0.00 -1.03 0.00 0.00 54.13 49.39 1c8m s LEU 25 Cb 0.10 -1.57 0.11 0.00 0.03 0.00 0.00 46.19 44.85 1c8m s LEU 25 CO 0.51 -0.12 1.12 -2.16 0.23 0.00 0.00 176.35 175.93 1c8m s PRO 26 N -1.10 1.52 0.00 1.29 0.04 -1.25 -3.10 135.00 132.41 1c8m s PRO 26 Ca 0.23 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1c8m s PRO 26 Cb -0.09 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1c8m s PRO 26 CO -0.13 -2.22 0.00 0.91 0.04 0.00 0.00 177.00 175.60 1c8m n TRP 27 N -3.94 0.00 -2.24 0.56 8.01 -1.26 -4.92 117.44 113.65 1c8m n TRP 27 Ca 0.11 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.88 1c8m n TRP 27 Cb 0.52 -1.12 -0.03 0.00 -2.01 0.00 0.00 31.31 28.68 1c8m n TRP 27 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.69 176.21 1c8m s TYR 28 N -1.19 3.28 -0.28 -5.99 5.04 -1.18 -5.02 117.35 112.02 1c8m s TYR 28 Ca 0.00 1.26 -0.03 0.00 -2.44 0.00 0.00 57.07 55.86 1c8m s TYR 28 Cb 0.00 -3.57 0.03 0.00 0.35 0.00 0.00 41.96 38.77 1c8m s TYR 28 CO 0.00 -1.77 -0.01 -1.58 -1.34 0.00 0.00 175.55 170.85 1c8m s HIS 29 N 0.08 3.16 0.72 4.97 5.65 -1.26 -5.10 115.29 123.51 1c8m s HIS 29 Ca 0.56 -1.61 -0.16 0.00 0.25 0.00 0.00 55.06 54.10 1c8m s HIS 29 Cb -0.36 -2.11 0.03 0.00 -1.18 0.00 0.00 32.58 28.96 1c8m s HIS 29 CO 0.38 -0.74 1.24 -2.30 -0.65 0.00 0.00 174.74 172.67 1c8m n PRO 30 N 4.68 0.68 -1.75 2.88 -0.02 -1.26 -4.94 135.00 135.27 1c8m n PRO 30 Ca -0.15 0.30 -0.42 0.00 -2.02 0.00 0.00 63.50 61.21 1c8m n PRO 30 Cb 0.45 -2.48 -0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1c8m n PRO 30 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1c8m n THR 31 N -2.55 1.81 -1.72 3.45 -1.04 -1.26 -4.90 114.28 108.07 1c8m n THR 31 Ca 0.15 -0.45 -0.40 0.00 -2.04 0.00 0.00 64.05 61.30 1c8m n THR 31 Cb 0.49 -1.89 0.02 0.00 -1.82 0.00 0.00 70.33 67.13 1c8m n THR 31 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1c8m n LYS 32 N 0.78 1.95 -2.80 -2.82 2.85 -1.26 -4.93 118.16 111.94 1c8m n LYS 32 Ca 0.03 0.70 -0.42 0.00 -1.05 0.00 0.00 58.31 57.57 1c8m n LYS 32 Cb 0.38 -2.46 -0.03 0.00 -0.65 0.00 0.00 35.03 32.27 1c8m n LYS 32 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1c8m s GLU 33 N -2.35 4.30 0.42 -1.58 2.12 -1.26 -5.05 118.70 115.31 1c8m s GLU 33 Ca 0.62 1.16 0.06 0.00 0.36 0.00 0.00 54.97 57.18 1c8m s GLU 33 Cb -0.48 -3.59 0.01 0.00 0.26 0.00 0.00 34.13 30.33 1c8m s GLU 33 CO 0.57 -0.41 0.59 0.96 -0.54 0.00 0.00 175.26 176.42 1c8m s ILE 34 N 2.41 3.26 -0.02 -3.70 -4.36 -1.26 -5.07 121.20 112.47 1c8m s ILE 34 Ca 0.41 -0.91 -0.27 0.00 -0.26 0.00 0.00 60.65 59.62 1c8m s ILE 34 Cb -0.16 -3.13 -0.04 0.00 1.25 0.00 0.00 42.46 40.38 1c8m s ILE 34 CO 0.12 -0.06 0.84 0.12 0.24 0.00 0.00 174.94 176.20 1c8m s PHE 35 N -2.39 3.64 -0.08 1.37 2.19 -1.26 -5.04 117.98 116.41 1c8m s PHE 35 Ca 0.53 1.50 0.02 0.00 0.33 0.00 0.00 56.93 59.31 1c8m s PHE 35 Cb -0.10 -2.96 0.01 0.00 -1.31 0.00 0.00 43.02 38.66 1c8m s PHE 35 CO 0.34 0.07 -0.14 0.42 1.83 0.00 0.00 175.22 177.73 1c8m s ILE 36 N 0.77 1.32 0.67 3.12 1.01 -1.26 -5.13 121.20 121.70 1c8m s ILE 36 Ca 0.45 -0.57 -0.15 0.00 0.00 0.00 0.00 60.65 60.37 1c8m s ILE 36 Cb -0.20 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.09 1c8m s ILE 36 CO 0.24 0.40 1.14 -2.84 0.00 0.00 0.00 174.94 173.87 1c8m s PRO 37 N 0.68 2.64 0.00 2.79 0.02 -1.26 -4.17 135.00 135.70 1c8m s PRO 37 Ca -0.14 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.40 1c8m s PRO 37 Cb -0.16 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.44 1c8m s PRO 37 CO 0.04 -1.40 0.00 0.41 -0.33 0.00 0.00 177.00 175.72 1c8m n GLY 38 N -0.18 0.76 3.76 0.52 0.00 -1.26 -5.04 105.19 103.75 1c8m n GLY 38 Ca 0.11 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 1c8m n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1c8m s GLU 39 N -1.73 4.33 -0.10 1.61 2.12 -1.26 -5.02 118.70 118.65 1c8m s GLU 39 Ca 0.00 2.23 0.01 0.00 0.36 0.00 0.00 54.97 57.57 1c8m s GLU 39 Cb 0.00 -3.09 -0.02 0.00 0.26 0.00 0.00 34.13 31.28 1c8m s GLU 39 CO 0.00 -0.27 -0.12 0.08 -0.54 0.00 0.00 175.26 174.41 1c8m s VAL 40 N -0.70 3.18 -0.02 3.70 1.01 -1.26 -5.00 120.40 121.31 1c8m s VAL 40 Ca 0.53 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1c8m s VAL 40 Cb -0.40 -2.31 -0.08 0.00 0.00 0.00 0.00 36.38 33.59 1c8m s VAL 40 CO 0.49 0.55 0.10 0.29 0.00 0.00 0.00 175.10 176.53 1c8m n LYS 41 N 3.04 0.87 -3.78 2.72 5.02 -1.26 -5.03 118.16 119.75 1c8m n LYS 41 Ca -0.18 -0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 55.95 1c8m n LYS 41 Cb 0.53 -1.14 -0.12 0.00 -0.02 0.00 0.00 35.03 34.28 1c8m n LYS 41 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1c8m s ASN 42 N -2.89 -0.24 0.30 4.39 3.84 -1.26 -5.03 114.94 114.05 1c8m s ASN 42 Ca -0.02 0.48 0.22 0.00 0.21 0.00 0.00 52.86 53.74 1c8m s ASN 42 Cb 0.03 0.46 1.12 0.00 -0.55 0.00 0.00 41.25 42.31 1c8m s ASN 42 CO 0.23 -0.10 1.66 0.18 -2.79 0.00 0.00 177.10 176.29 1c8m n LEU 43 N 3.18 0.58 0.27 3.21 4.77 -1.26 -1.76 117.00 125.99 1c8m n LEU 43 Ca -0.15 0.74 0.13 0.00 -0.03 0.00 0.00 56.01 56.70 1c8m n LEU 43 Cb 0.57 -0.78 0.78 0.00 -2.33 0.00 0.00 43.42 41.66 1c8m n LEU 43 CO 0.18 -0.87 1.02 -0.29 -1.33 0.00 0.00 177.39 176.10 1c8m h ILE 44 N 0.00 0.59 0.00 -0.08 6.09 -1.98 -0.98 117.51 121.15 1c8m h ILE 44 Ca 0.00 -0.35 -0.03 0.00 -1.37 0.00 0.00 64.86 63.11 1c8m h ILE 44 Cb 0.08 1.22 -0.00 0.00 0.47 0.00 0.00 36.82 38.59 1c8m h ILE 44 CO 0.00 0.08 -0.14 -0.33 -3.07 0.00 0.00 178.15 174.69 1c8m h GLU 45 N 0.00 0.00 0.00 2.19 5.08 -1.78 -2.42 114.58 117.65 1c8m h GLU 45 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1c8m h GLU 45 Cb 0.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1c8m h GLU 45 CO 0.01 0.14 -1.46 0.52 -1.00 0.00 0.00 179.01 177.22 1c8m h MET 46 N 0.00 0.00 0.00 2.33 2.86 -1.38 -3.31 114.93 115.43 1c8m h MET 46 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1c8m h MET 46 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1c8m h MET 46 CO 0.02 0.35 0.00 0.00 1.06 0.00 0.00 176.91 178.34 1c8m n GLN 48 N -2.30 2.08 -4.36 0.00 6.02 -0.99 -0.86 117.38 116.97 1c8m n GLN 48 Ca 0.04 -1.64 -0.34 0.00 -0.01 0.00 0.00 57.00 55.05 1c8m n GLN 48 Cb 0.34 -1.43 -0.11 0.00 1.02 0.00 0.00 30.24 30.07 1c8m n GLN 48 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1c8m s VAL 49 N -1.58 4.08 0.36 5.09 1.01 -1.17 -4.76 120.40 123.44 1c8m s VAL 49 Ca 0.34 -0.30 -0.27 0.00 0.00 0.00 0.00 61.98 61.75 1c8m s VAL 49 Cb 0.19 -2.77 -0.09 0.00 0.00 0.00 0.00 36.38 33.70 1c8m s VAL 49 CO 0.27 0.52 1.27 -1.81 0.00 0.00 0.00 175.10 175.35 1c8m s ASP 50 N 0.01 6.61 0.03 3.32 -0.00 -1.26 -4.67 116.67 120.70 1c8m s ASP 50 Ca 0.02 2.60 -0.01 0.00 -0.00 0.00 0.00 52.55 55.16 1c8m s ASP 50 Cb -0.13 -2.64 -0.03 0.00 -0.00 0.00 0.00 42.92 40.12 1c8m s ASP 50 CO 0.02 -0.64 -0.02 0.42 -0.00 0.00 0.00 175.17 174.95 1c8m s THR 51 N -1.22 0.15 0.32 -1.27 -4.23 -1.13 -4.93 115.64 103.34 1c8m s THR 51 Ca 0.53 -1.24 -0.28 0.00 -1.18 0.00 0.00 61.69 59.52 1c8m s THR 51 Cb -0.37 -0.74 -0.09 0.00 1.34 0.00 0.00 72.50 72.63 1c8m s THR 51 CO 0.49 -0.68 1.11 -0.76 -0.54 0.00 0.00 174.62 174.23 1c8m s LEU 52 N -2.01 4.41 -0.18 4.79 1.43 -1.26 -1.97 118.68 123.89 1c8m s LEU 52 Ca -0.07 2.25 -0.16 0.00 -1.03 0.00 0.00 54.13 55.12 1c8m s LEU 52 Cb -0.03 -3.80 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 1c8m s LEU 52 CO -0.04 -0.31 0.39 -0.63 0.23 0.00 0.00 176.35 175.98 1c8m s ILE 53 N -1.30 5.22 -1.43 -0.59 1.01 0.18 -4.71 121.20 119.58 1c8m s ILE 53 Ca 0.49 0.71 -0.12 0.00 0.00 0.00 0.00 60.65 61.73 1c8m s ILE 53 Cb -0.30 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1c8m s ILE 53 CO 0.38 0.30 2.51 -0.81 0.00 0.00 0.00 174.94 177.32 1c8m n PRO 54 N 4.13 3.04 0.20 2.79 -0.04 -1.26 -4.63 135.00 139.23 1c8m n PRO 54 Ca -0.09 -2.26 0.05 0.00 -0.04 0.00 0.00 63.50 61.16 1c8m n PRO 54 Cb 0.51 -2.97 0.44 0.00 -0.04 0.00 0.00 33.50 31.44 1c8m n PRO 54 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1c8m h ILE 55 N 3.56 1.11 -0.98 0.52 2.10 -1.80 -2.77 117.51 119.25 1c8m h ILE 55 Ca 0.68 -1.07 -0.65 0.00 1.08 0.00 0.00 64.86 64.90 1c8m h ILE 55 Cb 0.44 1.59 -0.30 0.00 -1.09 0.00 0.00 36.82 37.47 1c8m h ILE 55 CO 1.81 0.30 0.73 -3.20 -1.08 0.00 0.00 178.15 176.71 1c8m n ASN 56 N -4.03 7.17 -2.64 2.19 5.15 -0.14 -4.81 115.26 118.15 1c8m n ASN 56 Ca -0.02 -3.77 -0.23 0.00 -0.60 0.00 0.00 54.58 49.96 1c8m n ASN 56 Cb 0.36 -0.92 -0.09 0.00 -0.53 0.00 0.00 39.78 38.60 1c8m n ASN 56 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1c8m n SER 57 N -0.92 6.39 -4.81 1.20 3.41 -1.05 -4.46 113.62 113.37 1c8m n SER 57 Ca 0.61 -2.46 -0.29 0.00 -0.26 0.00 0.00 58.87 56.47 1c8m n SER 57 Cb 0.76 -1.39 0.13 0.00 -0.26 0.00 0.00 64.21 63.45 1c8m n SER 57 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1c8m s THR 58 N 1.75 2.01 0.30 6.66 -4.23 -1.26 -4.74 115.64 116.13 1c8m s THR 58 Ca 0.63 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 61.13 1c8m s THR 58 Cb 0.23 -2.81 0.22 0.00 1.34 0.00 0.00 72.50 71.48 1c8m s THR 58 CO -0.03 -0.01 1.91 -0.61 -0.54 0.00 0.00 174.62 175.35 1c8m h GLN 59 N -1.40 0.95 0.00 3.99 4.15 -1.96 -1.54 115.11 119.30 1c8m h GLN 59 Ca -0.50 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 58.81 1c8m h GLN 59 Cb 1.33 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1c8m h GLN 59 CO 0.63 0.71 0.00 -1.13 -1.93 0.00 0.00 178.83 177.11 1c8m n SER 60 N -4.36 0.43 -0.10 -0.69 3.41 -1.26 -3.55 113.62 107.50 1c8m n SER 60 Ca 0.07 0.58 -0.12 0.00 -0.26 0.00 0.00 58.87 59.14 1c8m n SER 60 Cb 0.11 -0.68 -0.15 0.00 -0.26 0.00 0.00 64.21 63.23 1c8m n SER 60 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1c8m n ASN 61 N -1.95 0.57 -4.67 4.04 3.02 -0.66 -4.95 115.26 110.66 1c8m n ASN 61 Ca 0.04 -0.02 -0.48 0.00 -0.03 0.00 0.00 54.58 54.09 1c8m n ASN 61 Cb 0.26 0.58 -0.05 0.00 -0.61 0.00 0.00 39.78 39.96 1c8m n ASN 61 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1c8m n ILE 62 N -2.90 0.20 0.00 2.41 5.41 -0.70 -1.26 119.36 122.51 1c8m n ILE 62 Ca -0.36 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.35 1c8m n ILE 62 Cb 1.11 -1.58 0.00 0.00 -0.71 0.00 0.00 39.64 38.46 1c8m n ILE 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1c8m n GLY 63 N 3.69 1.14 3.06 7.39 0.00 -1.26 -5.03 105.19 114.19 1c8m n GLY 63 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 1c8m n GLY 63 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1c8m s ASN 64 N -2.00 0.41 0.40 1.61 3.84 -0.39 -5.02 114.94 113.79 1c8m s ASN 64 Ca 0.00 -0.85 0.28 0.00 0.21 0.00 0.00 52.86 52.51 1c8m s ASN 64 Cb 0.00 0.18 1.06 0.00 -0.55 0.00 0.00 41.25 41.94 1c8m s ASN 64 CO 0.00 -0.52 1.83 -0.37 -2.79 0.00 0.00 177.10 175.25 1c8m h VAL 65 N 3.56 0.00 0.00 -5.21 -1.51 -1.99 -2.77 116.25 108.33 1c8m h VAL 65 Ca -0.33 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 1c8m h VAL 65 Cb 1.16 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.68 1c8m h VAL 65 CO 0.59 0.00 0.00 -1.54 -1.23 0.00 0.00 177.57 175.39 1c8m n SER 66 N -2.70 0.00 0.00 4.19 3.41 -1.26 -1.70 113.62 115.56 1c8m n SER 66 Ca 0.02 0.03 0.13 0.00 -0.26 0.00 0.00 58.87 58.79 1c8m n SER 66 Cb 0.32 -0.24 0.65 0.00 -0.26 0.00 0.00 64.21 64.67 1c8m n SER 66 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1c8m n MET 67 N -1.24 0.28 0.00 4.33 0.00 -1.05 -3.06 117.12 116.38 1c8m n MET 67 Ca 0.06 0.04 0.10 0.00 0.00 0.00 0.00 57.70 57.90 1c8m n MET 67 Cb 0.09 -1.50 0.01 0.00 0.00 0.00 0.00 33.22 31.82 1c8m n MET 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1c8m n TYR 68 N -1.34 0.00 -4.97 3.17 4.02 -0.69 -0.96 117.16 116.38 1c8m n TYR 68 Ca 0.11 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.69 1c8m n TYR 68 Cb 0.24 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.41 1c8m n TYR 68 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1c8m s THR 69 N -2.24 2.28 -0.15 -0.72 -4.23 -1.17 -4.25 115.64 105.16 1c8m s THR 69 Ca 0.18 -1.25 -0.04 0.00 -1.18 0.00 0.00 61.69 59.40 1c8m s THR 69 Cb 0.17 -1.87 -0.03 0.00 1.34 0.00 0.00 72.50 72.10 1c8m s THR 69 CO 0.49 0.43 -0.02 -0.69 -0.54 0.00 0.00 174.62 174.29 1c8m s VAL 70 N -0.77 4.05 -0.06 2.29 1.01 -0.71 -4.62 120.40 121.58 1c8m s VAL 70 Ca 0.12 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 1c8m s VAL 70 Cb -0.10 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1c8m s VAL 70 CO 0.02 0.51 0.45 -0.89 0.00 0.00 0.00 175.10 175.18 1c8m s THR 71 N 0.15 5.10 0.21 3.92 2.01 -1.26 -1.34 115.64 124.43 1c8m s THR 71 Ca -0.00 0.91 0.10 0.00 0.31 0.00 0.00 61.69 63.01 1c8m s THR 71 Cb -0.13 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1c8m s THR 71 CO 0.02 0.44 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.52 1c8m s LEU 72 N -0.12 2.89 0.07 4.42 1.43 0.45 -4.97 118.68 122.84 1c8m s LEU 72 Ca 0.25 -0.69 -0.27 0.00 -1.03 0.00 0.00 54.13 52.39 1c8m s LEU 72 Cb -0.16 -1.53 0.09 0.00 0.03 0.00 0.00 46.19 44.62 1c8m s LEU 72 CO 0.12 0.08 0.99 -0.94 0.23 0.00 0.00 176.35 176.82 1c8m s SER 73 N -3.05 -0.22 0.09 2.29 1.04 -1.26 -1.89 113.70 110.70 1c8m s SER 73 Ca 0.26 -0.23 -0.31 0.00 0.48 0.00 0.00 55.95 56.15 1c8m s SER 73 Cb -0.08 0.40 -0.10 0.00 0.10 0.00 0.00 66.02 66.35 1c8m s SER 73 CO 0.15 -0.71 1.83 -2.84 0.98 0.00 0.00 173.24 172.65 1c8m s PRO 74 N -3.09 4.15 0.23 4.02 0.02 -1.26 -4.46 135.00 134.61 1c8m s PRO 74 Ca 0.10 2.55 -0.04 0.00 0.02 0.00 0.00 61.00 63.63 1c8m s PRO 74 Cb -0.01 -3.74 -0.05 0.00 0.02 0.00 0.00 34.50 30.73 1c8m s PRO 74 CO -0.02 -0.85 0.48 -0.65 -0.33 0.00 0.00 177.00 175.63 1c8m s GLN 75 N 3.16 3.62 -0.02 5.54 -1.52 -1.26 -5.01 119.66 124.18 1c8m s GLN 75 Ca 0.81 -0.06 0.17 0.00 -1.95 0.00 0.00 55.36 54.33 1c8m s GLN 75 Cb -0.44 -2.73 -0.23 0.00 -0.22 0.00 0.00 33.01 29.39 1c8m s GLN 75 CO 0.37 0.32 0.48 0.25 -0.25 0.00 0.00 175.29 176.46 1c8m n THR 76 N -0.59 0.00 -4.42 -0.19 -2.24 -1.26 -4.94 114.28 100.63 1c8m n THR 76 Ca -0.02 -0.29 -0.30 0.00 -2.27 0.00 0.00 64.05 61.16 1c8m n THR 76 Cb 0.53 0.42 -0.11 0.00 -2.10 0.00 0.00 70.33 69.07 1c8m n THR 76 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1c8m s LYS 77 N -2.95 2.01 0.45 -0.78 1.02 -1.26 -5.13 119.74 113.09 1c8m s LYS 77 Ca -0.02 -1.04 -0.11 0.00 0.02 0.00 0.00 55.97 54.82 1c8m s LYS 77 Cb 0.11 -2.21 -0.06 0.00 -0.52 0.00 0.00 37.83 35.15 1c8m s LYS 77 CO 0.69 0.52 0.82 -0.51 -0.92 0.00 0.00 175.35 175.95 1c8m s LEU 78 N -1.86 3.73 -1.46 3.17 1.43 -1.26 -4.37 118.68 118.06 1c8m s LEU 78 Ca 0.17 1.20 -0.10 0.00 -1.03 0.00 0.00 54.13 54.37 1c8m s LEU 78 Cb -0.11 -4.11 0.06 0.00 0.03 0.00 0.00 46.19 42.07 1c8m s LEU 78 CO 0.09 -0.48 0.91 0.00 0.23 0.00 0.00 176.35 177.10 1c8m n ALA 79 N -1.55 -1.49 -1.72 4.21 0.00 -1.26 -4.97 120.51 113.73 1c8m n ALA 79 Ca 0.03 0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.25 1c8m n ALA 79 Cb 0.54 -3.84 0.00 0.00 0.00 0.00 0.00 19.45 16.16 1c8m n ALA 79 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1c8m s GLU 80 N -6.44 3.47 0.19 0.00 0.41 -1.26 -4.49 118.70 110.58 1c8m s GLU 80 Ca 0.48 1.09 -0.23 0.00 -0.41 0.00 0.00 54.97 55.89 1c8m s GLU 80 Cb -0.24 -2.06 -0.08 0.00 -1.78 0.00 0.00 34.13 29.97 1c8m s GLU 80 CO 0.82 -0.67 0.76 -2.00 -0.49 0.00 0.00 175.26 173.68 1c8m s GLU 81 N -4.21 4.46 -0.22 1.61 2.12 -1.26 -1.46 118.70 119.74 1c8m s GLU 81 Ca 0.61 1.06 -0.09 0.00 0.36 0.00 0.00 54.97 56.91 1c8m s GLU 81 Cb -0.14 -3.13 -0.10 0.00 0.26 0.00 0.00 34.13 31.03 1c8m s GLU 81 CO 0.38 0.51 -0.27 -0.89 -0.54 0.00 0.00 175.26 174.45 1c8m n ILE 82 N 1.30 1.19 -3.75 -3.70 5.41 0.16 -4.95 119.36 115.02 1c8m n ILE 82 Ca -0.05 -0.32 -0.09 0.00 1.00 0.00 0.00 62.75 63.29 1c8m n ILE 82 Cb 0.50 -1.72 -0.03 0.00 -0.71 0.00 0.00 39.64 37.68 1c8m n ILE 82 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1c8m s PHE 83 N -2.40 -0.20 -0.23 1.39 -0.71 -1.21 -4.98 117.98 109.64 1c8m s PHE 83 Ca -0.30 -0.17 -0.11 0.00 -1.04 0.00 0.00 56.93 55.31 1c8m s PHE 83 Cb 0.11 0.55 0.08 0.00 -1.21 0.00 0.00 43.02 42.55 1c8m s PHE 83 CO 0.39 -1.05 0.55 0.00 -1.34 0.00 0.00 175.22 173.77 1c8m s ALA 84 N -3.88 -1.51 0.10 1.99 0.00 -1.26 -1.70 121.76 115.49 1c8m s ALA 84 Ca 0.09 1.97 -0.02 0.00 0.00 0.00 0.00 51.96 54.01 1c8m s ALA 84 Cb -0.03 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 1c8m s ALA 84 CO 0.00 -0.48 0.04 0.96 0.00 0.00 0.00 175.76 176.29 1c8m s ILE 85 N 1.90 0.15 0.47 0.00 -4.36 -0.27 -4.99 121.20 114.09 1c8m s ILE 85 Ca -0.08 -1.80 -0.19 0.00 -0.26 0.00 0.00 60.65 58.32 1c8m s ILE 85 Cb -0.08 -1.79 -0.09 0.00 1.25 0.00 0.00 42.46 41.75 1c8m s ILE 85 CO -0.16 -0.67 0.97 -0.54 0.24 0.00 0.00 174.94 174.78 1c8m s LYS 86 N -3.98 4.06 0.00 0.37 1.02 -1.26 -1.08 119.74 118.87 1c8m s LYS 86 Ca 0.16 1.08 0.25 0.00 0.02 0.00 0.00 55.97 57.48 1c8m s LYS 86 Cb 0.07 -2.15 0.53 0.00 -0.52 0.00 0.00 37.83 35.76 1c8m s LYS 86 CO -0.04 -0.17 1.43 1.55 -0.92 0.00 0.00 175.35 177.20 1c8m n VAL 87 N -1.05 0.00 -1.68 3.17 3.14 -0.46 -4.75 118.33 116.70 1c8m n VAL 87 Ca 0.07 -0.01 -0.45 0.00 -2.96 0.00 0.00 64.34 60.99 1c8m n VAL 87 Cb 0.54 0.25 -0.04 0.00 -1.06 0.00 0.00 33.84 33.53 1c8m n VAL 87 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1c8m n ASP 88 N -1.45 3.69 -0.28 6.55 9.92 -1.26 -4.86 116.55 128.87 1c8m n ASP 88 Ca 0.06 0.98 0.31 0.00 -0.53 0.00 0.00 54.79 55.61 1c8m n ASP 88 Cb 0.34 -1.46 0.70 0.00 -0.64 0.00 0.00 41.12 40.06 1c8m n ASP 88 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1c8m h ILE 89 N 5.00 0.48 -0.21 0.53 6.09 -1.91 -0.24 117.51 127.25 1c8m h ILE 89 Ca -0.48 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 1c8m h ILE 89 Cb 1.25 0.39 0.00 0.00 0.47 0.00 0.00 36.82 38.93 1c8m h ILE 89 CO 0.94 0.01 0.00 0.00 -3.07 0.00 0.00 178.15 176.03 1c8m n ALA 90 N -2.70 2.37 -1.52 0.18 0.00 -1.26 -4.25 120.51 113.34 1c8m n ALA 90 Ca 0.23 -1.60 -0.17 0.00 0.00 0.00 0.00 53.44 51.90 1c8m n ALA 90 Cb 1.09 -0.42 0.19 0.00 0.00 0.00 0.00 19.45 20.30 1c8m n ALA 90 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1c8m n SER 91 N -0.19 -0.62 -0.10 0.00 3.41 -0.10 -4.52 113.62 111.50 1c8m n SER 91 Ca 0.12 -1.28 -0.11 0.00 -0.26 0.00 0.00 58.87 57.34 1c8m n SER 91 Cb 0.54 -0.85 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 1c8m n SER 91 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1c8m h HIS 92 N -1.96 0.54 0.00 7.33 3.86 -1.93 0.86 115.15 123.85 1c8m h HIS 92 Ca -0.35 -0.09 -0.09 0.00 -1.16 0.00 0.00 60.37 58.68 1c8m h HIS 92 Cb 1.01 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.33 1c8m h HIS 92 CO 0.00 0.63 -0.41 -1.00 0.86 0.00 0.00 177.93 178.00 1c8m h PRO 93 N 0.29 0.00 -0.61 2.45 0.13 -1.90 -3.29 132.00 129.07 1c8m h PRO 93 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1c8m h PRO 93 Cb 0.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.53 1c8m h PRO 93 CO 0.01 0.41 0.00 1.47 -0.23 0.00 0.00 178.00 179.66 1c8m n LEU 94 N -3.55 3.57 -0.13 1.56 -0.00 -1.14 -4.24 117.00 113.07 1c8m n LEU 94 Ca -0.00 -1.79 -0.08 0.00 -0.00 0.00 0.00 56.01 54.13 1c8m n LEU 94 Cb 0.53 -0.46 0.06 0.00 -0.00 0.00 0.00 43.42 43.55 1c8m n LEU 94 CO 0.38 0.71 0.73 0.00 -0.00 0.00 0.00 177.39 179.20 1c8m h ALA 95 N 3.92 0.85 -0.02 1.47 0.00 -0.89 -3.00 119.26 121.58 1c8m h ALA 95 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1c8m h ALA 95 Cb 1.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1c8m h ALA 95 CO 0.11 0.64 0.00 0.25 0.00 0.00 0.00 179.25 180.26 1c8m n THR 96 N -4.13 0.03 -1.56 0.00 -2.24 -1.26 -2.42 114.28 102.70 1c8m n THR 96 Ca 0.01 -0.06 -0.29 0.00 -2.27 0.00 0.00 64.05 61.44 1c8m n THR 96 Cb 0.41 -0.20 0.12 0.00 -2.10 0.00 0.00 70.33 68.55 1c8m n THR 96 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1c8m s THR 97 N -1.97 2.41 0.15 4.28 -4.23 -1.13 -4.76 115.64 110.39 1c8m s THR 97 Ca 0.33 0.13 -0.15 0.00 -1.18 0.00 0.00 61.69 60.82 1c8m s THR 97 Cb 0.16 -2.89 0.03 0.00 1.34 0.00 0.00 72.50 71.13 1c8m s THR 97 CO 0.26 -0.17 1.72 0.25 -0.54 0.00 0.00 174.62 176.13 1c8m h LEU 98 N -1.32 0.63 -1.15 4.79 5.85 -1.89 0.11 115.31 122.32 1c8m h LEU 98 Ca -0.49 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.01 1c8m h LEU 98 Cb 1.31 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1c8m h LEU 98 CO 0.61 0.59 -0.21 -0.29 -0.34 0.00 0.00 178.44 178.81 1c8m h ILE 99 N 0.62 1.23 -0.20 4.05 2.10 -1.88 -1.31 117.51 122.12 1c8m h ILE 99 Ca 0.16 -1.08 -0.15 0.00 1.08 0.00 0.00 64.86 64.86 1c8m h ILE 99 Cb 0.14 1.32 -0.01 0.00 -1.09 0.00 0.00 36.82 37.19 1c8m h ILE 99 CO -0.02 0.34 -0.52 1.23 -1.08 0.00 0.00 178.15 178.10 1c8m h GLY 100 N 0.94 0.62 1.09 8.18 0.00 -1.59 -0.04 103.07 112.27 1c8m h GLY 100 Ca 0.05 -0.69 -0.14 0.00 0.00 0.00 0.00 47.33 46.55 1c8m h GLY 100 CO 0.04 0.62 -0.31 0.83 0.00 0.00 0.00 176.54 177.72 1c8m h GLU 101 N 0.44 0.92 -0.26 4.80 4.39 -0.43 -2.02 114.58 122.43 1c8m h GLU 101 Ca 0.02 -0.45 -0.17 0.00 0.34 0.00 0.00 59.36 59.09 1c8m h GLU 101 Cb 1.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1c8m h GLU 101 CO 0.10 1.11 -0.51 0.82 -1.16 0.00 0.00 179.01 179.36 1c8m h ILE 102 N 0.74 1.29 0.00 3.13 2.04 -1.21 -2.87 117.51 120.63 1c8m h ILE 102 Ca 0.07 -1.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 1c8m h ILE 102 Cb 0.90 1.72 -0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1c8m h ILE 102 CO 0.08 0.55 -0.03 0.00 0.00 0.00 0.00 178.15 178.75 1c8m h ALA 103 N 0.65 1.60 0.00 1.87 0.00 -0.94 -0.94 119.26 121.50 1c8m h ALA 103 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1c8m h ALA 103 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1c8m h ALA 103 CO 0.11 0.04 0.00 0.43 0.00 0.00 0.00 179.25 179.83 1c8m n SER 104 N -3.99 0.00 -0.94 0.00 7.64 -0.76 -2.15 113.62 113.42 1c8m n SER 104 Ca -0.03 -0.63 0.09 0.00 1.01 0.00 0.00 58.87 59.31 1c8m n SER 104 Cb 0.11 -0.06 0.19 0.00 -1.01 0.00 0.00 64.21 63.44 1c8m n SER 104 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1c8m n TYR 105 N -1.06 0.48 -4.17 1.43 4.02 -0.36 -3.90 117.16 113.60 1c8m n TYR 105 Ca 0.17 -0.31 -0.15 0.00 -0.01 0.00 0.00 57.90 57.60 1c8m n TYR 105 Cb 0.11 -0.01 -0.11 0.00 -0.02 0.00 0.00 39.34 39.31 1c8m n TYR 105 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1c8m s PHE 106 N -1.20 1.06 -0.06 -0.72 0.40 -0.91 -0.15 117.98 116.39 1c8m s PHE 106 Ca 0.32 -0.62 0.13 0.00 -0.60 0.00 0.00 56.93 56.17 1c8m s PHE 106 Cb 0.18 -0.58 -0.20 0.00 0.51 0.00 0.00 43.02 42.93 1c8m s PHE 106 CO 0.25 0.00 0.74 1.15 0.70 0.00 0.00 175.22 178.07 1c8m h THR 107 N 3.71 0.79 -3.45 0.64 2.02 0.34 -3.43 112.91 113.54 1c8m h THR 107 Ca -0.38 -2.54 -0.57 0.00 0.77 0.00 0.00 66.41 63.69 1c8m h THR 107 Cb 1.19 2.34 -0.19 0.00 -1.74 0.00 0.00 68.15 69.75 1c8m h THR 107 CO 0.50 0.45 -0.81 -1.00 0.37 0.00 0.00 175.52 175.04 1c8m s HIS 108 N -2.69 1.95 0.06 3.16 3.76 -0.55 -1.12 115.29 119.85 1c8m s HIS 108 Ca -0.04 -0.43 -0.04 0.00 -0.15 0.00 0.00 55.06 54.41 1c8m s HIS 108 Cb 0.08 -0.99 -0.03 0.00 1.11 0.00 0.00 32.58 32.75 1c8m s HIS 108 CO 0.82 0.34 0.04 1.67 -0.85 0.00 0.00 174.74 176.76 1c8m s TRP 109 N -1.71 0.38 0.22 1.40 1.48 0.04 -1.18 118.94 119.57 1c8m s TRP 109 Ca 0.15 -0.87 -0.19 0.00 -1.06 0.00 0.00 56.10 54.12 1c8m s TRP 109 Cb -0.07 -0.27 0.03 0.00 -1.16 0.00 0.00 33.47 31.99 1c8m s TRP 109 CO 0.07 -0.42 0.60 -0.08 -4.06 0.00 0.00 176.95 173.06 1c8m s THR 110 N -3.76 0.01 0.00 0.66 -1.32 -0.42 -1.26 115.64 109.55 1c8m s THR 110 Ca 0.05 -0.79 0.00 0.00 -1.21 0.00 0.00 61.69 59.75 1c8m s THR 110 Cb 0.06 -1.69 0.00 0.00 -1.51 0.00 0.00 72.50 69.36 1c8m s THR 110 CO -0.10 -0.04 0.00 0.61 -2.21 0.00 0.00 174.62 172.88 1c8m n GLY 111 N -0.39 1.35 3.89 6.08 0.00 -1.25 -1.75 105.19 113.12 1c8m n GLY 111 Ca -0.08 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.54 1c8m n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c8m s SER 112 N 0.00 6.52 0.05 1.61 0.01 -1.26 -4.35 113.70 116.28 1c8m s SER 112 Ca 0.00 0.63 0.04 0.00 1.31 0.00 0.00 55.95 57.93 1c8m s SER 112 Cb 0.00 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 1c8m s SER 112 CO 0.00 0.10 -0.02 -0.76 0.41 0.00 0.00 173.24 172.97 1c8m s LEU 113 N -2.41 3.41 -0.26 2.44 1.43 -0.67 -1.05 118.68 121.57 1c8m s LEU 113 Ca 0.38 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1c8m s LEU 113 Cb -0.13 -2.06 0.05 0.00 0.03 0.00 0.00 46.19 44.08 1c8m s LEU 113 CO 0.22 0.22 -0.09 -0.60 0.23 0.00 0.00 176.35 176.33 1c8m s ARG 114 N -1.94 2.47 -0.19 1.70 3.52 0.13 -0.53 118.95 124.13 1c8m s ARG 114 Ca 0.22 -1.21 -0.08 0.00 -0.13 0.00 0.00 55.73 54.53 1c8m s ARG 114 Cb -0.12 -2.92 -0.04 0.00 -1.56 0.00 0.00 34.95 30.31 1c8m s ARG 114 CO 0.14 -0.51 0.09 -0.06 -0.81 0.00 0.00 175.30 174.15 1c8m s PHE 115 N 1.19 3.31 0.17 5.12 0.08 -0.10 -1.77 117.98 125.98 1c8m s PHE 115 Ca -0.05 0.17 0.11 0.00 0.12 0.00 0.00 56.93 57.28 1c8m s PHE 115 Cb -0.18 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 1c8m s PHE 115 CO -0.05 0.21 -0.25 -1.12 -0.10 0.00 0.00 175.22 173.91 1c8m s SER 116 N 0.35 3.31 -0.02 1.36 0.01 -0.47 -0.02 113.70 118.21 1c8m s SER 116 Ca 0.05 -0.82 0.01 0.00 1.31 0.00 0.00 55.95 56.50 1c8m s SER 116 Cb -0.12 -0.23 0.02 0.00 0.21 0.00 0.00 66.02 65.90 1c8m s SER 116 CO -0.01 0.13 -0.03 -0.36 0.41 0.00 0.00 173.24 173.39 1c8m s PHE 117 N -1.46 0.46 -0.16 2.43 0.40 -0.13 -0.09 117.98 119.42 1c8m s PHE 117 Ca 0.17 -0.08 0.01 0.00 -0.60 0.00 0.00 56.93 56.43 1c8m s PHE 117 Cb -0.09 -0.42 0.01 0.00 0.51 0.00 0.00 43.02 43.03 1c8m s PHE 117 CO 0.08 -0.10 -0.17 1.41 0.70 0.00 0.00 175.22 177.14 1c8m s MET 118 N 0.59 3.12 0.11 0.44 1.75 -0.47 -1.36 119.30 123.48 1c8m s MET 118 Ca -0.07 -0.79 -0.27 0.00 -1.25 0.00 0.00 55.69 53.31 1c8m s MET 118 Cb -0.10 -2.59 -0.06 0.00 2.84 0.00 0.00 34.83 34.92 1c8m s MET 118 CO -0.01 -0.06 0.86 0.12 -0.65 0.00 0.00 175.02 175.28 1c8m s PHE 119 N 0.97 3.82 -0.24 4.11 2.19 -0.56 -1.42 117.98 126.85 1c8m s PHE 119 Ca -0.03 1.66 0.10 0.00 0.33 0.00 0.00 56.93 59.00 1c8m s PHE 119 Cb -0.15 -2.91 0.44 0.00 -1.31 0.00 0.00 43.02 39.09 1c8m s PHE 119 CO -0.04 0.31 1.20 0.00 1.83 0.00 0.00 175.22 178.52 1c8m n GLY 121 N -0.84 0.16 3.84 0.00 0.00 -1.26 -4.35 105.19 102.74 1c8m n GLY 121 Ca 0.30 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 1c8m n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c8m s THR 122 N 0.08 1.99 -0.92 2.61 -4.23 -1.26 -4.92 115.64 108.99 1c8m s THR 122 Ca 0.00 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.70 1c8m s THR 122 Cb 0.00 -2.87 0.16 0.00 1.34 0.00 0.00 72.50 71.14 1c8m s THR 122 CO 0.00 0.00 1.59 0.00 -0.54 0.00 0.00 174.62 175.67 1c8m n ALA 123 N -3.60 1.80 0.06 3.99 0.00 -1.26 -2.22 120.51 119.28 1c8m n ALA 123 Ca 0.08 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.58 1c8m n ALA 123 Cb 0.60 -1.30 0.22 0.00 0.00 0.00 0.00 19.45 18.97 1c8m n ALA 123 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1c8m n ASN 124 N -1.62 3.43 -4.74 0.00 4.13 -1.26 -4.94 115.26 110.25 1c8m n ASN 124 Ca 0.04 -1.96 -0.36 0.00 1.68 0.00 0.00 54.58 53.98 1c8m n ASN 124 Cb 0.22 -0.30 -0.07 0.00 -1.54 0.00 0.00 39.78 38.09 1c8m n ASN 124 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1c8m s THR 125 N -1.25 5.31 0.32 3.41 2.01 -0.94 -4.41 115.64 120.09 1c8m s THR 125 Ca 0.38 0.51 0.09 0.00 0.31 0.00 0.00 61.69 62.98 1c8m s THR 125 Cb 0.21 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 1c8m s THR 125 CO 0.29 0.42 0.04 0.42 -0.69 0.00 0.00 174.62 175.09 1c8m s THR 126 N 0.26 2.93 -0.28 -0.82 -4.23 -0.41 -4.86 115.64 108.24 1c8m s THR 126 Ca 0.16 -1.90 -0.27 0.00 -1.18 0.00 0.00 61.69 58.50 1c8m s THR 126 Cb -0.13 -2.84 0.19 0.00 1.34 0.00 0.00 72.50 71.06 1c8m s THR 126 CO 0.04 -0.25 1.36 -0.22 -0.54 0.00 0.00 174.62 175.01 1c8m s LEU 127 N -3.73 -0.08 -0.06 4.79 2.96 -1.26 -1.85 118.68 119.45 1c8m s LEU 127 Ca 0.35 0.11 0.03 0.00 -0.22 0.00 0.00 54.13 54.39 1c8m s LEU 127 Cb -0.03 1.17 0.01 0.00 0.50 0.00 0.00 46.19 47.84 1c8m s LEU 127 CO 0.20 -0.05 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.52 1c8m s LYS 128 N -0.56 1.62 0.05 1.98 1.02 -1.24 -1.44 119.74 121.17 1c8m s LYS 128 Ca 0.07 -0.42 0.04 0.00 0.02 0.00 0.00 55.97 55.68 1c8m s LYS 128 Cb -0.03 -1.36 -0.02 0.00 -0.52 0.00 0.00 37.83 35.90 1c8m s LYS 128 CO -0.10 0.06 -0.12 0.08 -0.92 0.00 0.00 175.35 174.35 1c8m s VAL 129 N 0.54 0.94 -0.22 3.17 1.01 -0.37 -1.18 120.40 124.28 1c8m s VAL 129 Ca -0.12 -1.08 -0.05 0.00 0.00 0.00 0.00 61.98 60.73 1c8m s VAL 129 Cb -0.14 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1c8m s VAL 129 CO 0.03 -0.16 -0.00 -0.22 0.00 0.00 0.00 175.10 174.75 1c8m s LEU 130 N -1.40 3.10 -0.23 3.92 0.20 0.19 -0.25 118.68 124.22 1c8m s LEU 130 Ca -0.02 -0.31 -0.07 0.00 0.69 0.00 0.00 54.13 54.42 1c8m s LEU 130 Cb -0.09 -1.80 -0.03 0.00 -0.43 0.00 0.00 46.19 43.84 1c8m s LEU 130 CO 0.01 -0.01 0.06 -0.76 -0.29 0.00 0.00 176.35 175.36 1c8m s LEU 131 N 1.43 3.46 0.06 -0.68 1.43 -0.11 -1.18 118.68 123.09 1c8m s LEU 131 Ca 0.05 -0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 1c8m s LEU 131 Cb -0.15 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1c8m s LEU 131 CO -0.00 0.01 -0.19 0.00 0.23 0.00 0.00 176.35 176.40 1c8m s ALA 132 N 1.33 1.61 -0.19 4.21 0.00 -0.08 -0.87 121.76 127.78 1c8m s ALA 132 Ca 0.05 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 1c8m s ALA 132 Cb -0.15 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 1c8m s ALA 132 CO 0.03 0.34 -0.11 -0.47 0.00 0.00 0.00 175.76 175.54 1c8m s TYR 133 N -0.93 2.86 -0.38 0.00 5.04 0.12 -1.29 117.35 122.78 1c8m s TYR 133 Ca 0.05 -1.11 -0.11 0.00 -2.44 0.00 0.00 57.07 53.46 1c8m s TYR 133 Cb -0.09 -1.99 0.03 0.00 0.35 0.00 0.00 41.96 40.26 1c8m s TYR 133 CO 0.02 -0.57 0.21 0.99 -1.34 0.00 0.00 175.55 174.86 1c8m s THR 134 N 1.18 4.55 0.93 4.34 2.01 -0.43 -1.71 115.64 126.51 1c8m s THR 134 Ca 0.02 -0.89 -0.10 0.00 0.31 0.00 0.00 61.69 61.03 1c8m s THR 134 Cb -0.14 -3.55 0.14 0.00 0.01 0.00 0.00 72.50 68.96 1c8m s THR 134 CO -0.04 -0.25 1.07 -2.65 -0.69 0.00 0.00 174.62 172.06 1c8m n PRO 135 N 4.99 -0.49 -0.35 4.92 -0.02 -1.26 -2.30 135.00 140.49 1c8m n PRO 135 Ca -0.12 -0.08 -0.31 0.00 -2.02 0.00 0.00 63.50 60.98 1c8m n PRO 135 Cb 0.46 -2.32 0.29 0.00 -0.02 0.00 0.00 33.50 31.91 1c8m n PRO 135 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1c8m s PRO 136 N -4.53 -3.01 0.00 0.52 0.02 -1.26 -4.42 135.00 122.32 1c8m s PRO 136 Ca 0.66 0.14 0.00 0.00 0.02 0.00 0.00 61.00 61.82 1c8m s PRO 136 Cb -0.23 -1.37 0.00 0.00 0.02 0.00 0.00 34.50 32.93 1c8m s PRO 136 CO 0.59 -4.93 0.00 0.41 -0.33 0.00 0.00 177.00 172.74 1c8m n GLY 137 N 1.46 0.62 3.36 0.52 0.00 -1.26 -5.02 105.19 104.87 1c8m n GLY 137 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 1c8m n GLY 137 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1c8m s ILE 138 N -2.05 0.07 0.92 -0.61 2.07 -1.26 -5.17 121.20 115.16 1c8m s ILE 138 Ca 0.00 -0.86 -0.14 0.00 -1.41 0.00 0.00 60.65 58.24 1c8m s ILE 138 Cb 0.00 -1.42 0.15 0.00 0.13 0.00 0.00 42.46 41.32 1c8m s ILE 138 CO 0.00 -0.31 1.22 -0.83 -1.91 0.00 0.00 174.94 173.11 1c8m s GLY 139 N -2.86 1.66 0.43 1.50 0.00 -1.26 -4.99 107.32 101.79 1c8m s GLY 139 Ca 0.07 -0.85 -0.25 0.00 0.00 0.00 0.00 44.72 43.70 1c8m s GLY 139 CO -0.07 -0.21 1.23 -1.59 0.00 0.00 0.00 173.10 172.45 1c8m s LYS 140 N -5.62 3.87 0.42 2.90 -2.85 -1.26 -4.94 119.74 112.26 1c8m s LYS 140 Ca 0.67 1.96 -0.26 0.00 -1.00 0.00 0.00 55.97 57.34 1c8m s LYS 140 Cb -0.09 -2.60 -0.09 0.00 -2.06 0.00 0.00 37.83 32.99 1c8m s LYS 140 CO 0.52 -0.51 1.42 -1.25 0.10 0.00 0.00 175.35 175.63 1c8m s PRO 141 N -2.43 3.88 0.00 1.78 0.04 -1.26 -4.94 135.00 132.07 1c8m s PRO 141 Ca 0.60 2.41 0.22 0.00 0.04 0.00 0.00 61.00 64.27 1c8m s PRO 141 Cb -0.33 -2.78 -0.02 0.00 0.04 0.00 0.00 34.50 31.41 1c8m s PRO 141 CO 0.42 -0.66 1.07 0.54 0.04 0.00 0.00 177.00 178.41 1c8m n ARG 142 N 0.08 0.85 -3.86 4.56 1.74 -1.26 -4.92 116.66 113.85 1c8m n ARG 142 Ca 0.03 -0.70 -0.10 0.00 -0.77 0.00 0.00 57.85 56.32 1c8m n ARG 142 Cb 0.41 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.31 1c8m n ARG 142 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1c8m s SER 143 N -2.63 -0.07 0.33 0.55 1.04 -1.26 -5.02 113.70 106.65 1c8m s SER 143 Ca 0.16 -0.70 0.04 0.00 0.48 0.00 0.00 55.95 55.93 1c8m s SER 143 Cb 0.18 0.48 0.59 0.00 0.10 0.00 0.00 66.02 67.37 1c8m s SER 143 CO 0.65 -0.93 1.89 -0.09 0.98 0.00 0.00 173.24 175.73 1c8m h ARG 144 N 2.43 0.58 -0.57 4.02 2.43 -1.94 -1.17 114.38 120.17 1c8m h ARG 144 Ca -0.31 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 58.69 1c8m h ARG 144 Cb 1.24 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1c8m h ARG 144 CO 0.45 0.57 0.12 -0.22 -1.51 0.00 0.00 179.97 179.38 1c8m h LYS 145 N 0.57 0.91 -0.58 0.20 3.64 -1.95 -0.40 116.57 118.96 1c8m h LYS 145 Ca 0.13 -0.23 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 1c8m h LYS 145 Cb 0.28 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1c8m h LYS 145 CO 0.00 0.86 -0.00 1.49 -2.27 0.00 0.00 179.45 179.53 1c8m h GLU 146 N 0.82 1.02 -0.30 1.90 4.81 -1.85 -3.22 114.58 117.76 1c8m h GLU 146 Ca 0.18 -0.31 -0.11 0.00 -0.13 0.00 0.00 59.36 58.98 1c8m h GLU 146 Cb 0.37 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1c8m h GLU 146 CO 0.00 1.00 -0.24 0.00 -0.73 0.00 0.00 179.01 179.04 1c8m h ALA 147 N 1.05 0.43 0.00 2.92 0.00 -0.91 -3.16 119.26 119.60 1c8m h ALA 147 Ca 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1c8m h ALA 147 Cb 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1c8m h ALA 147 CO 0.03 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1c8m n MET 148 N -4.29 0.24 0.00 0.00 0.00 -0.19 -1.65 117.12 111.23 1c8m n MET 148 Ca -0.03 0.11 0.14 0.00 0.00 0.00 0.00 57.70 57.91 1c8m n MET 148 Cb 0.44 -1.50 0.54 0.00 0.00 0.00 0.00 33.22 32.70 1c8m n MET 148 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1c8m n LEU 149 N -1.19 0.17 0.00 3.17 4.77 -1.19 -4.83 117.00 117.90 1c8m n LEU 149 Ca 0.07 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1c8m n LEU 149 Cb 0.08 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1c8m n LEU 149 CO 0.08 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1c8m n GLY 150 N 1.46 1.91 3.74 -0.72 0.00 -0.66 -5.05 105.19 105.87 1c8m n GLY 150 Ca 0.08 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 1c8m n GLY 150 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c8m s THR 151 N 2.08 3.87 0.17 2.61 2.01 -0.69 -4.88 115.64 120.80 1c8m s THR 151 Ca 0.00 1.64 -0.21 0.00 0.31 0.00 0.00 61.69 63.43 1c8m s THR 151 Cb 0.00 -4.05 0.05 0.00 0.01 0.00 0.00 72.50 68.52 1c8m s THR 151 CO 0.00 0.29 0.57 -1.38 -0.69 0.00 0.00 174.62 173.42 1c8m s HIS 152 N -0.34 -0.39 -0.05 4.92 -0.00 -1.26 0.13 115.29 118.31 1c8m s HIS 152 Ca 0.49 0.12 0.02 0.00 -0.00 0.00 0.00 55.06 55.69 1c8m s HIS 152 Cb -0.29 0.51 0.01 0.00 -0.00 0.00 0.00 32.58 32.80 1c8m s HIS 152 CO 0.35 -0.88 -0.11 0.08 -0.00 0.00 0.00 174.74 174.18 1c8m s VAL 153 N -3.80 1.00 -0.32 -5.38 1.01 -0.05 -4.98 120.40 107.87 1c8m s VAL 153 Ca 0.04 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 1c8m s VAL 153 Cb -0.01 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 1c8m s VAL 153 CO -0.09 0.31 0.28 -0.69 0.00 0.00 0.00 175.10 174.91 1c8m s VAL 154 N 0.46 5.25 -0.26 2.92 1.01 -1.26 -0.93 120.40 127.59 1c8m s VAL 154 Ca -0.09 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.78 1c8m s VAL 154 Cb -0.13 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1c8m s VAL 154 CO 0.02 0.03 0.20 0.86 0.00 0.00 0.00 175.10 176.21 1c8m s TRP 155 N 1.85 3.27 -0.27 5.22 -0.00 0.65 -4.96 118.94 124.70 1c8m s TRP 155 Ca 0.09 0.20 -0.08 0.00 -0.00 0.00 0.00 56.10 56.31 1c8m s TRP 155 Cb -0.17 -2.36 -0.02 0.00 -0.00 0.00 0.00 33.47 30.92 1c8m s TRP 155 CO 0.11 -0.07 0.10 0.34 -0.00 0.00 0.00 176.95 177.43 1c8m s ASP 156 N 1.44 5.32 0.18 5.86 2.15 -1.26 -1.24 116.67 129.12 1c8m s ASP 156 Ca 0.08 -0.29 -0.30 0.00 0.43 0.00 0.00 52.55 52.47 1c8m s ASP 156 Cb -0.15 -1.96 -0.08 0.00 -0.30 0.00 0.00 42.92 40.43 1c8m s ASP 156 CO 0.08 -0.08 1.22 -0.69 -0.17 0.00 0.00 175.17 175.53 1c8m s VAL 157 N 1.62 3.51 0.00 1.11 1.01 -0.52 -4.96 120.40 122.17 1c8m s VAL 157 Ca 0.06 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.29 1c8m s VAL 157 Cb -0.16 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1c8m s VAL 157 CO 0.05 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1c8m n GLY 158 N 2.27 2.62 0.39 4.51 0.00 -1.26 -4.60 105.19 109.12 1c8m n GLY 158 Ca 0.05 -0.36 0.17 0.00 0.00 0.00 0.00 46.02 45.88 1c8m n GLY 158 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1c8m h LEU 159 N 0.00 0.56 -8.80 0.99 3.38 -1.97 -3.33 115.31 106.15 1c8m h LEU 159 Ca 0.00 0.07 -0.64 0.00 0.09 0.00 0.00 57.88 57.40 1c8m h LEU 159 Cb 0.00 -0.03 -0.14 0.00 0.09 0.00 0.00 40.66 40.57 1c8m h LEU 159 CO 0.00 0.20 0.01 -1.10 0.09 0.00 0.00 178.44 177.64 1c8m s GLN 160 N -5.60 3.70 0.47 1.13 -0.21 -1.26 -4.95 119.66 112.94 1c8m s GLN 160 Ca -0.09 -0.03 0.29 0.00 0.02 0.00 0.00 55.36 55.55 1c8m s GLN 160 Cb 0.24 -3.79 1.03 0.00 1.00 0.00 0.00 33.01 31.50 1c8m s GLN 160 CO 0.79 -0.63 1.85 0.66 -2.12 0.00 0.00 175.29 175.84 1c8m h SER 161 N 8.40 0.00 -3.84 5.90 4.64 -1.92 -3.46 113.55 123.26 1c8m h SER 161 Ca -0.28 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.36 1c8m h SER 161 Cb 1.12 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.01 1c8m h SER 161 CO 0.78 0.00 -0.79 -0.89 -0.87 0.00 0.00 176.83 175.06 1c8m s THR 162 N -3.48 2.94 0.14 2.95 2.01 -1.26 -1.49 115.64 117.45 1c8m s THR 162 Ca 0.04 -1.23 0.05 0.00 0.31 0.00 0.00 61.69 60.86 1c8m s THR 162 Cb 0.08 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 1c8m s THR 162 CO 0.56 0.27 -0.12 0.54 -0.69 0.00 0.00 174.62 175.17 1c8m s VAL 163 N -1.01 1.30 -0.02 3.82 0.11 -0.47 -4.96 120.40 119.18 1c8m s VAL 163 Ca 0.16 -1.92 0.04 0.00 -2.93 0.00 0.00 61.98 57.33 1c8m s VAL 163 Cb -0.11 -1.72 -0.01 0.00 -1.53 0.00 0.00 36.38 33.02 1c8m s VAL 163 CO 0.07 -0.58 -0.13 -0.44 -3.33 0.00 0.00 175.10 170.69 1c8m s SER 164 N -2.86 1.64 -0.13 3.54 0.01 -1.26 -0.95 113.70 113.69 1c8m s SER 164 Ca 0.14 -0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.16 1c8m s SER 164 Cb -0.01 -0.31 -0.00 0.00 0.21 0.00 0.00 66.02 65.90 1c8m s SER 164 CO 0.02 0.14 -0.19 -0.22 0.41 0.00 0.00 173.24 173.40 1c8m s LEU 165 N -0.11 2.32 -0.23 2.44 2.96 0.97 -4.97 118.68 122.06 1c8m s LEU 165 Ca 0.01 -0.50 -0.10 0.00 -0.22 0.00 0.00 54.13 53.33 1c8m s LEU 165 Cb -0.08 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 45.07 1c8m s LEU 165 CO 0.00 0.13 0.14 -0.69 -1.32 0.00 0.00 176.35 174.61 1c8m s VAL 166 N 0.55 5.21 -0.57 1.68 1.01 -1.26 -0.92 120.40 126.09 1c8m s VAL 166 Ca -0.12 0.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.79 1c8m s VAL 166 Cb -0.16 -3.42 0.08 0.00 0.00 0.00 0.00 36.38 32.88 1c8m s VAL 166 CO 0.04 0.37 0.74 -0.69 0.00 0.00 0.00 175.10 175.56 1c8m s VAL 167 N 0.94 4.72 0.69 2.92 1.01 0.31 -4.98 120.40 126.02 1c8m s VAL 167 Ca 0.07 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 1c8m s VAL 167 Cb -0.13 -4.47 0.02 0.00 0.00 0.00 0.00 36.38 31.80 1c8m s VAL 167 CO 0.03 -1.08 1.16 -2.84 0.00 0.00 0.00 175.10 172.37 1c8m s PRO 168 N 3.00 2.52 -0.48 2.72 0.02 -1.26 -1.67 135.00 139.84 1c8m s PRO 168 Ca 0.16 1.57 -0.28 0.00 0.02 0.00 0.00 61.00 62.47 1c8m s PRO 168 Cb -0.20 -1.90 0.01 0.00 0.02 0.00 0.00 34.50 32.43 1c8m s PRO 168 CO 0.10 -1.50 1.39 -0.46 -0.33 0.00 0.00 177.00 176.19 1c8m s TRP 169 N -2.14 2.38 -0.34 6.54 -0.11 -1.26 -4.88 118.94 119.12 1c8m s TRP 169 Ca 0.71 0.59 0.02 0.00 1.22 0.00 0.00 56.10 58.63 1c8m s TRP 169 Cb -0.25 -4.36 0.10 0.00 -1.50 0.00 0.00 33.47 27.47 1c8m s TRP 169 CO 0.42 -1.92 0.10 0.42 -4.62 0.00 0.00 176.95 171.36 1c8m s ILE 170 N 5.65 1.55 0.08 5.86 1.01 -1.26 -5.02 121.20 129.08 1c8m s ILE 170 Ca 0.56 -1.97 -0.05 0.00 0.00 0.00 0.00 60.65 59.19 1c8m s ILE 170 Cb -0.12 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 1c8m s ILE 170 CO 0.29 -0.67 0.11 -0.55 0.00 0.00 0.00 174.94 174.12 1c8m s SER 171 N 1.13 0.26 -0.10 3.58 0.15 -1.26 -4.87 113.70 112.59 1c8m s SER 171 Ca 0.11 -0.83 -0.22 0.00 0.70 0.00 0.00 55.95 55.71 1c8m s SER 171 Cb -0.19 0.30 -0.18 0.00 -1.71 0.00 0.00 66.02 64.23 1c8m s SER 171 CO -0.15 -0.70 0.73 0.00 1.20 0.00 0.00 173.24 174.32 1c8m h ALA 172 N 2.88 -0.06 -2.35 5.45 0.00 -1.97 -3.46 119.26 119.75 1c8m h ALA 172 Ca -0.34 -0.31 -0.50 0.00 0.00 0.00 0.00 54.91 53.76 1c8m h ALA 172 Cb 1.18 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1c8m h ALA 172 CO 0.59 -0.11 0.01 -1.54 0.00 0.00 0.00 179.25 178.20 1c8m s SER 173 N -5.84 6.43 0.51 0.00 1.04 -1.26 -5.00 113.70 109.58 1c8m s SER 173 Ca -0.14 0.90 0.26 0.00 0.48 0.00 0.00 55.95 57.46 1c8m s SER 173 Cb -0.01 -2.23 1.40 0.00 0.10 0.00 0.00 66.02 65.28 1c8m s SER 173 CO 0.51 -0.36 2.06 -0.61 0.98 0.00 0.00 173.24 175.82 1c8m h GLN 174 N 1.17 0.00 -4.93 4.02 5.75 -1.98 -3.44 115.11 115.70 1c8m h GLN 174 Ca -0.47 0.00 -0.38 0.00 -0.15 0.00 0.00 58.65 57.65 1c8m h GLN 174 Cb 1.19 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.60 1c8m h GLN 174 CO 0.64 0.13 -0.60 0.71 -2.65 0.00 0.00 178.83 177.05 1c8m s TYR 175 N -4.20 1.61 0.10 3.99 1.51 -1.26 -4.74 117.35 114.36 1c8m s TYR 175 Ca -0.03 -1.18 0.01 0.00 -1.01 0.00 0.00 57.07 54.86 1c8m s TYR 175 Cb 0.13 -0.95 -0.04 0.00 -0.11 0.00 0.00 41.96 40.99 1c8m s TYR 175 CO 0.59 -0.32 -0.05 1.03 -1.11 0.00 0.00 175.55 175.70 1c8m s ARG 176 N -3.98 0.83 0.28 -0.62 0.52 -0.39 -4.94 118.95 110.66 1c8m s ARG 176 Ca 0.37 -1.34 -0.28 0.00 -0.52 0.00 0.00 55.73 53.95 1c8m s ARG 176 Cb 0.07 -0.14 -0.09 0.00 0.52 0.00 0.00 34.95 35.31 1c8m s ARG 176 CO 0.14 -0.05 0.97 -0.06 0.02 0.00 0.00 175.30 176.33 1c8m s PHE 177 N -3.69 3.78 0.20 -0.53 0.40 -1.26 -0.78 117.98 116.10 1c8m s PHE 177 Ca 0.13 1.82 0.03 0.00 -0.60 0.00 0.00 56.93 58.31 1c8m s PHE 177 Cb 0.06 -3.02 0.11 0.00 0.51 0.00 0.00 43.02 40.68 1c8m s PHE 177 CO -0.04 0.14 1.46 1.79 0.70 0.00 0.00 175.22 179.27 1c8m h THR 178 N 2.90 1.43 -3.99 0.64 1.35 -1.39 -3.45 112.91 110.40 1c8m h THR 178 Ca -0.46 -2.26 -0.47 0.00 -0.55 0.00 0.00 66.41 62.67 1c8m h THR 178 Cb 1.20 2.20 0.01 0.00 -1.73 0.00 0.00 68.15 69.84 1c8m h THR 178 CO 0.66 0.67 0.39 0.28 -0.25 0.00 0.00 175.52 177.27 1c8m s THR 179 N -3.52 3.86 -0.78 6.82 -1.32 -1.26 -3.98 115.64 115.46 1c8m s THR 179 Ca -0.04 1.35 -0.23 0.00 -1.21 0.00 0.00 61.69 61.56 1c8m s THR 179 Cb 0.11 -3.66 -0.17 0.00 -1.51 0.00 0.00 72.50 67.27 1c8m s THR 179 CO 0.82 -0.06 2.40 -2.65 -2.21 0.00 0.00 174.62 172.91 1c8m n PRO 180 N -0.24 0.50 -3.65 7.08 -0.02 -1.26 -4.88 135.00 132.54 1c8m n PRO 180 Ca 0.06 -0.37 -0.29 0.00 -2.02 0.00 0.00 63.50 60.87 1c8m n PRO 180 Cb 0.51 -2.84 -0.15 0.00 -0.02 0.00 0.00 33.50 31.00 1c8m n PRO 180 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1c8m s ASP 181 N 8.84 3.77 0.00 2.55 -1.08 -1.26 -5.10 116.67 124.39 1c8m s ASP 181 Ca 1.07 -1.61 0.00 0.00 -0.52 0.00 0.00 52.55 51.50 1c8m s ASP 181 Cb -0.42 -0.66 0.00 0.00 -1.46 0.00 0.00 42.92 40.38 1c8m s ASP 181 CO 0.27 -0.41 0.22 0.35 0.52 0.00 0.00 175.17 176.12 1c8m n THR 182 N 4.87 0.00 -0.17 1.71 -2.24 -1.26 -1.60 114.28 115.59 1c8m n THR 182 Ca -0.02 0.35 0.05 0.00 -2.27 0.00 0.00 64.05 62.16 1c8m n THR 182 Cb 0.41 -0.49 0.10 0.00 -2.10 0.00 0.00 70.33 68.26 1c8m n THR 182 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c8m n TYR 183 N -1.74 0.23 -2.42 4.78 -0.00 -1.26 0.96 117.16 117.70 1c8m n TYR 183 Ca 0.00 0.57 -0.35 0.00 -0.00 0.00 0.00 57.90 58.12 1c8m n TYR 183 Cb 0.00 -0.81 0.01 0.00 -0.00 0.00 0.00 39.34 38.54 1c8m n TYR 183 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1c8m n SER 184 N -4.66 6.39 -4.50 2.98 3.41 -0.63 -4.95 113.62 111.66 1c8m n SER 184 Ca 0.09 -3.75 -0.38 0.00 -0.26 0.00 0.00 58.87 54.58 1c8m n SER 184 Cb 0.29 -0.89 -0.12 0.00 -0.26 0.00 0.00 64.21 63.24 1c8m n SER 184 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1c8m s SER 185 N -2.07 5.58 0.00 4.04 0.15 0.27 -4.52 113.70 117.15 1c8m s SER 185 Ca 0.47 -0.18 0.29 0.00 0.70 0.00 0.00 55.95 57.23 1c8m s SER 185 Cb 0.33 -2.02 1.65 0.00 -1.71 0.00 0.00 66.02 64.27 1c8m s SER 185 CO -0.24 -0.07 2.08 0.00 1.20 0.00 0.00 173.24 176.20 1c8m n ALA 186 N 4.99 2.66 0.00 5.45 0.00 -1.26 -4.68 120.51 127.67 1c8m n ALA 186 Ca -0.15 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1c8m n ALA 186 Cb 0.51 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1c8m n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c8m n GLY 187 N 1.00 -0.57 3.20 0.00 0.00 -1.26 -4.18 105.19 103.39 1c8m n GLY 187 Ca 0.22 -2.19 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 1c8m n GLY 187 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1c8m s TYR 188 N 0.00 1.07 -0.15 1.61 2.02 -0.97 -1.35 117.35 119.58 1c8m s TYR 188 Ca 0.00 -0.80 0.02 0.00 -0.37 0.00 0.00 57.07 55.92 1c8m s TYR 188 Cb 0.00 -0.58 0.01 0.00 -0.40 0.00 0.00 41.96 40.99 1c8m s TYR 188 CO 0.00 -0.03 -0.21 0.42 -1.57 0.00 0.00 175.55 174.16 1c8m s ILE 189 N -3.25 2.11 0.18 2.71 1.01 -0.24 -1.31 121.20 122.41 1c8m s ILE 189 Ca 0.12 -0.96 0.08 0.00 0.00 0.00 0.00 60.65 59.89 1c8m s ILE 189 Cb 0.02 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1c8m s ILE 189 CO -0.02 0.55 -0.16 0.42 0.00 0.00 0.00 174.94 175.73 1c8m s THR 190 N 0.89 1.71 -0.03 2.92 -4.23 -0.41 -1.12 115.64 115.38 1c8m s THR 190 Ca -0.05 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 58.47 1c8m s THR 190 Cb -0.15 -1.88 0.01 0.00 1.34 0.00 0.00 72.50 71.81 1c8m s THR 190 CO -0.04 -0.46 -0.08 0.00 -0.54 0.00 0.00 174.62 173.51 1c8m s TRP 192 N 0.28 1.11 -0.12 0.00 0.52 -0.33 0.38 118.94 120.78 1c8m s TRP 192 Ca -0.04 -1.07 -0.27 0.00 0.02 0.00 0.00 56.10 54.74 1c8m s TRP 192 Cb -0.09 -0.63 -0.02 0.00 -1.15 0.00 0.00 33.47 31.58 1c8m s TRP 192 CO 0.00 -0.29 0.89 0.71 0.02 0.00 0.00 176.95 178.28 1c8m s TYR 193 N -3.75 3.50 -0.11 -1.98 1.51 -0.53 -0.63 117.35 115.35 1c8m s TYR 193 Ca 0.23 1.41 -0.22 0.00 -1.01 0.00 0.00 57.07 57.48 1c8m s TYR 193 Cb 0.06 -3.05 -0.27 0.00 -0.11 0.00 0.00 41.96 38.59 1c8m s TYR 193 CO 0.03 -0.17 0.68 0.37 -1.11 0.00 0.00 175.55 175.35 1c8m h GLN 194 N 7.12 0.16 0.00 -0.62 5.75 -1.43 -3.37 115.11 122.72 1c8m h GLN 194 Ca -0.33 -0.28 0.00 0.00 -0.15 0.00 0.00 58.65 57.90 1c8m h GLN 194 Cb 1.15 0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.81 1c8m h GLN 194 CO 0.82 1.13 0.00 0.25 -2.65 0.00 0.00 178.83 178.39 1c8m n THR 195 N -4.25 0.00 -3.50 2.39 -2.24 -1.14 -4.88 114.28 100.67 1c8m n THR 195 Ca -0.18 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.55 1c8m n THR 195 Cb 0.73 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1c8m n THR 195 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1c8m n ASN 196 N 0.00 -0.93 -4.22 3.42 5.15 -1.26 -4.71 115.26 112.71 1c8m n ASN 196 Ca 0.00 -1.78 -0.37 0.00 -0.60 0.00 0.00 54.58 51.82 1c8m n ASN 196 Cb 0.00 1.58 -0.12 0.00 -0.53 0.00 0.00 39.78 40.71 1c8m n ASN 196 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1c8m s PHE 197 N -5.29 3.35 -0.04 1.20 2.19 -1.26 -3.72 117.98 114.41 1c8m s PHE 197 Ca 0.09 -1.75 0.00 0.00 0.33 0.00 0.00 56.93 55.60 1c8m s PHE 197 Cb -0.02 -2.61 -0.03 0.00 -1.31 0.00 0.00 43.02 39.05 1c8m s PHE 197 CO 0.07 -0.83 -0.02 0.08 1.83 0.00 0.00 175.22 176.35 1c8m s VAL 198 N 1.32 4.05 0.03 3.12 1.01 -0.77 -4.16 120.40 125.01 1c8m s VAL 198 Ca 0.01 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1c8m s VAL 198 Cb -0.21 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1c8m s VAL 198 CO 0.00 0.51 0.01 0.68 0.00 0.00 0.00 175.10 176.30 1c8m s VAL 199 N -0.94 0.15 0.88 2.92 -7.23 -1.26 -1.28 120.40 113.63 1c8m s VAL 199 Ca 0.15 -1.24 -0.11 0.00 -1.81 0.00 0.00 61.98 58.97 1c8m s VAL 199 Cb -0.11 -0.85 0.17 0.00 0.56 0.00 0.00 36.38 36.15 1c8m s VAL 199 CO 0.05 -0.69 1.22 -2.16 -0.31 0.00 0.00 175.10 173.21 1c8m s PRO 200 N -2.57 1.04 0.84 4.82 0.04 -1.26 -5.03 135.00 132.88 1c8m s PRO 200 Ca -0.05 -0.57 -0.10 0.00 0.04 0.00 0.00 61.00 60.31 1c8m s PRO 200 Cb -0.02 -2.00 0.10 0.00 0.04 0.00 0.00 34.50 32.63 1c8m s PRO 200 CO -0.05 -2.07 1.11 -1.25 0.04 0.00 0.00 177.00 174.78 1c8m s PRO 201 N -5.65 1.66 -1.56 0.56 0.04 -1.26 -3.64 135.00 125.15 1c8m s PRO 201 Ca 0.71 1.28 -0.03 0.00 0.04 0.00 0.00 61.00 62.99 1c8m s PRO 201 Cb -0.05 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1c8m s PRO 201 CO 0.50 -2.10 0.42 0.09 0.04 0.00 0.00 177.00 175.95 1c8m n ASN 202 N -3.84 -5.90 -4.15 6.66 3.02 -1.26 -5.01 115.26 104.78 1c8m n ASN 202 Ca 0.10 -0.20 -0.22 0.00 -0.03 0.00 0.00 54.58 54.22 1c8m n ASN 202 Cb 0.53 -4.78 -0.14 0.00 -0.61 0.00 0.00 39.78 34.78 1c8m n ASN 202 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1c8m s THR 203 N -3.11 1.21 0.14 3.41 2.01 -1.24 -5.10 115.64 112.96 1c8m s THR 203 Ca 0.21 -0.85 -0.34 0.00 0.31 0.00 0.00 61.69 61.02 1c8m s THR 203 Cb -0.09 -1.05 -0.16 0.00 0.01 0.00 0.00 72.50 71.21 1c8m s THR 203 CO 0.26 0.19 1.33 -2.65 -0.69 0.00 0.00 174.62 173.06 1c8m n PRO 204 N 2.28 1.40 -0.18 4.92 -0.02 -1.26 -4.86 135.00 137.29 1c8m n PRO 204 Ca -0.16 0.50 0.03 0.00 -2.02 0.00 0.00 63.50 61.85 1c8m n PRO 204 Cb 0.55 -2.12 0.10 0.00 -0.02 0.00 0.00 33.50 32.00 1c8m n PRO 204 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1c8m n ASN 205 N 2.47 1.70 -3.78 2.55 3.02 -1.26 -4.84 115.26 115.13 1c8m n ASN 205 Ca 0.16 -2.13 -0.11 0.00 -0.03 0.00 0.00 54.58 52.48 1c8m n ASN 205 Cb 0.24 -0.35 -0.07 0.00 -0.61 0.00 0.00 39.78 38.99 1c8m n ASN 205 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1c8m s THR 206 N -1.60 0.09 0.08 3.41 -4.23 -1.26 -4.17 115.64 107.96 1c8m s THR 206 Ca 0.14 -0.77 -0.20 0.00 -1.18 0.00 0.00 61.69 59.68 1c8m s THR 206 Cb 0.09 -0.99 0.05 0.00 1.34 0.00 0.00 72.50 72.99 1c8m s THR 206 CO 0.07 -0.43 0.48 0.00 -0.54 0.00 0.00 174.62 174.20 1c8m s ALA 207 N -2.78 -1.20 0.36 3.99 0.00 -0.79 -4.96 121.76 116.37 1c8m s ALA 207 Ca -0.03 0.37 0.07 0.00 0.00 0.00 0.00 51.96 52.36 1c8m s ALA 207 Cb -0.00 0.51 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 1c8m s ALA 207 CO -0.05 -0.56 0.46 -1.21 0.00 0.00 0.00 175.76 174.40 1c8m s GLU 208 N -2.95 2.97 -0.01 0.00 0.41 -1.26 -0.41 118.70 117.45 1c8m s GLU 208 Ca -0.02 -1.13 0.00 0.00 -0.41 0.00 0.00 54.97 53.41 1c8m s GLU 208 Cb -0.00 -2.73 0.01 0.00 -1.78 0.00 0.00 34.13 29.63 1c8m s GLU 208 CO -0.06 -0.02 0.01 1.41 -0.49 0.00 0.00 175.26 176.11 1c8m s MET 209 N -4.18 0.03 0.01 1.61 -2.45 -0.45 -0.98 119.30 112.88 1c8m s MET 209 Ca 0.47 0.06 0.00 0.00 -1.25 0.00 0.00 55.69 54.97 1c8m s MET 209 Cb -0.09 -0.15 -0.04 0.00 1.25 0.00 0.00 34.83 35.81 1c8m s MET 209 CO 0.31 -0.06 0.06 -0.51 1.05 0.00 0.00 175.02 175.86 1c8m s LEU 210 N 0.45 3.78 -0.08 4.11 1.43 -0.51 -1.75 118.68 126.12 1c8m s LEU 210 Ca -0.04 0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.20 1c8m s LEU 210 Cb -0.06 -2.22 -0.00 0.00 0.03 0.00 0.00 46.19 43.94 1c8m s LEU 210 CO -0.01 0.26 -0.23 0.00 0.23 0.00 0.00 176.35 176.60 1c8m s PHE 212 N 0.16 2.29 -0.10 0.00 0.08 0.86 -0.65 117.98 120.62 1c8m s PHE 212 Ca -0.13 -0.45 -0.12 0.00 0.12 0.00 0.00 56.93 56.35 1c8m s PHE 212 Cb -0.16 -1.17 0.03 0.00 -0.57 0.00 0.00 43.02 41.15 1c8m s PHE 212 CO 0.06 0.61 0.33 0.54 -0.10 0.00 0.00 175.22 176.66 1c8m s VAL 213 N -2.62 0.01 0.35 -0.44 0.11 -0.83 -1.36 120.40 115.62 1c8m s VAL 213 Ca 0.31 -0.10 -0.15 0.00 -2.93 0.00 0.00 61.98 59.11 1c8m s VAL 213 Cb -0.01 -0.50 0.04 0.00 -1.53 0.00 0.00 36.38 34.38 1c8m s VAL 213 CO 0.15 -0.06 0.71 -0.94 -3.33 0.00 0.00 175.10 171.63 1c8m s SER 214 N -0.14 0.08 0.04 3.54 1.04 -0.73 -2.83 113.70 114.70 1c8m s SER 214 Ca -0.03 -1.07 0.02 0.00 0.48 0.00 0.00 55.95 55.35 1c8m s SER 214 Cb -0.03 0.78 -0.04 0.00 0.10 0.00 0.00 66.02 66.83 1c8m s SER 214 CO 0.01 -1.53 0.03 -0.83 0.98 0.00 0.00 173.24 171.91 1c8m s GLY 215 N -3.06 1.94 0.89 7.32 0.00 -0.04 -0.69 107.32 113.69 1c8m s GLY 215 Ca 0.17 -0.98 -0.15 0.00 0.00 0.00 0.00 44.72 43.76 1c8m s GLY 215 CO 0.12 -0.90 1.15 0.00 0.00 0.00 0.00 173.10 173.47 1c8m h LYS 217 N 0.00 0.00 -0.28 0.00 2.10 -2.00 -0.90 116.57 115.49 1c8m h LYS 217 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1c8m h LYS 217 Cb 1.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 1c8m h LYS 217 CO 0.27 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.32 1c8m n ASP 218 N -4.02 2.28 -4.77 7.07 5.75 -1.26 -4.95 116.55 116.66 1c8m n ASP 218 Ca 0.03 -1.85 -0.40 0.00 -0.01 0.00 0.00 54.79 52.55 1c8m n ASP 218 Cb 0.35 -0.18 -0.03 0.00 -1.03 0.00 0.00 41.12 40.22 1c8m n ASP 218 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1c8m s PHE 219 N -1.63 3.25 -0.17 2.11 5.36 -0.34 -3.80 117.98 122.76 1c8m s PHE 219 Ca 0.33 1.53 -0.25 0.00 -0.96 0.00 0.00 56.93 57.58 1c8m s PHE 219 Cb 0.18 -3.53 0.06 0.00 -0.34 0.00 0.00 43.02 39.40 1c8m s PHE 219 CO 0.26 -1.35 0.65 0.00 -1.46 0.00 0.00 175.22 173.33 1c8m s LEU 221 N -0.26 2.43 0.06 0.00 1.43 -1.26 -1.30 118.68 119.77 1c8m s LEU 221 Ca -0.04 -0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 52.07 1c8m s LEU 221 Cb -0.03 -1.12 0.01 0.00 0.03 0.00 0.00 46.19 45.08 1c8m s LEU 221 CO 0.04 0.10 0.26 -0.60 0.23 0.00 0.00 176.35 176.38 1c8m s ARG 222 N -2.68 0.81 -0.35 1.70 3.52 -0.33 -4.98 118.95 116.64 1c8m s ARG 222 Ca 0.20 -0.66 -0.08 0.00 -0.13 0.00 0.00 55.73 55.06 1c8m s ARG 222 Cb -0.08 0.34 0.01 0.00 -1.56 0.00 0.00 34.95 33.67 1c8m s ARG 222 CO 0.09 -0.26 0.29 -0.12 -0.81 0.00 0.00 175.30 174.49 1c8m n MET 223 N 0.38 -2.76 -1.73 5.12 1.56 -1.26 -1.39 117.12 117.04 1c8m n MET 223 Ca -0.18 2.34 -0.41 0.00 -0.27 0.00 0.00 57.70 59.18 1c8m n MET 223 Cb 0.60 -5.29 0.01 0.00 2.15 0.00 0.00 33.22 30.70 1c8m n MET 223 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1c8m n ALA 224 N 0.16 1.66 -3.30 -5.12 0.00 -1.26 -0.67 120.51 111.97 1c8m n ALA 224 Ca 0.06 0.27 -0.09 0.00 0.00 0.00 0.00 53.44 53.68 1c8m n ALA 224 Cb 0.22 -2.32 -0.04 0.00 0.00 0.00 0.00 19.45 17.30 1c8m n ALA 224 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1c8m s ARG 225 N -2.26 1.51 0.44 0.00 1.70 0.79 -4.82 118.95 116.31 1c8m s ARG 225 Ca 0.60 -1.09 -0.20 0.00 -0.47 0.00 0.00 55.73 54.58 1c8m s ARG 225 Cb -0.49 0.50 -0.10 0.00 -0.57 0.00 0.00 34.95 34.29 1c8m s ARG 225 CO 0.59 -0.64 0.94 -0.51 -1.08 0.00 0.00 175.30 174.60 1c8m s ASP 226 N -2.95 6.86 0.39 -2.89 -0.00 -1.26 -4.38 116.67 112.42 1c8m s ASP 226 Ca 0.16 1.63 -0.12 0.00 -0.00 0.00 0.00 52.55 54.23 1c8m s ASP 226 Cb -0.01 -2.52 -0.07 0.00 -0.00 0.00 0.00 42.92 40.31 1c8m s ASP 226 CO 0.05 -0.40 0.77 0.28 -0.00 0.00 0.00 175.17 175.86 1c8m s THR 227 N -2.27 4.74 -0.40 -1.27 -1.32 -1.25 -4.83 115.64 109.04 1c8m s THR 227 Ca 0.61 0.74 0.13 0.00 -1.21 0.00 0.00 61.69 61.96 1c8m s THR 227 Cb -0.09 -3.70 0.37 0.00 -1.51 0.00 0.00 72.50 67.57 1c8m s THR 227 CO 0.17 -0.44 1.29 -0.90 -2.21 0.00 0.00 174.62 172.54 1c8m n ASP 228 N -1.06 3.19 -1.24 8.08 3.85 -1.26 -4.46 116.55 123.63 1c8m n ASP 228 Ca 0.03 -2.58 0.11 0.00 -0.71 0.00 0.00 54.79 51.64 1c8m n ASP 228 Cb 0.54 -0.37 0.29 0.00 -1.35 0.00 0.00 41.12 40.23 1c8m n ASP 228 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1c8m n LEU 229 N -0.28 3.63 -3.62 -2.12 4.77 -1.26 -4.90 117.00 113.22 1c8m n LEU 229 Ca 0.15 -1.76 -0.15 0.00 -0.03 0.00 0.00 56.01 54.22 1c8m n LEU 229 Cb 0.64 -0.41 -0.07 0.00 -2.33 0.00 0.00 43.42 41.25 1c8m n LEU 229 CO 0.10 0.88 0.36 -2.28 -1.33 0.00 0.00 177.39 175.11 1c8m s HIS 230 N -1.18 -0.67 0.29 -1.77 2.46 -1.26 -5.15 115.29 108.02 1c8m s HIS 230 Ca 0.45 1.47 -0.00 0.00 0.47 0.00 0.00 55.06 57.45 1c8m s HIS 230 Cb 0.24 0.29 -0.02 0.00 -0.13 0.00 0.00 32.58 32.96 1c8m s HIS 230 CO 0.32 -0.43 0.33 -1.59 -2.47 0.00 0.00 174.74 170.90 1c8m s LYS 231 N -0.23 1.65 -0.10 2.88 -2.85 -1.26 -4.93 119.74 114.90 1c8m s LYS 231 Ca -0.04 -1.76 -0.02 0.00 -1.00 0.00 0.00 55.97 53.14 1c8m s LYS 231 Cb -0.03 0.37 0.04 0.00 -2.06 0.00 0.00 37.83 36.14 1c8m s LYS 231 CO 0.04 -0.64 0.04 -1.14 0.10 0.00 0.00 175.35 173.75 1c8m s GLN 232 N -3.54 0.37 -0.01 1.78 0.74 -1.26 -5.03 119.66 112.70 1c8m s GLN 232 Ca 0.35 0.04 0.13 0.00 0.05 0.00 0.00 55.36 55.93 1c8m s GLN 232 Cb 0.02 -1.23 0.38 0.00 1.10 0.00 0.00 33.01 33.28 1c8m s GLN 232 CO 0.20 -0.44 1.32 0.25 -0.55 0.00 0.00 175.29 176.07 1c8m n THR 233 N 5.19 1.11 -3.76 -0.34 -2.24 -1.26 -5.02 114.28 107.95 1c8m n THR 233 Ca -0.06 -1.06 -0.02 0.00 -2.27 0.00 0.00 64.05 60.64 1c8m n THR 233 Cb 0.49 0.44 -0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1c8m n THR 233 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1c8m s GLY 234 N -1.06 -0.19 0.41 3.38 0.00 -1.26 -5.15 107.32 103.45 1c8m s GLY 234 Ca 0.29 0.15 -0.25 0.00 0.00 0.00 0.00 44.72 44.90 1c8m s GLY 234 CO 0.18 0.85 1.22 2.56 0.00 0.00 0.00 173.10 177.91 1c8m s PRO 235 N -2.76 4.00 -0.37 2.90 0.04 -1.26 -4.98 135.00 132.57 1c8m s PRO 235 Ca 0.16 1.97 -0.15 0.00 0.04 0.00 0.00 61.00 63.01 1c8m s PRO 235 Cb -0.00 -2.70 -0.00 0.00 0.04 0.00 0.00 34.50 31.84 1c8m s PRO 235 CO 0.01 -0.41 0.36 0.42 0.04 0.00 0.00 177.00 177.43 1c8m s ILE 236 N -1.35 5.17 0.42 0.56 1.01 -1.26 -5.06 121.20 120.70 1c8m s ILE 236 Ca 0.57 -0.15 0.08 0.00 0.00 0.00 0.00 60.65 61.15 1c8m s ILE 236 Cb -0.34 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 1c8m s ILE 236 CO 0.43 -0.18 0.39 0.42 0.00 0.00 0.00 174.94 176.00 1c8m s THR 237 N 1.98 2.65 -2.00 2.92 -4.23 -1.26 -5.28 115.64 110.41 1c8m s THR 237 Ca 0.10 -1.33 0.20 0.00 -1.18 0.00 0.00 61.69 59.49 1c8m s THR 237 Cb -0.17 -2.97 0.57 0.00 1.34 0.00 0.00 72.50 71.27 1c8m s THR 237 CO 0.12 0.00 1.59 1.67 -0.54 0.00 0.00 174.62 177.46