#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2or9 s VAL 2 N 0.00 3.11 -0.06 6.31 1.01 -1.26 -4.36 120.40 125.16 2or9 s VAL 2 Ca 0.00 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.50 2or9 s VAL 2 Cb 0.00 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 33.07 2or9 s VAL 2 CO 0.00 -0.01 -0.05 -1.00 0.00 0.00 0.00 175.10 174.05 2or9 s HIS 3 N 2.84 0.86 -0.12 5.22 3.76 0.34 -5.00 115.29 123.19 2or9 s HIS 3 Ca 0.74 -0.27 0.02 0.00 -0.15 0.00 0.00 55.06 55.40 2or9 s HIS 3 Cb -0.39 -0.77 0.01 0.00 1.11 0.00 0.00 32.58 32.54 2or9 s HIS 3 CO 0.32 -0.25 -0.19 -0.51 -0.85 0.00 0.00 174.74 173.27 2or9 s LEU 4 N 1.13 1.90 -0.10 0.89 1.43 -1.26 -0.15 118.68 122.52 2or9 s LEU 4 Ca -0.08 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.54 2or9 s LEU 4 Cb -0.14 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.85 2or9 s LEU 4 CO -0.01 0.06 -0.16 -0.69 0.23 0.00 0.00 176.35 175.77 2or9 s VAL 5 N 0.83 1.55 0.42 -1.59 1.01 0.18 -4.24 120.40 118.56 2or9 s VAL 5 Ca -0.09 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.24 2or9 s VAL 5 Cb -0.16 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.82 2or9 s VAL 5 CO -0.00 0.45 0.61 -1.61 0.00 0.00 0.00 175.10 174.54 2or9 s GLU 6 N 0.85 2.99 -0.09 2.72 2.02 -1.26 0.17 118.70 126.09 2or9 s GLU 6 Ca -0.09 -0.78 -0.32 0.00 0.02 0.00 0.00 54.97 53.79 2or9 s GLU 6 Cb -0.15 -2.66 0.12 0.00 0.10 0.00 0.00 34.13 31.54 2or9 s GLU 6 CO 0.00 -0.22 1.09 -1.54 0.02 0.00 0.00 175.26 174.62 2or9 s SER 7 N -4.24 -0.21 0.00 -0.19 1.04 -0.76 -4.92 113.70 104.42 2or9 s SER 7 Ca 0.49 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.89 2or9 s SER 7 Cb -0.10 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2or9 s SER 7 CO 0.35 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.77 2or9 n GLY 8 N -0.20 0.61 3.75 7.32 0.00 -1.26 -1.59 105.19 113.83 2or9 n GLY 8 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 2or9 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2or9 s GLY 9 N -0.78 2.80 0.00 -0.02 0.00 -1.26 -4.75 107.32 103.31 2or9 s GLY 9 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 44.72 45.83 2or9 s GLY 9 CO 0.00 1.55 0.00 1.34 0.00 0.00 0.00 173.10 175.99 2or9 n ASP 10 N -1.22 0.00 -4.82 1.64 -0.08 -1.07 -4.97 116.55 106.03 2or9 n ASP 10 Ca 0.12 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 53.03 2or9 n ASP 10 Cb 0.48 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.88 2or9 n ASP 10 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2or9 s LEU 11 N 0.00 4.37 -0.11 -2.67 0.20 -1.26 -2.65 118.68 116.56 2or9 s LEU 11 Ca 0.00 1.31 -0.08 0.00 0.69 0.00 0.00 54.13 56.05 2or9 s LEU 11 Cb 0.00 -3.42 0.04 0.00 -0.43 0.00 0.00 46.19 42.37 2or9 s LEU 11 CO 0.00 0.08 0.29 -0.69 -0.29 0.00 0.00 176.35 175.74 2or9 s VAL 12 N -1.46 -0.02 0.45 1.68 1.01 0.11 -4.96 120.40 117.22 2or9 s VAL 12 Ca 0.40 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 62.23 2or9 s VAL 12 Cb -0.17 -0.42 -0.10 0.00 0.00 0.00 0.00 36.38 35.70 2or9 s VAL 12 CO 0.20 0.02 1.00 -0.54 0.00 0.00 0.00 175.10 175.79 2or9 s LYS 13 N 0.66 4.04 0.58 2.72 1.02 -1.26 -1.22 119.74 126.29 2or9 s LYS 13 Ca -0.04 1.29 -0.18 0.00 0.02 0.00 0.00 55.97 57.06 2or9 s LYS 13 Cb -0.05 -2.21 -0.11 0.00 -0.52 0.00 0.00 37.83 34.94 2or9 s LYS 13 CO -0.04 -0.22 0.19 -2.30 -0.92 0.00 0.00 175.35 172.06 2or9 n PRO 14 N -0.68 0.24 -0.90 -1.68 -0.02 -1.26 -1.64 135.00 129.06 2or9 n PRO 14 Ca 0.08 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2or9 n PRO 14 Cb 0.53 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 2or9 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2or9 n GLY 15 N 2.16 0.38 0.00 -1.23 0.00 -0.35 -4.89 105.19 101.25 2or9 n GLY 15 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2or9 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2or9 n GLY 16 N -1.50 0.30 3.22 -0.02 0.00 -0.65 -4.19 105.19 102.35 2or9 n GLY 16 Ca 0.00 -1.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 2or9 n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2or9 s SER 17 N -1.00 -0.07 0.01 1.61 1.04 -1.26 -0.87 113.70 113.16 2or9 s SER 17 Ca 0.00 -0.21 -0.11 0.00 0.48 0.00 0.00 55.95 56.11 2or9 s SER 17 Cb 0.00 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.45 2or9 s SER 17 CO 0.00 -0.56 0.23 -0.22 0.98 0.00 0.00 173.24 173.68 2or9 s LEU 18 N -1.92 1.17 -0.27 2.42 0.20 0.80 -4.98 118.68 116.10 2or9 s LEU 18 Ca -0.07 -0.13 0.01 0.00 0.69 0.00 0.00 54.13 54.63 2or9 s LEU 18 Cb -0.02 1.04 0.08 0.00 -0.43 0.00 0.00 46.19 46.86 2or9 s LEU 18 CO -0.02 -0.47 0.00 -0.75 -0.29 0.00 0.00 176.35 174.82 2or9 s LYS 19 N -1.75 1.39 0.21 1.98 2.20 -1.26 0.97 119.74 123.48 2or9 s LYS 19 Ca -0.11 -1.19 -0.24 0.00 -0.36 0.00 0.00 55.97 54.06 2or9 s LYS 19 Cb -0.05 -2.59 -0.08 0.00 -1.51 0.00 0.00 37.83 33.60 2or9 s LYS 19 CO 0.01 -0.75 0.80 -0.51 -0.36 0.00 0.00 175.35 174.54 2or9 s LEU 20 N 1.34 4.49 0.21 5.43 1.43 0.67 -4.73 118.68 127.52 2or9 s LEU 20 Ca 0.01 1.63 0.11 0.00 -1.03 0.00 0.00 54.13 54.85 2or9 s LEU 20 Cb -0.19 -3.51 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 2or9 s LEU 20 CO -0.11 0.12 -0.21 -0.94 0.23 0.00 0.00 176.35 175.44 2or9 s SER 21 N -1.36 3.25 -0.18 2.29 1.04 -0.62 0.16 113.70 118.28 2or9 s SER 21 Ca 0.40 -0.92 -0.05 0.00 0.48 0.00 0.00 55.95 55.87 2or9 s SER 21 Cb -0.21 -0.24 0.07 0.00 0.10 0.00 0.00 66.02 65.74 2or9 s SER 21 CO 0.25 0.05 0.10 0.00 0.98 0.00 0.00 173.24 174.61 2or9 s ALA 23 N 2.14 3.65 -0.01 0.00 0.00 0.44 -1.48 121.76 126.50 2or9 s ALA 23 Ca 0.03 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.13 2or9 s ALA 23 Cb -0.16 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 2or9 s ALA 23 CO -0.12 -0.97 0.03 0.00 0.00 0.00 0.00 175.76 174.70 2or9 s ALA 24 N 2.99 3.38 0.11 0.00 0.00 -0.53 0.48 121.76 128.19 2or9 s ALA 24 Ca 0.43 -0.91 -0.25 0.00 0.00 0.00 0.00 51.96 51.23 2or9 s ALA 24 Cb -0.15 -1.44 0.08 0.00 0.00 0.00 0.00 23.12 21.61 2or9 s ALA 24 CO 0.08 0.65 0.71 -1.54 0.00 0.00 0.00 175.76 175.66 2or9 s SER 25 N -1.54 -0.49 0.00 0.00 1.04 0.78 -4.81 113.70 108.69 2or9 s SER 25 Ca 0.20 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.60 2or9 s SER 25 Cb -0.12 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2or9 s SER 25 CO 0.10 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.07 2or9 n GLY 26 N -0.34 0.58 3.64 7.32 0.00 -1.26 -0.50 105.19 114.62 2or9 n GLY 26 Ca -0.14 -0.77 -0.02 0.00 0.00 0.00 0.00 46.02 45.09 2or9 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2or9 s PHE 27 N -2.00 -0.03 -1.14 1.61 -0.12 -1.26 -4.23 117.98 110.81 2or9 s PHE 27 Ca 0.00 0.04 -0.23 0.00 -0.05 0.00 0.00 56.93 56.69 2or9 s PHE 27 Cb 0.00 0.50 -0.08 0.00 -0.63 0.00 0.00 43.02 42.81 2or9 s PHE 27 CO 0.00 -0.04 1.93 0.95 -0.05 0.00 0.00 175.22 178.01 2or9 s THR 28 N -1.59 3.54 0.22 -4.49 -4.23 -1.26 -4.82 115.64 103.02 2or9 s THR 28 Ca 0.10 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.78 2or9 s THR 28 Cb -0.01 -4.48 0.30 0.00 1.34 0.00 0.00 72.50 69.64 2or9 s THR 28 CO -0.05 -1.00 1.10 0.33 -0.54 0.00 0.00 174.62 174.46 2or9 n PHE 29 N 14.21 0.45 0.35 3.99 7.35 -1.26 -0.26 117.46 142.29 2or9 n PHE 29 Ca 0.44 0.85 0.04 0.00 -0.76 0.00 0.00 57.45 58.02 2or9 n PHE 29 Cb 0.47 -1.03 0.20 0.00 0.35 0.00 0.00 39.48 39.46 2or9 n PHE 29 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2or9 n SER 30 N -4.96 0.00 0.00 -2.13 3.41 -1.26 -2.40 113.62 106.28 2or9 n SER 30 Ca 0.17 0.28 0.11 0.00 -0.26 0.00 0.00 58.87 59.17 2or9 n SER 30 Cb 0.54 -0.36 0.01 0.00 -0.26 0.00 0.00 64.21 64.15 2or9 n SER 30 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2or9 n HIS 31 N -1.36 0.04 -4.41 7.33 8.25 0.64 -4.49 115.22 121.21 2or9 n HIS 31 Ca 0.03 0.01 -0.26 0.00 -0.26 0.00 0.00 57.72 57.24 2or9 n HIS 31 Cb 0.08 -0.15 -0.11 0.00 1.12 0.00 0.00 29.99 30.92 2or9 n HIS 31 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2or9 s TYR 32 N -3.04 2.36 -0.15 4.41 1.51 -1.01 -4.88 117.35 116.54 2or9 s TYR 32 Ca 0.08 -0.33 -0.13 0.00 -1.01 0.00 0.00 57.07 55.68 2or9 s TYR 32 Cb 0.16 -1.13 -0.05 0.00 -0.11 0.00 0.00 41.96 40.83 2or9 s TYR 32 CO 0.81 0.55 0.27 0.20 -1.11 0.00 0.00 175.55 176.26 2or9 s GLY 33 N -2.88 2.20 0.53 0.71 0.00 -1.26 -4.01 107.32 102.61 2or9 s GLY 33 Ca 0.23 -0.48 0.03 0.00 0.00 0.00 0.00 44.72 44.50 2or9 s GLY 33 CO 0.12 0.31 0.74 1.06 0.00 0.00 0.00 173.10 175.34 2or9 s MET 34 N 0.24 2.54 0.27 2.90 1.00 -1.19 -0.85 119.30 124.21 2or9 s MET 34 Ca 0.16 -0.95 -0.06 0.00 0.00 0.00 0.00 55.69 54.83 2or9 s MET 34 Cb -0.13 -2.55 -0.01 0.00 0.00 0.00 0.00 34.83 32.14 2or9 s MET 34 CO 0.04 -0.67 0.40 -1.12 0.00 0.00 0.00 175.02 173.66 2or9 s SER 35 N -4.44 0.36 -0.04 3.03 0.01 0.91 -1.93 113.70 111.60 2or9 s SER 35 Ca 0.58 -1.25 0.01 0.00 1.31 0.00 0.00 55.95 56.60 2or9 s SER 35 Cb -0.10 0.57 0.02 0.00 0.21 0.00 0.00 66.02 66.72 2or9 s SER 35 CO 0.38 -1.13 -0.03 0.26 0.41 0.00 0.00 173.24 173.13 2or9 s TRP 36 N -3.69 0.55 -0.03 2.43 0.52 -0.55 -0.81 118.94 117.36 2or9 s TRP 36 Ca 0.29 -0.11 0.02 0.00 0.02 0.00 0.00 56.10 56.32 2or9 s TRP 36 Cb 0.01 -0.54 0.01 0.00 -1.15 0.00 0.00 33.47 31.80 2or9 s TRP 36 CO 0.14 -0.16 -0.08 0.08 0.02 0.00 0.00 176.95 176.95 2or9 s VAL 37 N 0.92 0.73 0.19 4.03 1.01 0.15 -1.15 120.40 126.29 2or9 s VAL 37 Ca -0.11 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 61.66 2or9 s VAL 37 Cb -0.14 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2or9 s VAL 37 CO -0.01 0.25 -0.05 0.00 0.00 0.00 0.00 175.10 175.29 2or9 s ARG 38 N 0.44 2.20 -0.07 2.72 1.70 -0.66 0.19 118.95 125.48 2or9 s ARG 38 Ca -0.07 -1.25 0.01 0.00 -0.47 0.00 0.00 55.73 53.95 2or9 s ARG 38 Cb -0.11 -2.22 0.02 0.00 -0.57 0.00 0.00 34.95 32.07 2or9 s ARG 38 CO 0.01 0.43 -0.06 -1.14 -1.08 0.00 0.00 175.30 173.45 2or9 s GLN 39 N -3.01 1.14 0.69 3.89 0.74 0.12 -0.90 119.66 122.34 2or9 s GLN 39 Ca 0.27 -0.17 -0.04 0.00 0.05 0.00 0.00 55.36 55.46 2or9 s GLN 39 Cb -0.08 -1.15 0.08 0.00 1.10 0.00 0.00 33.01 32.96 2or9 s GLN 39 CO 0.17 -0.13 0.98 0.95 -0.55 0.00 0.00 175.29 176.71 2or9 s THR 40 N 1.19 2.31 0.56 -0.34 -4.23 -1.20 0.21 115.64 114.14 2or9 s THR 40 Ca -0.06 -0.43 0.26 0.00 -1.18 0.00 0.00 61.69 60.28 2or9 s THR 40 Cb -0.14 -2.88 0.38 0.00 1.34 0.00 0.00 72.50 71.19 2or9 s THR 40 CO -0.02 0.00 2.02 1.55 -0.54 0.00 0.00 174.62 177.64 2or9 h PRO 41 N -0.50 0.00 -0.35 3.99 0.13 -1.93 0.80 132.00 134.14 2or9 h PRO 41 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2or9 h PRO 41 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2or9 h PRO 41 CO 0.51 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.88 2or9 n ASP 42 N -4.11 0.35 0.00 1.44 5.75 -1.26 -4.86 116.55 113.86 2or9 n ASP 42 Ca 0.06 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 2or9 n ASP 42 Cb 0.50 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 2or9 n ASP 42 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2or9 n LYS 43 N -0.29 0.00 -1.70 0.11 4.76 0.28 -4.97 118.16 116.34 2or9 n LYS 43 Ca 0.00 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 2or9 n LYS 43 Cb 0.09 -2.20 -0.03 0.00 -1.84 0.00 0.00 35.03 31.05 2or9 n LYS 43 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2or9 n ARG 44 N -1.53 2.55 -3.27 1.97 1.74 -1.26 -4.74 116.66 112.12 2or9 n ARG 44 Ca 0.00 0.92 -0.38 0.00 -0.77 0.00 0.00 57.85 57.61 2or9 n ARG 44 Cb 0.00 -2.73 -0.06 0.00 -1.02 0.00 0.00 32.46 28.65 2or9 n ARG 44 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2or9 s LEU 45 N 0.91 4.39 -0.16 0.55 1.43 -1.26 -3.21 118.68 121.33 2or9 s LEU 45 Ca 0.75 1.05 -0.01 0.00 -1.03 0.00 0.00 54.13 54.88 2or9 s LEU 45 Cb -0.56 -2.82 0.05 0.00 0.03 0.00 0.00 46.19 42.88 2or9 s LEU 45 CO 0.36 0.11 -0.01 -0.70 0.23 0.00 0.00 176.35 176.33 2or9 s GLU 46 N -0.11 1.05 0.20 1.70 2.12 -0.08 -5.01 118.70 118.57 2or9 s GLU 46 Ca 0.29 -0.41 -0.31 0.00 0.36 0.00 0.00 54.97 54.89 2or9 s GLU 46 Cb -0.17 -1.91 -0.10 0.00 0.26 0.00 0.00 34.13 32.20 2or9 s GLU 46 CO 0.15 -0.49 1.57 -0.46 -0.54 0.00 0.00 175.26 175.49 2or9 s TRP 47 N 1.75 3.00 -0.06 5.30 -0.00 -1.26 -1.65 118.94 126.01 2or9 s TRP 47 Ca 0.00 0.68 0.02 0.00 -0.00 0.00 0.00 56.10 56.81 2or9 s TRP 47 Cb -0.16 -3.95 -0.05 0.00 -0.00 0.00 0.00 33.47 29.31 2or9 s TRP 47 CO -0.07 -3.42 -0.03 0.28 -0.00 0.00 0.00 176.95 173.71 2or9 n VAL 48 N 3.46 0.39 -3.83 5.86 0.31 -0.30 -4.70 118.33 119.52 2or9 n VAL 48 Ca 0.12 -0.18 -0.09 0.00 -0.01 0.00 0.00 64.34 64.18 2or9 n VAL 48 Cb 0.38 -0.79 -0.04 0.00 -0.91 0.00 0.00 33.84 32.49 2or9 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2or9 s ALA 49 N -2.14 -0.82 -0.28 3.52 0.00 -0.92 -3.88 121.76 117.23 2or9 s ALA 49 Ca -0.07 -0.41 -0.24 0.00 0.00 0.00 0.00 51.96 51.24 2or9 s ALA 49 Cb 0.02 0.91 0.12 0.00 0.00 0.00 0.00 23.12 24.17 2or9 s ALA 49 CO 0.18 -0.87 1.00 -0.08 0.00 0.00 0.00 175.76 175.99 2or9 s THR 50 N -3.92 0.00 0.15 0.00 -1.32 -1.03 -1.48 115.64 108.04 2or9 s THR 50 Ca 0.13 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.69 2or9 s THR 50 Cb -0.02 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.93 2or9 s THR 50 CO 0.02 0.00 -0.17 -0.51 -2.21 0.00 0.00 174.62 171.75 2or9 s ILE 51 N 0.33 1.68 0.79 5.08 2.07 -0.81 -1.34 121.20 129.00 2or9 s ILE 51 Ca 0.02 -1.87 -0.12 0.00 -1.41 0.00 0.00 60.65 57.28 2or9 s ILE 51 Cb -0.05 -1.76 0.06 0.00 0.13 0.00 0.00 42.46 40.84 2or9 s ILE 51 CO -0.06 -0.35 1.12 -0.83 -1.91 0.00 0.00 174.94 172.91 2or9 s GLY 52 N -2.61 1.61 0.15 1.50 0.00 0.24 -3.15 107.32 105.05 2or9 s GLY 52 Ca 0.14 -0.37 -0.19 0.00 0.00 0.00 0.00 44.72 44.30 2or9 s GLY 52 CO 0.06 0.07 1.68 1.48 0.00 0.00 0.00 173.10 176.38 2or9 h SER 52 N -1.00 -0.33 1.15 1.64 4.64 -1.88 -1.14 113.55 116.62 2or9 h SER 52 Ca -0.47 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2or9 h SER 52 Cb 1.28 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 2or9 h SER 52 CO 0.62 -0.12 0.00 0.03 -0.87 0.00 0.00 176.83 176.49 2or9 h ARG 53 N -0.03 0.00 0.00 4.77 3.08 -1.88 -3.45 114.38 116.88 2or9 h ARG 53 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2or9 h ARG 53 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2or9 h ARG 53 CO -0.32 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 178.99 2or9 n GLY 54 N 0.41 0.61 0.12 0.04 0.00 -0.43 -4.97 105.19 100.97 2or9 n GLY 54 Ca 0.03 -0.70 -0.17 0.00 0.00 0.00 0.00 46.02 45.17 2or9 n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2or9 n THR 55 N -2.64 1.62 -3.82 2.61 -2.24 -1.26 -4.86 114.28 103.68 2or9 n THR 55 Ca 0.00 -0.67 -0.37 0.00 -2.27 0.00 0.00 64.05 60.75 2or9 n THR 55 Cb 0.00 -1.40 -0.06 0.00 -2.10 0.00 0.00 70.33 66.77 2or9 n THR 55 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2or9 s TYR 56 N -2.54 3.57 0.05 4.78 5.04 -1.26 -4.96 117.35 122.02 2or9 s TYR 56 Ca -0.23 0.52 -0.11 0.00 -2.44 0.00 0.00 57.07 54.81 2or9 s TYR 56 Cb 0.08 -2.01 0.01 0.00 0.35 0.00 0.00 41.96 40.39 2or9 s TYR 56 CO 0.72 0.64 0.23 0.95 -1.34 0.00 0.00 175.55 176.76 2or9 s THR 57 N -0.75 0.10 -0.10 4.34 -4.23 -1.26 0.81 115.64 114.55 2or9 s THR 57 Ca 0.14 -0.85 -0.30 0.00 -1.18 0.00 0.00 61.69 59.50 2or9 s THR 57 Cb -0.12 -0.96 0.09 0.00 1.34 0.00 0.00 72.50 72.85 2or9 s THR 57 CO 0.03 -0.47 0.77 -2.28 -0.54 0.00 0.00 174.62 172.14 2or9 s HIS 58 N -2.69 -0.59 0.13 3.99 2.46 -0.45 -5.00 115.29 113.14 2or9 s HIS 58 Ca -0.04 1.05 0.01 0.00 0.47 0.00 0.00 55.06 56.55 2or9 s HIS 58 Cb -0.00 0.41 -0.04 0.00 -0.13 0.00 0.00 32.58 32.81 2or9 s HIS 58 CO -0.04 -0.52 -0.03 0.71 -2.47 0.00 0.00 174.74 172.39 2or9 s TYR 59 N -1.04 1.00 0.42 3.88 1.51 -1.26 -2.45 117.35 119.41 2or9 s TYR 59 Ca -0.08 -0.99 -0.15 0.00 -1.01 0.00 0.00 57.07 54.84 2or9 s TYR 59 Cb -0.01 -0.57 -0.08 0.00 -0.11 0.00 0.00 41.96 41.19 2or9 s TYR 59 CO 0.07 -0.22 0.85 -1.25 -1.11 0.00 0.00 175.55 173.89 2or9 s PRO 60 N -3.89 3.95 0.43 -1.71 0.04 -1.25 -4.89 135.00 127.68 2or9 s PRO 60 Ca 0.18 0.75 0.11 0.00 0.04 0.00 0.00 61.00 62.08 2or9 s PRO 60 Cb 0.06 -2.29 0.62 0.00 0.04 0.00 0.00 34.50 32.93 2or9 s PRO 60 CO -0.01 -0.06 1.24 -0.44 0.04 0.00 0.00 177.00 177.78 2or9 h ASP 61 N 1.49 0.00 0.00 6.66 3.32 -1.97 -2.89 116.42 123.03 2or9 h ASP 61 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2or9 h ASP 61 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2or9 h ASP 61 CO 0.63 0.00 0.00 -0.24 -1.72 0.00 0.00 179.24 177.91 2or9 n SER 62 N -2.20 0.00 -1.59 6.45 2.88 -1.26 -3.45 113.62 114.45 2or9 n SER 62 Ca -0.01 0.40 -0.10 0.00 -1.33 0.00 0.00 58.87 57.83 2or9 n SER 62 Cb 0.53 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.10 2or9 n SER 62 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2or9 n VAL 63 N -0.56 2.08 -2.02 2.46 0.24 -1.10 -4.93 118.33 114.50 2or9 n VAL 63 Ca 0.00 -0.99 -0.42 0.00 -2.04 0.00 0.00 64.34 60.89 2or9 n VAL 63 Cb 0.00 -0.65 -0.03 0.00 -1.47 0.00 0.00 33.84 31.69 2or9 n VAL 63 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2or9 s LYS 64 N -1.82 3.22 0.00 7.34 2.20 -1.17 -1.93 119.74 127.58 2or9 s LYS 64 Ca 0.31 1.28 0.00 0.00 -0.36 0.00 0.00 55.97 57.20 2or9 s LYS 64 Cb 0.25 -4.22 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 2or9 s LYS 64 CO 0.06 -1.99 0.00 0.41 -0.36 0.00 0.00 175.35 173.47 2or9 n GLY 65 N 5.45 2.72 0.07 5.54 0.00 -1.26 -4.88 105.19 112.84 2or9 n GLY 65 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 2or9 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2or9 n ARG 66 N -0.89 1.03 -4.17 1.61 1.74 -0.99 -4.98 116.66 110.00 2or9 n ARG 66 Ca 0.00 -0.05 -0.26 0.00 -0.77 0.00 0.00 57.85 56.77 2or9 n ARG 66 Cb 0.00 -1.44 -0.07 0.00 -1.02 0.00 0.00 32.46 29.92 2or9 n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2or9 s PHE 67 N -2.63 2.92 -0.22 -1.55 0.40 -0.81 -1.12 117.98 114.97 2or9 s PHE 67 Ca -0.08 -0.11 -0.08 0.00 -0.60 0.00 0.00 56.93 56.06 2or9 s PHE 67 Cb 0.07 -1.41 0.10 0.00 0.51 0.00 0.00 43.02 42.29 2or9 s PHE 67 CO 0.73 0.52 0.49 0.95 0.70 0.00 0.00 175.22 178.60 2or9 s THR 68 N -1.77 -0.63 0.13 0.64 -4.23 -0.73 -4.90 115.64 104.15 2or9 s THR 68 Ca 0.29 0.11 -0.13 0.00 -1.18 0.00 0.00 61.69 60.78 2or9 s THR 68 Cb -0.09 -0.76 -0.07 0.00 1.34 0.00 0.00 72.50 72.93 2or9 s THR 68 CO 0.20 0.05 0.51 0.27 -0.54 0.00 0.00 174.62 175.10 2or9 s ILE 69 N 2.50 4.93 0.14 2.99 -4.36 -1.26 -1.48 121.20 124.65 2or9 s ILE 69 Ca -0.04 0.72 -0.11 0.00 -0.26 0.00 0.00 60.65 60.96 2or9 s ILE 69 Cb -0.11 -3.71 0.00 0.00 1.25 0.00 0.00 42.46 39.89 2or9 s ILE 69 CO -0.15 0.26 0.30 -0.94 0.24 0.00 0.00 174.94 174.65 2or9 s SER 70 N -1.73 -0.01 -0.00 4.36 1.04 -0.81 -5.00 113.70 111.55 2or9 s SER 70 Ca 0.36 -0.67 -0.11 0.00 0.48 0.00 0.00 55.95 56.01 2or9 s SER 70 Cb -0.15 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.41 2or9 s SER 70 CO 0.19 -0.86 0.22 0.00 0.98 0.00 0.00 173.24 173.77 2or9 s ARG 71 N -3.90 0.59 -0.37 4.02 1.70 -1.26 0.05 118.95 119.78 2or9 s ARG 71 Ca 0.10 -0.33 0.02 0.00 -0.47 0.00 0.00 55.73 55.04 2or9 s ARG 71 Cb 0.03 0.25 0.11 0.00 -0.57 0.00 0.00 34.95 34.78 2or9 s ARG 71 CO -0.06 -0.16 0.13 0.34 -1.08 0.00 0.00 175.30 174.48 2or9 s ASP 72 N -1.44 4.14 0.51 -2.89 3.68 -0.18 -4.99 116.67 115.51 2or9 s ASP 72 Ca -0.13 -2.14 0.27 0.00 2.13 0.00 0.00 52.55 52.68 2or9 s ASP 72 Cb -0.06 -1.16 1.39 0.00 -1.45 0.00 0.00 42.92 41.63 2or9 s ASP 72 CO 0.02 -0.35 2.04 0.78 0.13 0.00 0.00 175.17 177.79 2or9 h ASN 73 N 7.49 0.00 0.89 -0.34 2.35 -1.96 -0.80 115.58 123.21 2or9 h ASN 73 Ca -0.07 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.59 2or9 h ASN 73 Cb 0.98 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 2or9 h ASN 73 CO 0.50 0.13 -0.39 0.44 -1.65 0.00 0.00 177.43 176.46 2or9 h ASP 74 N 0.00 0.00 -0.47 5.81 5.19 -1.96 -2.87 116.42 122.13 2or9 h ASP 74 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2or9 h ASP 74 Cb 0.39 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.90 2or9 h ASP 74 CO 0.02 0.39 0.00 0.29 -3.12 0.00 0.00 179.24 176.82 2or9 n LYS 75 N -3.51 2.85 -3.97 3.56 5.02 -0.73 -4.99 118.16 116.40 2or9 n LYS 75 Ca -0.00 -2.26 -0.32 0.00 -2.02 0.00 0.00 58.31 53.70 2or9 n LYS 75 Cb 0.53 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 34.15 2or9 n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2or9 n ASN 76 N 0.85 -2.17 -3.89 4.39 3.02 -0.39 -4.84 115.26 112.23 2or9 n ASN 76 Ca 0.16 -1.12 -0.12 0.00 -0.03 0.00 0.00 54.58 53.47 2or9 n ASN 76 Cb 0.50 -2.59 -0.14 0.00 -0.61 0.00 0.00 39.78 36.95 2or9 n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2or9 s ALA 77 N -3.82 0.05 0.00 5.41 0.00 -0.73 -1.45 121.76 121.22 2or9 s ALA 77 Ca 0.23 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.09 2or9 s ALA 77 Cb -0.10 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 2or9 s ALA 77 CO 0.92 -0.02 -0.01 -1.17 0.00 0.00 0.00 175.76 175.48 2or9 s LEU 78 N -0.25 3.47 0.09 0.00 2.96 -0.55 -1.01 118.68 123.39 2or9 s LEU 78 Ca -0.03 -0.03 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 2or9 s LEU 78 Cb -0.02 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2or9 s LEU 78 CO -0.00 0.28 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.90 2or9 s TYR 79 N -1.08 1.04 -0.20 5.38 1.51 0.11 0.21 117.35 124.31 2or9 s TYR 79 Ca 0.19 -0.66 -0.05 0.00 -1.01 0.00 0.00 57.07 55.54 2or9 s TYR 79 Cb -0.11 -0.57 0.07 0.00 -0.11 0.00 0.00 41.96 41.24 2or9 s TYR 79 CO 0.10 -0.01 0.12 -1.17 -1.11 0.00 0.00 175.55 173.48 2or9 s LEU 80 N -2.44 0.28 -0.18 -1.29 0.20 0.12 -1.93 118.68 113.44 2or9 s LEU 80 Ca 0.05 -0.65 -0.18 0.00 0.69 0.00 0.00 54.13 54.05 2or9 s LEU 80 Cb -0.03 -0.13 -0.04 0.00 -0.43 0.00 0.00 46.19 45.57 2or9 s LEU 80 CO -0.00 -0.36 0.47 -1.58 -0.29 0.00 0.00 176.35 174.59 2or9 s GLN 81 N 2.17 4.22 -0.11 1.98 2.00 -0.55 -0.24 119.66 129.14 2or9 s GLN 81 Ca 0.04 0.36 0.03 0.00 -2.00 0.00 0.00 55.36 53.79 2or9 s GLN 81 Cb -0.16 -3.52 -0.01 0.00 0.80 0.00 0.00 33.01 30.12 2or9 s GLN 81 CO -0.14 -0.04 -0.20 -1.64 -0.50 0.00 0.00 175.29 172.76 2or9 s MET 82 N 1.29 3.13 0.19 1.67 -1.94 0.27 -1.77 119.30 122.15 2or9 s MET 82 Ca 0.23 -0.81 0.06 0.00 -1.71 0.00 0.00 55.69 53.46 2or9 s MET 82 Cb -0.15 -2.41 -0.05 0.00 2.01 0.00 0.00 34.83 34.24 2or9 s MET 82 CO 0.09 0.21 -0.12 -0.80 -0.01 0.00 0.00 175.02 174.39 2or9 s ASN 82 N 0.30 2.31 -1.41 3.03 0.02 -0.28 -0.14 114.94 118.78 2or9 s ASN 82 Ca -0.15 -1.04 -0.01 0.00 -1.02 0.00 0.00 52.86 50.63 2or9 s ASN 82 Cb -0.17 -0.09 0.01 0.00 0.02 0.00 0.00 41.25 41.02 2or9 s ASN 82 CO 0.07 -0.25 0.51 -1.20 0.02 0.00 0.00 177.10 176.25 2or9 n SER 82 N -0.34 -0.76 -4.64 -1.22 7.64 -0.05 -4.74 113.62 109.51 2or9 n SER 82 Ca -0.08 -0.96 -0.42 0.00 1.01 0.00 0.00 58.87 58.41 2or9 n SER 82 Cb 0.61 -3.26 -0.03 0.00 -1.01 0.00 0.00 64.21 60.52 2or9 n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2or9 s LEU 82 N -6.93 4.04 0.69 -3.43 1.43 -0.43 -4.59 118.68 109.45 2or9 s LEU 82 Ca 0.06 2.16 -0.05 0.00 -1.03 0.00 0.00 54.13 55.26 2or9 s LEU 82 Cb -0.03 -3.53 0.06 0.00 0.03 0.00 0.00 46.19 42.72 2or9 s LEU 82 CO 0.87 -1.32 0.98 -0.54 0.23 0.00 0.00 176.35 176.58 2or9 s LYS 83 N 4.94 2.19 0.30 1.70 1.02 -1.26 -1.21 119.74 127.42 2or9 s LYS 83 Ca 0.85 -0.37 0.13 0.00 0.02 0.00 0.00 55.97 56.60 2or9 s LYS 83 Cb -0.35 -2.22 0.42 0.00 -0.52 0.00 0.00 37.83 35.17 2or9 s LYS 83 CO 0.35 -1.19 1.63 0.66 -0.92 0.00 0.00 175.35 175.88 2or9 h SER 84 N -0.52 0.00 0.08 2.83 4.64 -1.96 -2.94 113.55 115.69 2or9 h SER 84 Ca -0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 2or9 h SER 84 Cb 1.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2or9 h SER 84 CO 0.58 0.56 -0.03 -0.33 -0.87 0.00 0.00 176.83 176.74 2or9 h GLU 85 N 0.00 0.00 0.00 4.77 5.08 -1.93 -0.91 114.58 121.59 2or9 h GLU 85 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2or9 h GLU 85 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2or9 h GLU 85 CO 0.07 0.03 0.00 -0.25 -1.00 0.00 0.00 179.01 177.86 2or9 n ASP 86 N -3.80 0.00 -4.70 1.42 8.00 -1.11 -4.78 116.55 111.58 2or9 n ASP 86 Ca -0.03 0.17 -0.42 0.00 0.71 0.00 0.00 54.79 55.22 2or9 n ASP 86 Cb 0.12 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 2or9 n ASP 86 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2or9 s THR 87 N -2.74 2.77 -0.40 -3.53 -4.23 -0.35 -4.87 115.64 102.31 2or9 s THR 87 Ca 0.17 0.39 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 2or9 s THR 87 Cb 0.15 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.74 2or9 s THR 87 CO 0.36 0.01 0.00 0.00 -0.54 0.00 0.00 174.62 174.45 2or9 n ALA 88 N 4.95 0.00 -2.63 3.99 0.00 0.12 -4.68 120.51 122.25 2or9 n ALA 88 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.21 2or9 n ALA 88 Cb 0.39 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.75 2or9 n ALA 88 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2or9 s MET 89 N -1.25 4.06 -0.26 0.00 -2.45 0.13 0.07 119.30 119.60 2or9 s MET 89 Ca 0.00 -0.02 -0.10 0.00 -1.25 0.00 0.00 55.69 54.31 2or9 s MET 89 Cb 0.00 -3.60 -0.05 0.00 1.25 0.00 0.00 34.83 32.43 2or9 s MET 89 CO 0.00 -0.13 0.17 0.71 1.05 0.00 0.00 175.02 176.81 2or9 s TYR 90 N 1.63 3.23 0.10 4.11 1.51 0.76 0.14 117.35 128.84 2or9 s TYR 90 Ca 0.14 0.10 0.08 0.00 -1.01 0.00 0.00 57.07 56.37 2or9 s TYR 90 Cb -0.15 -2.33 -0.04 0.00 -0.11 0.00 0.00 41.96 39.33 2or9 s TYR 90 CO 0.08 -0.11 -0.16 0.71 -1.11 0.00 0.00 175.55 174.96 2or9 s TYR 91 N 1.53 2.59 0.13 2.71 1.51 0.13 -0.28 117.35 125.66 2or9 s TYR 91 Ca 0.07 -0.24 0.06 0.00 -1.01 0.00 0.00 57.07 55.96 2or9 s TYR 91 Cb -0.15 -1.39 -0.04 0.00 -0.11 0.00 0.00 41.96 40.27 2or9 s TYR 91 CO 0.08 0.37 -0.02 0.00 -1.11 0.00 0.00 175.55 174.87 2or9 s ALA 93 N -1.46 -0.28 0.38 0.00 0.00 0.01 -2.30 121.76 118.12 2or9 s ALA 93 Ca 0.25 -0.36 -0.12 0.00 0.00 0.00 0.00 51.96 51.73 2or9 s ALA 93 Cb -0.11 0.28 -0.07 0.00 0.00 0.00 0.00 23.12 23.22 2or9 s ALA 93 CO 0.17 -0.35 0.77 0.50 0.00 0.00 0.00 175.76 176.85 2or9 s ARG 94 N -2.60 3.87 0.08 0.00 3.52 -0.83 -0.06 118.95 122.92 2or9 s ARG 94 Ca -0.05 0.57 0.09 0.00 -0.13 0.00 0.00 55.73 56.21 2or9 s ARG 94 Cb -0.01 -2.39 -0.03 0.00 -1.56 0.00 0.00 34.95 30.96 2or9 s ARG 94 CO -0.04 0.02 -0.23 1.03 -0.81 0.00 0.00 175.30 175.27 2or9 s ARG 95 N -3.56 1.74 0.06 5.12 0.52 -0.03 -2.93 118.95 119.87 2or9 s ARG 95 Ca 0.53 -1.16 0.05 0.00 -0.52 0.00 0.00 55.73 54.62 2or9 s ARG 95 Cb -0.10 -2.03 -0.03 0.00 0.52 0.00 0.00 34.95 33.31 2or9 s ARG 95 CO 0.26 0.49 -0.14 -1.12 0.02 0.00 0.00 175.30 174.82 2or9 s SER 96 N -1.69 1.66 0.17 0.23 0.01 -0.46 -4.14 113.70 109.48 2or9 s SER 96 Ca 0.14 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.86 2or9 s SER 96 Cb -0.10 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.05 2or9 s SER 96 CO 0.05 -0.03 0.00 -0.62 0.41 0.00 0.00 173.24 173.06 2or9 n GLU 97 N 1.56 1.27 -4.95 12.44 -0.58 -1.26 -1.92 120.64 127.20 2or9 n GLU 97 Ca -0.20 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.27 2or9 n GLU 97 Cb 0.54 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 31.25 2or9 n GLU 97 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2or9 s PHE 98 N 0.81 1.87 0.40 -0.32 5.36 -1.26 -4.78 117.98 120.06 2or9 s PHE 98 Ca 0.00 -0.51 0.08 0.00 -0.96 0.00 0.00 56.93 55.53 2or9 s PHE 98 Cb 0.00 -1.24 -0.01 0.00 -0.34 0.00 0.00 43.02 41.42 2or9 s PHE 98 CO 0.00 -0.15 0.41 -0.47 -1.46 0.00 0.00 175.22 173.55 2or9 s TYR 99 N -0.08 2.80 0.00 10.12 5.04 -1.26 -4.23 117.35 129.72 2or9 s TYR 99 Ca -0.02 -0.42 0.00 0.00 -2.44 0.00 0.00 57.07 54.19 2or9 s TYR 99 Cb -0.11 -2.14 0.00 0.00 0.35 0.00 0.00 41.96 40.06 2or9 s TYR 99 CO 0.02 -0.12 0.35 0.66 -1.34 0.00 0.00 175.55 175.12 2or9 n TYR 100 N -1.59 0.00 -0.33 4.97 4.02 -1.26 -4.93 117.16 118.05 2or9 n TYR 100 Ca 0.03 -0.15 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 2or9 n TYR 100 Cb 0.61 -0.36 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 2or9 n TYR 100 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2or9 n GLY 100 N 2.86 0.83 3.35 2.72 0.00 -1.26 -5.06 105.19 108.63 2or9 n GLY 100 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 2or9 n GLY 100 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2or9 s ASN 100 N -2.03 0.02 0.25 1.61 0.01 -1.26 -5.33 114.94 108.21 2or9 s ASN 100 Ca 0.00 -0.83 0.12 0.00 -0.71 0.00 0.00 52.86 51.44 2or9 s ASN 100 Cb 0.00 0.44 -0.05 0.00 0.41 0.00 0.00 41.25 42.06 2or9 s ASN 100 CO 0.00 -0.90 -0.20 0.42 -1.51 0.00 0.00 177.10 174.91 2or9 s THR 100 N -3.96 2.49 0.00 1.60 -4.23 -1.26 -4.36 115.64 105.92 2or9 s THR 100 Ca 0.16 -2.26 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 2or9 s THR 100 Cb 0.03 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.60 2or9 s THR 100 CO -0.01 -0.31 0.00 0.00 -0.54 0.00 0.00 174.62 173.77 2or9 n TYR 100 N -0.35 0.00 -2.55 3.99 9.36 -1.26 -4.98 117.16 121.36 2or9 n TYR 100 Ca -0.07 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.07 2or9 n TYR 100 Cb 0.59 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.33 2or9 n TYR 100 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2or9 n SER 100 N 0.00 -2.41 -4.52 2.98 2.88 -1.13 -5.00 113.62 106.42 2or9 n SER 100 Ca 0.00 -0.28 -0.43 0.00 -1.33 0.00 0.00 58.87 56.84 2or9 n SER 100 Cb 0.00 -2.52 -0.07 0.00 -0.75 0.00 0.00 64.21 60.87 2or9 n SER 100 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2or9 s ALA 100 N -3.16 3.39 -0.92 -1.46 0.00 -0.81 -4.86 121.76 113.94 2or9 s ALA 100 Ca 0.04 -1.21 -0.23 0.00 0.00 0.00 0.00 51.96 50.56 2or9 s ALA 100 Cb -0.01 -3.20 0.06 0.00 0.00 0.00 0.00 23.12 19.97 2or9 s ALA 100 CO 0.32 -1.63 1.34 -1.64 0.00 0.00 0.00 175.76 174.14 2or9 s MET 100 N 2.62 3.48 0.00 0.00 -1.94 -1.26 -1.35 119.30 120.85 2or9 s MET 100 Ca 0.20 -1.01 0.27 0.00 -1.71 0.00 0.00 55.69 53.44 2or9 s MET 100 Cb -0.15 -4.98 0.81 0.00 2.01 0.00 0.00 34.83 32.53 2or9 s MET 100 CO 0.17 -2.11 1.62 -0.40 -0.01 0.00 0.00 175.02 174.29 2or9 n ASP 101 N 8.58 0.40 -3.76 3.03 5.68 -1.15 -4.87 116.55 124.45 2or9 n ASP 101 Ca 0.23 -0.13 -0.13 0.00 -0.50 0.00 0.00 54.79 54.27 2or9 n ASP 101 Cb 0.50 -0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.36 2or9 n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 2or9 s TYR 102 N -2.90 -0.33 0.09 2.11 1.51 -1.26 -5.00 117.35 111.56 2or9 s TYR 102 Ca 0.15 0.80 0.06 0.00 -1.01 0.00 0.00 57.07 57.07 2or9 s TYR 102 Cb 0.18 0.11 -0.03 0.00 -0.11 0.00 0.00 41.96 42.11 2or9 s TYR 102 CO 0.61 -0.18 -0.16 -1.58 -1.11 0.00 0.00 175.55 173.13 2or9 s TRP 103 N 0.41 1.42 0.86 2.71 0.52 -1.26 -1.97 118.94 121.63 2or9 s TRP 103 Ca -0.02 -0.46 -0.13 0.00 0.02 0.00 0.00 56.10 55.51 2or9 s TRP 103 Cb -0.04 -0.78 0.13 0.00 -1.15 0.00 0.00 33.47 31.63 2or9 s TRP 103 CO -0.02 0.12 1.23 0.20 0.02 0.00 0.00 176.95 178.49 2or9 s GLY 104 N -1.88 1.67 0.45 0.98 0.00 -0.97 -4.76 107.32 102.81 2or9 s GLY 104 Ca 0.02 -0.89 0.20 0.00 0.00 0.00 0.00 44.72 44.05 2or9 s GLY 104 CO 0.03 -0.30 1.95 0.06 0.00 0.00 0.00 173.10 174.84 2or9 h GLN 105 N -1.26 0.00 0.00 2.90 -0.00 -1.93 -3.45 115.11 111.36 2or9 h GLN 105 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 2or9 h GLN 105 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.77 2or9 h GLN 105 CO 0.54 0.23 0.00 0.41 -0.00 0.00 0.00 178.83 180.01 2or9 n GLY 106 N -0.56 2.89 2.66 0.06 0.00 -1.26 -5.01 105.19 103.97 2or9 n GLY 106 Ca -0.02 -1.96 -0.25 0.00 0.00 0.00 0.00 46.02 43.80 2or9 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2or9 s ALA 107 N -2.98 0.52 0.12 4.61 0.00 0.61 -4.81 121.76 119.83 2or9 s ALA 107 Ca 0.00 -0.28 -0.31 0.00 0.00 0.00 0.00 51.96 51.37 2or9 s ALA 107 Cb 0.00 -0.97 -0.08 0.00 0.00 0.00 0.00 23.12 22.07 2or9 s ALA 107 CO 0.00 -1.01 1.34 0.45 0.00 0.00 0.00 175.76 176.55 2or9 s SER 108 N 2.08 6.88 -0.10 0.00 0.15 -1.26 -0.17 113.70 121.28 2or9 s SER 108 Ca 0.02 2.29 -0.00 0.00 0.70 0.00 0.00 55.95 58.96 2or9 s SER 108 Cb -0.15 -2.59 0.02 0.00 -1.71 0.00 0.00 66.02 61.59 2or9 s SER 108 CO -0.08 -0.60 -0.07 -0.69 1.20 0.00 0.00 173.24 173.01 2or9 s VAL 109 N 0.88 0.94 -0.09 4.45 1.01 0.11 -2.60 120.40 125.09 2or9 s VAL 109 Ca 0.62 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.40 2or9 s VAL 109 Cb -0.36 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.06 2or9 s VAL 109 CO 0.32 0.35 -0.23 -0.89 0.00 0.00 0.00 175.10 174.65 2or9 s THR 110 N 1.66 1.96 -0.50 3.92 2.01 -1.08 0.11 115.64 123.72 2or9 s THR 110 Ca 0.03 -0.97 -0.03 0.00 0.31 0.00 0.00 61.69 61.03 2or9 s THR 110 Cb -0.13 -1.70 0.13 0.00 0.01 0.00 0.00 72.50 70.82 2or9 s THR 110 CO -0.07 0.54 0.30 -0.69 -0.69 0.00 0.00 174.62 174.01 2or9 s VAL 111 N 0.33 3.53 -0.07 3.82 1.01 -1.25 0.05 120.40 127.81 2or9 s VAL 111 Ca -0.17 -2.37 -0.10 0.00 0.00 0.00 0.00 61.98 59.34 2or9 s VAL 111 Cb -0.17 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 32.86 2or9 s VAL 111 CO 0.08 -0.77 0.26 -0.55 0.00 0.00 0.00 175.10 174.12 2or9 s SER 112 N 1.48 -0.22 0.49 3.32 0.15 -0.36 -4.08 113.70 114.48 2or9 s SER 112 Ca 0.11 0.35 0.29 0.00 0.70 0.00 0.00 55.95 57.40 2or9 s SER 112 Cb -0.22 0.46 0.91 0.00 -1.71 0.00 0.00 66.02 65.45 2or9 s SER 112 CO -0.04 -0.20 1.81 0.77 1.20 0.00 0.00 173.24 176.79 2or9 h SER 113 N 5.15 0.00 -3.46 5.45 4.64 -1.94 -3.34 113.55 120.04 2or9 h SER 113 Ca -0.27 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.48 2or9 h SER 113 Cb 1.19 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 63.43 2or9 h SER 113 CO 0.36 0.00 0.13 0.00 -0.87 0.00 0.00 176.83 176.45 2or9 n ALA 114 N -2.08 0.20 -1.42 5.18 0.00 -1.26 -4.97 120.51 116.16 2or9 n ALA 114 Ca 0.02 0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 2or9 n ALA 114 Cb 0.40 -2.10 0.09 0.00 0.00 0.00 0.00 19.45 17.84 2or9 n ALA 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2or9 s LYS 115 N -2.56 2.11 -0.26 0.00 1.02 -1.26 -5.01 119.74 113.78 2or9 s LYS 115 Ca 0.72 0.86 -0.20 0.00 0.02 0.00 0.00 55.97 57.37 2or9 s LYS 115 Cb -0.45 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 34.94 2or9 s LYS 115 CO 0.50 -1.66 0.61 0.99 -0.92 0.00 0.00 175.35 174.87 2or9 s THR 116 N -3.03 4.99 -0.12 2.17 2.01 -1.26 -4.72 115.64 115.68 2or9 s THR 116 Ca 0.61 1.08 0.02 0.00 0.31 0.00 0.00 61.69 63.71 2or9 s THR 116 Cb -0.16 -3.92 0.01 0.00 0.01 0.00 0.00 72.50 68.44 2or9 s THR 116 CO 0.55 0.02 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.44 2or9 s THR 117 N 2.49 1.73 0.76 -0.82 2.01 -0.56 -4.97 115.64 116.28 2or9 s THR 117 Ca 0.25 -0.78 -0.13 0.00 0.31 0.00 0.00 61.69 61.35 2or9 s THR 117 Cb -0.15 -1.56 0.05 0.00 0.01 0.00 0.00 72.50 70.85 2or9 s THR 117 CO 0.09 0.49 1.13 -2.16 -0.69 0.00 0.00 174.62 173.47 2or9 s PRO 118 N 0.94 2.14 0.47 4.92 0.04 -1.26 -1.99 135.00 140.25 2or9 s PRO 118 Ca -0.06 1.43 -0.02 0.00 0.04 0.00 0.00 61.00 62.39 2or9 s PRO 118 Cb -0.15 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 2or9 s PRO 118 CO -0.02 -1.77 0.72 -1.25 0.04 0.00 0.00 177.00 174.72 2or9 s PRO 119 N -4.42 3.15 -0.25 0.56 0.04 -1.26 -4.37 135.00 128.45 2or9 s PRO 119 Ca 0.67 -0.28 -0.09 0.00 0.04 0.00 0.00 61.00 61.34 2or9 s PRO 119 Cb -0.22 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 2or9 s PRO 119 CO 0.50 -0.30 0.12 -1.12 0.04 0.00 0.00 177.00 176.24 2or9 s SER 120 N -4.20 5.55 -0.43 6.66 0.01 -0.01 -4.94 113.70 116.34 2or9 s SER 120 Ca 0.48 -0.09 -0.15 0.00 1.31 0.00 0.00 55.95 57.51 2or9 s SER 120 Cb -0.10 -2.01 0.04 0.00 0.21 0.00 0.00 66.02 64.16 2or9 s SER 120 CO 0.40 -0.02 0.33 -0.69 0.41 0.00 0.00 173.24 173.67 2or9 s VAL 121 N 1.52 5.15 -0.15 3.43 1.01 -1.26 -1.88 120.40 128.22 2or9 s VAL 121 Ca 0.06 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 2or9 s VAL 121 Cb -0.15 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 2or9 s VAL 121 CO 0.06 -0.41 -0.06 -0.31 0.00 0.00 0.00 175.10 174.38 2or9 s TYR 122 N 1.64 2.97 0.54 5.22 2.02 -0.02 -4.93 117.35 124.79 2or9 s TYR 122 Ca 0.04 -0.41 -0.19 0.00 -0.37 0.00 0.00 57.07 56.15 2or9 s TYR 122 Cb -0.21 -1.93 -0.06 0.00 -0.40 0.00 0.00 41.96 39.35 2or9 s TYR 122 CO 0.08 -0.10 1.08 -1.25 -1.57 0.00 0.00 175.55 173.79 2or9 s PRO 123 N 0.40 3.50 -0.30 -1.71 0.04 -1.26 0.57 135.00 136.25 2or9 s PRO 123 Ca -0.06 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2or9 s PRO 123 Cb -0.15 -2.04 0.09 0.00 0.04 0.00 0.00 34.50 32.44 2or9 s PRO 123 CO 0.03 -0.69 0.06 -0.51 0.04 0.00 0.00 177.00 175.93 2or9 s LEU 124 N -3.87 2.84 0.27 -3.56 1.02 0.23 -4.81 118.68 110.79 2or9 s LEU 124 Ca 0.68 -1.63 0.08 0.00 0.02 0.00 0.00 54.13 53.28 2or9 s LEU 124 Cb -0.19 -1.08 -0.04 0.00 0.02 0.00 0.00 46.19 44.90 2or9 s LEU 124 CO 0.27 -0.37 0.11 0.00 0.02 0.00 0.00 176.35 176.37 2or9 s ALA 125 N 1.42 3.40 0.23 4.21 0.00 -1.26 -1.76 121.76 128.01 2or9 s ALA 125 Ca 0.07 -1.58 -0.31 0.00 0.00 0.00 0.00 51.96 50.14 2or9 s ALA 125 Cb -0.18 -1.00 -0.14 0.00 0.00 0.00 0.00 23.12 21.80 2or9 s ALA 125 CO -0.17 0.22 1.31 -0.35 0.00 0.00 0.00 175.76 176.77 2or9 n PRO 126 N -1.06 1.77 -0.02 0.00 -0.04 -1.26 -4.93 135.00 129.46 2or9 n PRO 126 Ca -0.06 0.63 -0.10 0.00 -0.04 0.00 0.00 63.50 63.93 2or9 n PRO 126 Cb 0.59 -2.22 -0.03 0.00 -0.04 0.00 0.00 33.50 31.80 2or9 n PRO 126 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2or9 h GLY 127 N 3.72 -0.32 0.00 0.55 0.00 -1.98 -3.51 103.07 101.54 2or9 h GLY 127 Ca -0.44 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2or9 h GLY 127 CO 0.72 -0.21 -0.79 -1.14 0.00 0.00 0.00 176.54 175.12 2or9 n SER 128 N -5.39 0.01 0.00 0.19 3.41 -1.26 -5.25 113.62 105.32 2or9 n SER 128 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2or9 n SER 128 Cb 0.31 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2or9 n SER 128 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2or9 n SER 134 N -2.90 0.00 -3.99 4.04 2.88 -1.26 -5.21 113.62 107.18 2or9 n SER 134 Ca 0.00 0.42 -0.09 0.00 -1.33 0.00 0.00 58.87 57.88 2or9 n SER 134 Cb 0.39 -0.42 -0.11 0.00 -0.75 0.00 0.00 64.21 63.32 2or9 n SER 134 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2or9 s MET 135 N -2.85 0.38 0.01 -1.46 1.00 -1.26 -1.18 119.30 113.95 2or9 s MET 135 Ca 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 55.69 55.01 2or9 s MET 135 Cb 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 34.83 34.96 2or9 s MET 135 CO 0.00 -0.07 -0.06 0.54 0.00 0.00 0.00 175.02 175.43 2or9 s VAL 136 N -1.90 0.47 -0.13 -6.03 0.11 0.15 -4.75 120.40 108.32 2or9 s VAL 136 Ca -0.12 -0.56 -0.04 0.00 -2.93 0.00 0.00 61.98 58.33 2or9 s VAL 136 Cb -0.07 -0.45 -0.03 0.00 -1.53 0.00 0.00 36.38 34.30 2or9 s VAL 136 CO -0.02 -0.08 0.02 -0.89 -3.33 0.00 0.00 175.10 170.79 2or9 s THR 137 N -0.62 4.43 0.37 5.04 2.01 -1.26 -0.88 115.64 124.73 2or9 s THR 137 Ca -0.03 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 61.82 2or9 s THR 137 Cb -0.05 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 2or9 s THR 137 CO 0.00 0.55 0.09 -0.76 -0.69 0.00 0.00 174.62 173.81 2or9 s LEU 138 N -0.33 2.07 0.03 4.42 1.43 0.83 -4.51 118.68 122.62 2or9 s LEU 138 Ca 0.07 -1.54 -0.29 0.00 -1.03 0.00 0.00 54.13 51.34 2or9 s LEU 138 Cb -0.12 -0.25 0.10 0.00 0.03 0.00 0.00 46.19 45.95 2or9 s LEU 138 CO 0.02 -0.79 1.11 -0.83 0.23 0.00 0.00 176.35 176.09 2or9 s GLY 139 N -3.56 -0.34 0.00 -3.19 0.00 -0.72 -0.26 107.32 99.25 2or9 s GLY 139 Ca 0.28 0.61 0.06 0.00 0.00 0.00 0.00 44.72 45.67 2or9 s GLY 139 CO 0.14 0.14 -0.18 0.00 0.00 0.00 0.00 173.10 173.20 2or9 s LEU 141 N -0.64 3.76 -0.37 0.00 0.20 0.19 -1.57 118.68 120.25 2or9 s LEU 141 Ca 0.07 0.16 0.01 0.00 0.69 0.00 0.00 54.13 55.06 2or9 s LEU 141 Cb -0.07 -1.90 0.12 0.00 -0.43 0.00 0.00 46.19 43.91 2or9 s LEU 141 CO -0.00 0.31 0.17 -0.69 -0.29 0.00 0.00 176.35 175.85 2or9 s VAL 142 N -0.48 1.13 0.21 1.68 1.01 -0.05 -0.84 120.40 123.06 2or9 s VAL 142 Ca 0.09 -1.98 0.09 0.00 0.00 0.00 0.00 61.98 60.19 2or9 s VAL 142 Cb -0.12 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2or9 s VAL 142 CO 0.02 -0.79 -0.08 -0.75 0.00 0.00 0.00 175.10 173.50 2or9 s LYS 143 N 0.98 2.08 -1.12 2.72 2.20 -0.79 -1.26 119.74 124.55 2or9 s LYS 143 Ca 0.14 -1.35 -0.01 0.00 -0.36 0.00 0.00 55.97 54.40 2or9 s LYS 143 Cb -0.21 -2.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.99 2or9 s LYS 143 CO -0.11 0.41 0.94 0.41 -0.36 0.00 0.00 175.35 176.64 2or9 n GLY 144 N -0.24 -0.31 3.39 5.54 0.00 -1.08 -0.83 105.19 111.67 2or9 n GLY 144 Ca -0.09 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 2or9 n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2or9 s TYR 145 N -3.33 1.91 -0.28 1.61 -0.85 -1.08 -4.47 117.35 110.86 2or9 s TYR 145 Ca 0.04 -0.51 -0.24 0.00 -0.52 0.00 0.00 57.07 55.84 2or9 s TYR 145 Cb -0.02 -0.89 0.11 0.00 0.38 0.00 0.00 41.96 41.54 2or9 s TYR 145 CO 0.68 0.46 0.92 0.12 -1.52 0.00 0.00 175.55 176.21 2or9 s PHE 146 N -2.83 -0.60 0.00 -3.49 5.36 -0.84 -1.42 117.98 114.16 2or9 s PHE 146 Ca 0.25 1.42 0.00 0.00 -0.96 0.00 0.00 56.93 57.65 2or9 s PHE 146 Cb -0.02 0.35 0.00 0.00 -0.34 0.00 0.00 43.02 43.02 2or9 s PHE 146 CO 0.10 -0.29 0.00 -0.35 -1.46 0.00 0.00 175.22 173.22 2or9 n PRO 147 N 2.58 1.16 -1.87 10.12 -0.04 -1.26 -1.49 135.00 144.19 2or9 n PRO 147 Ca -0.14 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.99 2or9 n PRO 147 Cb 0.56 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.05 2or9 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2or9 s GLU 148 N -1.46 3.01 0.22 0.54 0.41 -1.26 -4.76 118.70 115.40 2or9 s GLU 148 Ca 0.00 1.32 0.00 0.00 -0.41 0.00 0.00 54.97 55.88 2or9 s GLU 148 Cb 0.00 -1.98 0.00 0.00 -1.78 0.00 0.00 34.13 30.37 2or9 s GLU 148 CO 0.00 -1.07 0.04 -0.35 -0.49 0.00 0.00 175.26 173.39 2or9 n PRO 149 N -2.26 1.40 -4.12 0.39 -0.04 -1.26 -4.91 135.00 124.20 2or9 n PRO 149 Ca 0.10 -1.53 -0.11 0.00 -0.04 0.00 0.00 63.50 61.92 2or9 n PRO 149 Cb 0.52 0.35 -0.11 0.00 -0.04 0.00 0.00 33.50 34.23 2or9 n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2or9 s VAL 150 N -1.62 0.59 -0.12 0.52 -7.23 -1.26 -4.44 120.40 106.84 2or9 s VAL 150 Ca 0.03 -1.56 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 2or9 s VAL 150 Cb -0.00 -1.21 0.00 0.00 0.56 0.00 0.00 36.38 35.73 2or9 s VAL 150 CO 0.02 -0.68 -0.23 0.42 -0.31 0.00 0.00 175.10 174.32 2or9 s THR 151 N -2.70 2.09 0.00 5.32 -4.23 -0.92 -4.95 115.64 110.25 2or9 s THR 151 Ca 0.02 -0.99 0.02 0.00 -1.18 0.00 0.00 61.69 59.56 2or9 s THR 151 Cb -0.01 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 2or9 s THR 151 CO -0.03 0.55 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.89 2or9 s VAL 152 N 0.60 3.95 -0.03 2.29 1.01 -1.26 -2.51 120.40 124.45 2or9 s VAL 152 Ca -0.12 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 60.99 2or9 s VAL 152 Cb -0.17 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.50 2or9 s VAL 152 CO 0.03 0.38 0.40 -0.89 0.00 0.00 0.00 175.10 175.02 2or9 s THR 153 N -1.06 0.04 -0.16 3.92 2.01 0.08 -4.95 115.64 115.53 2or9 s THR 153 Ca 0.19 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 2or9 s THR 153 Cb -0.11 -0.70 -0.01 0.00 0.01 0.00 0.00 72.50 71.69 2or9 s THR 153 CO 0.09 -0.18 -0.12 0.26 -0.69 0.00 0.00 174.62 173.98 2or9 s TRP 154 N -1.19 2.84 -1.46 4.92 0.52 -1.26 0.16 118.94 123.47 2or9 s TRP 154 Ca -0.12 -0.85 -0.10 0.00 0.02 0.00 0.00 56.10 55.05 2or9 s TRP 154 Cb -0.04 -1.92 0.05 0.00 -1.15 0.00 0.00 33.47 30.41 2or9 s TRP 154 CO 0.05 -0.38 0.79 0.09 0.02 0.00 0.00 176.95 177.53 2or9 n ASN 155 N 4.00 -5.17 -1.80 2.95 4.13 0.20 -1.82 115.26 117.75 2or9 n ASN 155 Ca -0.18 -0.52 -0.20 0.00 1.68 0.00 0.00 54.58 55.36 2or9 n ASN 155 Cb 0.52 -4.16 -0.07 0.00 -1.54 0.00 0.00 39.78 34.54 2or9 n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2or9 n SER 156 N -2.65 -5.44 0.00 6.41 7.64 -1.26 -1.90 113.62 116.42 2or9 n SER 156 Ca -0.02 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.23 2or9 n SER 156 Cb 0.56 -4.74 0.00 0.00 -1.01 0.00 0.00 64.21 59.02 2or9 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2or9 n GLY 157 N -0.54 1.43 0.34 0.23 0.00 -0.76 -4.95 105.19 100.94 2or9 n GLY 157 Ca -0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 2or9 n GLY 157 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2or9 h SER 158 N 0.00 0.95 -3.48 1.61 0.02 -1.38 -3.36 113.55 107.91 2or9 h SER 158 Ca 0.00 -0.08 -0.71 0.00 -0.84 0.00 0.00 61.79 60.16 2or9 h SER 158 Cb 0.00 -0.24 -0.20 0.00 0.14 0.00 0.00 62.40 62.10 2or9 h SER 158 CO 0.00 0.76 -0.30 -0.76 -1.14 0.00 0.00 176.83 175.39 2or9 s LEU 159 N -9.78 5.07 -0.08 5.07 2.01 -1.06 -4.87 118.68 115.05 2or9 s LEU 159 Ca -0.11 -0.87 -0.03 0.00 0.01 0.00 0.00 54.13 53.13 2or9 s LEU 159 Cb 0.17 -2.27 -0.04 0.00 0.01 0.00 0.00 46.19 44.06 2or9 s LEU 159 CO 0.80 -0.55 -0.09 -1.54 1.01 0.00 0.00 176.35 175.98 2or9 n SER 160 N 5.40 1.55 -4.84 2.29 3.41 -1.26 -4.32 113.62 115.84 2or9 n SER 160 Ca -0.09 0.05 -0.32 0.00 -0.26 0.00 0.00 58.87 58.25 2or9 n SER 160 Cb 0.47 -0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 64.17 2or9 n SER 160 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2or9 s SER 161 N -5.41 6.69 -0.02 4.04 1.04 -1.26 -3.66 113.70 115.12 2or9 s SER 161 Ca -0.11 1.55 0.00 0.00 0.48 0.00 0.00 55.95 57.86 2or9 s SER 161 Cb 0.04 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.66 2or9 s SER 161 CO 0.16 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2or9 n GLY 162 N -1.30 0.45 3.76 7.32 0.00 -1.26 -4.74 105.19 109.42 2or9 n GLY 162 Ca 0.06 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2or9 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2or9 s VAL 163 N -1.91 4.75 -0.21 1.61 1.01 -1.24 -0.33 120.40 124.08 2or9 s VAL 163 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 2or9 s VAL 163 Cb 0.00 -3.06 0.07 0.00 0.00 0.00 0.00 36.38 33.39 2or9 s VAL 163 CO 0.00 0.55 0.09 -1.00 0.00 0.00 0.00 175.10 174.74 2or9 s HIS 164 N -1.00 0.43 -0.31 5.22 3.76 0.22 -4.97 115.29 118.63 2or9 s HIS 164 Ca 0.16 -0.61 -0.08 0.00 -0.15 0.00 0.00 55.06 54.39 2or9 s HIS 164 Cb -0.12 -0.84 0.01 0.00 1.11 0.00 0.00 32.58 32.74 2or9 s HIS 164 CO 0.06 -0.62 0.10 0.99 -0.85 0.00 0.00 174.74 174.42 2or9 s THR 165 N 2.06 4.08 0.34 1.30 2.01 -1.26 0.19 115.64 124.35 2or9 s THR 165 Ca 0.04 -0.73 -0.10 0.00 0.31 0.00 0.00 61.69 61.21 2or9 s THR 165 Cb -0.16 -3.15 -0.07 0.00 0.01 0.00 0.00 72.50 69.13 2or9 s THR 165 CO -0.16 0.01 0.68 -0.36 -0.69 0.00 0.00 174.62 174.10 2or9 s PHE 166 N 1.51 3.45 0.37 4.92 0.40 -0.68 -5.01 117.98 122.94 2or9 s PHE 166 Ca 0.02 0.95 -0.27 0.00 -0.60 0.00 0.00 56.93 57.03 2or9 s PHE 166 Cb -0.18 -2.35 -0.11 0.00 0.51 0.00 0.00 43.02 40.89 2or9 s PHE 166 CO 0.03 0.05 1.32 -2.30 0.70 0.00 0.00 175.22 175.03 2or9 n PRO 167 N -0.87 2.17 -2.34 0.24 -0.02 -1.26 -4.40 135.00 128.52 2or9 n PRO 167 Ca 0.01 0.76 -0.33 0.00 -2.02 0.00 0.00 63.50 61.92 2or9 n PRO 167 Cb 0.54 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 2or9 n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2or9 s ALA 168 N -1.13 2.83 0.07 3.55 0.00 -1.26 -4.78 121.76 121.04 2or9 s ALA 168 Ca 0.57 0.49 0.05 0.00 0.00 0.00 0.00 51.96 53.07 2or9 s ALA 168 Cb -0.53 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 2or9 s ALA 168 CO 0.61 -0.50 -0.05 0.08 0.00 0.00 0.00 175.76 175.89 2or9 s VAL 169 N -2.21 3.69 -0.23 0.00 1.01 0.76 -4.86 120.40 118.55 2or9 s VAL 169 Ca 0.65 -1.03 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 2or9 s VAL 169 Cb -0.16 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 2or9 s VAL 169 CO 0.27 0.19 0.31 -0.22 0.00 0.00 0.00 175.10 175.66 2or9 s LEU 170 N -2.03 4.12 -0.26 3.92 2.96 -1.26 -1.39 118.68 124.73 2or9 s LEU 170 Ca 0.22 0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 54.44 2or9 s LEU 170 Cb -0.11 -2.36 0.08 0.00 0.50 0.00 0.00 46.19 44.30 2or9 s LEU 170 CO 0.14 -0.05 0.08 -1.58 -1.32 0.00 0.00 176.35 173.62 2or9 s GLN 171 N 1.39 0.59 -1.07 1.98 2.00 -0.49 -4.92 119.66 119.13 2or9 s GLN 171 Ca 0.14 -0.71 -0.21 0.00 -2.00 0.00 0.00 55.36 52.57 2or9 s GLN 171 Cb -0.15 -1.88 0.03 0.00 0.80 0.00 0.00 33.01 31.81 2or9 s GLN 171 CO 0.07 -0.86 0.67 0.43 -0.50 0.00 0.00 175.29 175.10 2or9 n SER 172 N 5.00 -4.56 -3.61 6.67 7.64 -1.26 -1.82 113.62 121.69 2or9 n SER 172 Ca -0.05 -1.14 -0.23 0.00 1.01 0.00 0.00 58.87 58.45 2or9 n SER 172 Cb 0.44 -1.87 0.07 0.00 -1.01 0.00 0.00 64.21 61.84 2or9 n SER 172 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2or9 n ASP 173 N -2.34 -5.22 -3.30 6.43 8.00 -1.26 -5.00 116.55 113.86 2or9 n ASP 173 Ca -0.18 -0.59 0.03 0.00 0.71 0.00 0.00 54.79 54.76 2or9 n ASP 173 Cb 0.61 -4.89 -0.02 0.00 -0.02 0.00 0.00 41.12 36.80 2or9 n ASP 173 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2or9 s LEU 174 N -7.11 -1.27 0.53 0.64 1.43 -0.75 -4.88 118.68 107.26 2or9 s LEU 174 Ca 0.47 1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 54.50 2or9 s LEU 174 Cb -0.21 2.17 -0.06 0.00 0.03 0.00 0.00 46.19 48.13 2or9 s LEU 174 CO 0.74 -0.24 0.94 -0.31 0.23 0.00 0.00 176.35 177.72 2or9 s TYR 175 N 2.87 3.54 -0.16 0.29 2.02 -0.51 -1.40 117.35 124.00 2or9 s TYR 175 Ca 0.12 1.25 -0.13 0.00 -0.37 0.00 0.00 57.07 57.94 2or9 s TYR 175 Cb -0.14 -2.65 0.05 0.00 -0.40 0.00 0.00 41.96 38.82 2or9 s TYR 175 CO -0.20 -0.44 0.41 0.95 -1.57 0.00 0.00 175.55 174.70 2or9 s THR 176 N -2.81 -0.01 0.12 -0.71 -4.23 -0.49 -2.63 115.64 104.88 2or9 s THR 176 Ca 0.55 0.03 -0.13 0.00 -1.18 0.00 0.00 61.69 60.95 2or9 s THR 176 Cb -0.10 -0.59 0.02 0.00 1.34 0.00 0.00 72.50 73.17 2or9 s THR 176 CO 0.42 0.01 0.32 -1.48 -0.54 0.00 0.00 174.62 173.35 2or9 s LEU 177 N 0.54 0.79 0.30 4.79 0.05 -0.39 -0.17 118.68 124.59 2or9 s LEU 177 Ca -0.03 -0.49 0.04 0.00 0.05 0.00 0.00 54.13 53.70 2or9 s LEU 177 Cb -0.04 1.52 -0.06 0.00 -2.05 0.00 0.00 46.19 45.55 2or9 s LEU 177 CO -0.03 -0.82 0.04 -0.94 -0.55 0.00 0.00 176.35 174.05 2or9 s SER 178 N -2.84 2.25 -0.02 1.48 1.04 -1.26 -0.87 113.70 113.47 2or9 s SER 178 Ca 0.05 -1.34 -0.06 0.00 0.48 0.00 0.00 55.95 55.08 2or9 s SER 178 Cb 0.03 -0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.09 2or9 s SER 178 CO -0.10 -0.58 0.14 -0.55 0.98 0.00 0.00 173.24 173.12 2or9 s SER 179 N -3.45 -0.04 0.03 7.02 0.15 -0.61 -1.69 113.70 115.10 2or9 s SER 179 Ca 0.35 0.00 0.02 0.00 0.70 0.00 0.00 55.95 57.03 2or9 s SER 179 Cb 0.08 0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 64.62 2or9 s SER 179 CO 0.14 -0.23 -0.08 -0.94 1.20 0.00 0.00 173.24 173.33 2or9 s SER 180 N -0.75 0.92 -0.02 5.45 1.04 0.13 -0.72 113.70 119.74 2or9 s SER 180 Ca -0.08 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 55.97 2or9 s SER 180 Cb -0.05 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.07 2or9 s SER 180 CO 0.01 -0.07 -0.01 0.54 0.98 0.00 0.00 173.24 174.69 2or9 s VAL 181 N -0.86 0.23 -0.14 5.02 0.11 0.64 0.70 120.40 126.09 2or9 s VAL 181 Ca -0.04 0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 59.00 2or9 s VAL 181 Cb -0.07 -0.28 -0.02 0.00 -1.53 0.00 0.00 36.38 34.48 2or9 s VAL 181 CO 0.00 0.13 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.93 2or9 s THR 182 N 0.70 3.49 0.14 5.04 2.01 0.55 -0.12 115.64 127.45 2or9 s THR 182 Ca -0.07 -0.51 -0.01 0.00 0.31 0.00 0.00 61.69 61.41 2or9 s THR 182 Cb -0.10 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 2or9 s THR 182 CO -0.01 0.51 0.08 0.68 -0.69 0.00 0.00 174.62 175.19 2or9 s VAL 183 N 0.33 0.09 0.54 3.82 -7.23 -0.06 -4.64 120.40 113.24 2or9 s VAL 183 Ca -0.07 -1.90 -0.20 0.00 -1.81 0.00 0.00 61.98 58.00 2or9 s VAL 183 Cb -0.15 -2.10 -0.06 0.00 0.56 0.00 0.00 36.38 34.64 2or9 s VAL 183 CO 0.04 -0.39 1.15 -2.16 -0.31 0.00 0.00 175.10 173.43 2or9 s PRO 184 N -4.06 3.34 0.00 4.82 0.04 -1.26 0.30 135.00 138.18 2or9 s PRO 184 Ca 0.26 1.67 0.07 0.00 0.04 0.00 0.00 61.00 63.04 2or9 s PRO 184 Cb 0.07 -2.04 0.30 0.00 0.04 0.00 0.00 34.50 32.87 2or9 s PRO 184 CO 0.03 -0.87 1.20 0.43 0.04 0.00 0.00 177.00 177.83 2or9 n SER 185 N -1.25 0.00 0.01 6.66 7.64 -0.33 -1.89 113.62 124.47 2or9 n SER 185 Ca 0.11 0.46 -0.18 0.00 1.01 0.00 0.00 58.87 60.27 2or9 n SER 185 Cb 0.50 -0.47 -0.10 0.00 -1.01 0.00 0.00 64.21 63.14 2or9 n SER 185 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2or9 h SER 186 N 0.00 0.76 1.71 6.43 0.02 -1.89 -3.30 113.55 117.28 2or9 h SER 186 Ca 0.00 -0.71 -0.04 0.00 -0.84 0.00 0.00 61.79 60.20 2or9 h SER 186 Cb 0.11 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2or9 h SER 186 CO 0.00 1.36 -0.19 0.71 -1.14 0.00 0.00 176.83 177.57 2or9 h THR 187 N 0.24 0.34 -3.87 -2.27 1.35 -1.75 -3.40 112.91 103.56 2or9 h THR 187 Ca -0.08 -1.42 -0.35 0.00 -0.55 0.00 0.00 66.41 64.00 2or9 h THR 187 Cb 1.44 2.12 -0.29 0.00 -1.73 0.00 0.00 68.15 69.68 2or9 h THR 187 CO 0.16 0.19 -0.76 0.86 -0.25 0.00 0.00 175.52 175.71 2or9 s TRP 188 N -3.17 0.58 -2.01 4.73 -0.00 -1.20 0.14 118.94 118.02 2or9 s TRP 188 Ca 0.05 -0.12 0.07 0.00 -0.00 0.00 0.00 56.10 56.11 2or9 s TRP 188 Cb 0.06 -0.41 0.37 0.00 -0.00 0.00 0.00 33.47 33.50 2or9 s TRP 188 CO 0.69 -0.04 1.25 -0.35 -0.00 0.00 0.00 176.95 178.50 2or9 n PRO 189 N 3.11 1.13 -0.34 5.86 -0.04 -1.26 -4.59 135.00 138.88 2or9 n PRO 189 Ca -0.15 -0.20 0.22 0.00 -0.04 0.00 0.00 63.50 63.33 2or9 n PRO 189 Cb 0.57 -1.13 0.49 0.00 -0.04 0.00 0.00 33.50 33.38 2or9 n PRO 189 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2or9 h SER 190 N 0.35 0.49 -4.18 3.54 0.02 -1.76 -3.40 113.55 108.62 2or9 h SER 190 Ca 0.00 0.10 -0.47 0.00 -0.84 0.00 0.00 61.79 60.58 2or9 h SER 190 Cb 0.08 0.03 -0.20 0.00 0.14 0.00 0.00 62.40 62.44 2or9 h SER 190 CO 0.00 0.06 -0.79 -1.61 -1.14 0.00 0.00 176.83 173.35 2or9 s GLU 191 N -5.55 1.02 0.64 3.45 2.02 0.38 -5.06 118.70 115.59 2or9 s GLU 191 Ca -0.09 -1.14 -0.18 0.00 0.02 0.00 0.00 54.97 53.58 2or9 s GLU 191 Cb 0.26 -1.08 -0.02 0.00 0.10 0.00 0.00 34.13 33.39 2or9 s GLU 191 CO 0.80 0.24 1.28 0.95 0.02 0.00 0.00 175.26 178.54 2or9 s THR 192 N -1.53 2.14 -0.15 3.63 -4.23 -1.26 -4.38 115.64 109.86 2or9 s THR 192 Ca 0.05 0.09 -0.04 0.00 -1.18 0.00 0.00 61.69 60.61 2or9 s THR 192 Cb -0.08 -3.03 0.05 0.00 1.34 0.00 0.00 72.50 70.78 2or9 s THR 192 CO 0.04 -0.02 0.08 -0.69 -0.54 0.00 0.00 174.62 173.49 2or9 s VAL 193 N -1.43 -0.08 0.00 2.29 1.01 -1.26 -5.01 120.40 115.92 2or9 s VAL 193 Ca 0.82 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.75 2or9 s VAL 193 Cb -0.36 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 2or9 s VAL 193 CO 0.38 -0.20 -0.06 -0.89 0.00 0.00 0.00 175.10 174.33 2or9 s THR 194 N 2.14 0.47 -0.08 3.92 2.01 -1.26 -0.68 115.64 122.16 2or9 s THR 194 Ca 0.02 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.62 2or9 s THR 194 Cb -0.15 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 2or9 s THR 194 CO -0.08 0.05 0.06 0.00 -0.69 0.00 0.00 174.62 173.96 2or9 s ASN 196 N -1.09 4.92 0.28 0.00 -0.87 0.41 -2.55 114.94 116.04 2or9 s ASN 196 Ca 0.16 -0.27 0.10 0.00 -1.57 0.00 0.00 52.86 51.28 2or9 s ASN 196 Cb -0.12 -1.87 -0.05 0.00 -0.02 0.00 0.00 41.25 39.19 2or9 s ASN 196 CO 0.05 -0.04 -0.06 -0.69 -2.57 0.00 0.00 177.10 173.79 2or9 s VAL 197 N 1.58 3.08 -0.28 1.60 1.01 -0.34 -0.74 120.40 126.30 2or9 s VAL 197 Ca 0.06 -2.06 -0.16 0.00 0.00 0.00 0.00 61.98 59.82 2or9 s VAL 197 Cb -0.15 -2.68 0.11 0.00 0.00 0.00 0.00 36.38 33.66 2or9 s VAL 197 CO 0.02 -0.36 0.79 0.00 0.00 0.00 0.00 175.10 175.54 2or9 s ALA 198 N -2.40 -2.03 -0.37 5.51 0.00 -1.04 -2.60 121.76 118.83 2or9 s ALA 198 Ca 0.31 2.35 0.01 0.00 0.00 0.00 0.00 51.96 54.63 2or9 s ALA 198 Cb -0.05 -1.55 0.10 0.00 0.00 0.00 0.00 23.12 21.62 2or9 s ALA 198 CO 0.18 -0.41 0.12 -1.58 0.00 0.00 0.00 175.76 174.08 2or9 s HIS 199 N 1.62 3.67 0.47 0.00 2.46 -1.12 -2.17 115.29 120.22 2or9 s HIS 199 Ca -0.09 -2.70 0.22 0.00 0.47 0.00 0.00 55.06 52.96 2or9 s HIS 199 Cb -0.05 -3.04 1.33 0.00 -0.13 0.00 0.00 32.58 30.69 2or9 s HIS 199 CO -0.18 -0.96 2.08 -1.35 -2.47 0.00 0.00 174.74 171.86 2or9 h PRO 200 N 7.83 0.00 -0.13 2.88 0.11 -1.82 0.85 132.00 141.73 2or9 h PRO 200 Ca -0.09 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 2or9 h PRO 200 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2or9 h PRO 200 CO 0.60 0.11 -0.05 0.00 -0.21 0.00 0.00 178.00 178.46 2or9 h ALA 201 N 1.89 1.69 0.00 -0.75 0.00 -1.91 -3.02 119.26 117.15 2or9 h ALA 201 Ca -0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2or9 h ALA 201 Cb 0.24 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.87 2or9 h ALA 201 CO 0.01 0.24 -0.57 -1.13 0.00 0.00 0.00 179.25 177.80 2or9 n SER 202 N -4.37 1.53 -4.18 0.00 3.41 -1.02 -4.99 113.62 103.98 2or9 n SER 202 Ca -0.01 -3.25 -0.30 0.00 -0.26 0.00 0.00 58.87 55.05 2or9 n SER 202 Cb 0.19 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 63.64 2or9 n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2or9 n SER 203 N -0.71 -0.25 -4.96 4.04 7.64 -0.76 -4.93 113.62 113.69 2or9 n SER 203 Ca 0.15 -1.14 -0.23 0.00 1.01 0.00 0.00 58.87 58.66 2or9 n SER 203 Cb 0.80 -2.30 -0.02 0.00 -1.01 0.00 0.00 64.21 61.68 2or9 n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2or9 s THR 204 N -4.00 5.25 -0.32 0.44 2.01 0.22 -4.97 115.64 114.26 2or9 s THR 204 Ca 0.16 -0.83 -0.08 0.00 0.31 0.00 0.00 61.69 61.24 2or9 s THR 204 Cb -0.09 -3.83 0.19 0.00 0.01 0.00 0.00 72.50 68.78 2or9 s THR 204 CO 0.95 -0.29 1.01 -1.59 -0.69 0.00 0.00 174.62 174.00 2or9 s LYS 205 N -3.81 0.22 0.02 4.92 -2.85 -1.26 -2.78 119.74 114.20 2or9 s LYS 205 Ca 0.35 -0.02 0.00 0.00 -1.00 0.00 0.00 55.97 55.31 2or9 s LYS 205 Cb -0.10 0.04 -0.04 0.00 -2.06 0.00 0.00 37.83 35.68 2or9 s LYS 205 CO 0.30 -0.34 0.08 0.08 0.10 0.00 0.00 175.35 175.57 2or9 s VAL 206 N 2.19 4.69 -0.55 1.79 1.01 -1.07 -4.97 120.40 123.50 2or9 s VAL 206 Ca 0.18 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.70 2or9 s VAL 206 Cb 0.01 -3.18 0.17 0.00 0.00 0.00 0.00 36.38 33.38 2or9 s VAL 206 CO -0.16 0.29 0.40 -1.81 0.00 0.00 0.00 175.10 173.81 2or9 s ASP 207 N -1.92 3.21 -0.57 3.32 1.11 -1.26 -1.20 116.67 119.36 2or9 s ASP 207 Ca 0.25 -3.36 -0.28 0.00 0.18 0.00 0.00 52.55 49.33 2or9 s ASP 207 Cb -0.12 -1.04 0.03 0.00 1.07 0.00 0.00 42.92 42.86 2or9 s ASP 207 CO 0.16 -0.14 1.24 -0.54 1.18 0.00 0.00 175.17 177.07 2or9 s LYS 208 N -0.58 3.49 -0.03 8.23 -0.14 -1.06 -4.84 119.74 124.82 2or9 s LYS 208 Ca 0.27 0.33 -0.30 0.00 -1.36 0.00 0.00 55.97 54.91 2or9 s LYS 208 Cb -0.03 -4.03 -0.04 0.00 -1.68 0.00 0.00 37.83 32.04 2or9 s LYS 208 CO -0.16 -1.71 1.27 0.21 -0.76 0.00 0.00 175.35 174.20 2or9 s LYS 209 N 5.04 4.34 0.02 1.68 2.20 -1.26 -2.84 119.74 128.91 2or9 s LYS 209 Ca 0.46 1.78 -0.30 0.00 -0.36 0.00 0.00 55.97 57.55 2or9 s LYS 209 Cb -0.08 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 2or9 s LYS 209 CO 0.26 -0.47 1.05 0.42 -0.36 0.00 0.00 175.35 176.25 2or9 s ILE 210 N 2.16 4.60 0.06 5.43 1.01 0.14 -4.97 121.20 129.64 2or9 s ILE 210 Ca 0.59 1.86 0.10 0.00 0.00 0.00 0.00 60.65 63.20 2or9 s ILE 210 Cb -0.27 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 37.97 2or9 s ILE 210 CO 0.24 0.14 -0.26 -0.69 0.00 0.00 0.00 174.94 174.37 2or9 s VAL 211 N 1.07 2.18 -2.00 2.92 1.01 -1.26 -4.62 120.40 119.70 2or9 s VAL 211 Ca 0.54 -1.47 0.02 0.00 0.00 0.00 0.00 61.98 61.07 2or9 s VAL 211 Cb -0.24 -1.88 0.06 0.00 0.00 0.00 0.00 36.38 34.32 2or9 s VAL 211 CO 0.28 0.30 0.60 -0.81 0.00 0.00 0.00 175.10 175.48