#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8m n SER 2 N 0.00 -1.00 -3.34 1.61 2.88 -1.26 -4.83 113.62 107.68 2d8m n SER 2 Ca 0.00 1.74 -0.21 0.00 -1.33 0.00 0.00 58.87 59.06 2d8m n SER 2 Cb 0.00 -0.24 0.08 0.00 -0.75 0.00 0.00 64.21 63.29 2d8m n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2d8m n SER 3 N -5.13 -5.43 -3.88 -3.46 7.64 -1.26 -4.99 113.62 97.12 2d8m n SER 3 Ca 0.02 -0.51 -0.30 0.00 1.01 0.00 0.00 58.87 59.09 2d8m n SER 3 Cb 0.25 -4.70 -0.15 0.00 -1.01 0.00 0.00 64.21 58.60 2d8m n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2d8m s GLY 4 N -3.45 1.45 0.20 0.23 0.00 -1.26 -4.67 107.32 99.81 2d8m s GLY 4 Ca 0.46 -1.97 0.07 0.00 0.00 0.00 0.00 44.72 43.27 2d8m s GLY 4 CO 0.67 1.25 0.11 -0.56 0.00 0.00 0.00 173.10 174.57 2d8m s SER 5 N 1.30 5.25 -0.09 1.64 0.01 -1.26 -5.12 113.70 115.43 2d8m s SER 5 Ca 0.08 -0.27 0.03 0.00 1.31 0.00 0.00 55.95 57.10 2d8m s SER 5 Cb -0.18 -1.27 0.01 0.00 0.21 0.00 0.00 66.02 64.78 2d8m s SER 5 CO -0.16 0.04 -0.17 -0.55 0.41 0.00 0.00 173.24 172.81 2d8m s SER 6 N -3.31 2.40 0.00 2.44 0.15 -1.26 -4.98 113.70 109.14 2d8m s SER 6 Ca 0.31 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.53 2d8m s SER 6 Cb -0.09 -1.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 2d8m s SER 6 CO 0.22 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.36 2d8m n GLY 7 N 3.74 3.77 3.07 9.45 0.00 -1.26 -5.18 105.19 118.79 2d8m n GLY 7 Ca -0.21 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 2d8m n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2d8m s GLU 8 N 3.88 0.41 0.55 1.61 1.03 -1.26 -5.17 118.70 119.76 2d8m s GLU 8 Ca 0.00 -0.37 -0.09 0.00 0.03 0.00 0.00 54.97 54.53 2d8m s GLU 8 Cb 0.00 0.17 0.14 0.00 -0.80 0.00 0.00 34.13 33.64 2d8m s GLU 8 CO 0.00 -0.09 0.49 -0.35 -1.33 0.00 0.00 175.26 173.98 2d8m n PRO 9 N 1.65 -1.98 -3.23 -4.83 -0.04 -1.26 -4.47 135.00 120.84 2d8m n PRO 9 Ca -0.22 -0.79 -0.16 0.00 -0.04 0.00 0.00 63.50 62.30 2d8m n PRO 9 Cb 0.56 -0.74 0.05 0.00 -0.04 0.00 0.00 33.50 33.33 2d8m n PRO 9 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2d8m n ARG 10 N -3.01 -5.33 -4.07 0.54 0.63 -1.26 -5.03 116.66 99.13 2d8m n ARG 10 Ca 0.07 0.55 -0.12 0.00 -0.92 0.00 0.00 57.85 57.43 2d8m n ARG 10 Cb 0.26 -4.76 -0.11 0.00 0.45 0.00 0.00 32.46 28.30 2d8m n ARG 10 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2d8m s ARG 11 N -5.86 0.56 0.42 -0.14 1.81 -1.26 -5.04 118.95 109.43 2d8m s ARG 11 Ca 0.39 -0.84 0.20 0.00 -1.72 0.00 0.00 55.73 53.76 2d8m s ARG 11 Cb -0.17 -0.25 0.89 0.00 -0.45 0.00 0.00 34.95 34.97 2d8m s ARG 11 CO 0.49 0.03 1.83 -1.00 -0.68 0.00 0.00 175.30 175.97 2d8m h PRO 12 N 4.25 0.00 -6.88 3.54 0.13 -1.96 -3.44 132.00 127.64 2d8m h PRO 12 Ca -0.35 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.28 2d8m h PRO 12 Cb 1.20 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.34 2d8m h PRO 12 CO 0.45 0.30 0.44 0.50 -0.23 0.00 0.00 178.00 179.45 2d8m s ARG 13 N -3.83 4.43 -0.47 0.86 6.06 -1.26 -4.97 118.95 119.78 2d8m s ARG 13 Ca -0.01 1.65 0.03 0.00 -2.50 0.00 0.00 55.73 54.90 2d8m s ARG 13 Cb 0.12 -2.89 0.46 0.00 0.06 0.00 0.00 34.95 32.70 2d8m s ARG 13 CO 0.66 0.06 1.61 0.00 -2.50 0.00 0.00 175.30 175.13 2d8m n ALA 14 N 0.61 5.60 -0.53 6.12 0.00 -1.26 -5.05 120.51 126.01 2d8m n ALA 14 Ca 0.02 -3.60 0.00 0.00 0.00 0.00 0.00 53.44 49.86 2d8m n ALA 14 Cb 0.47 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2d8m n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d8m n GLY 15 N -0.84 -3.34 0.00 0.00 0.00 -1.26 -4.51 105.19 95.24 2d8m n GLY 15 Ca 0.52 -1.10 0.08 0.00 0.00 0.00 0.00 46.02 45.52 2d8m n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8m n PRO 16 N -1.53 0.46 0.18 1.61 -0.04 -1.26 -3.70 135.00 130.73 2d8m n PRO 16 Ca 0.00 0.01 -0.07 0.00 -0.04 0.00 0.00 63.50 63.40 2d8m n PRO 16 Cb 0.10 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.03 2d8m n PRO 16 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2d8m h GLU 17 N 0.00 -0.46 -0.31 0.54 4.22 -1.83 0.51 114.58 117.25 2d8m h GLU 17 Ca 0.00 0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.53 2d8m h GLU 17 Cb 0.01 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 2d8m h GLU 17 CO 0.00 -0.30 -0.09 1.49 -2.18 0.00 0.00 179.01 177.92 2d8m h GLU 18 N -0.53 -0.02 -0.32 1.92 4.57 -1.79 -1.31 114.58 117.09 2d8m h GLU 18 Ca -0.05 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2d8m h GLU 18 Cb 0.36 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 2d8m h GLU 18 CO 0.08 -0.02 0.20 -0.07 -1.18 0.00 0.00 179.01 178.03 2d8m h LEU 19 N -0.02 0.34 -1.29 1.64 -0.00 -1.71 -1.27 115.31 112.99 2d8m h LEU 19 Ca 0.15 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 2d8m h LEU 19 Cb 0.26 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 2d8m h LEU 19 CO -0.33 0.25 0.00 0.61 -0.00 0.00 0.00 178.44 178.96 2d8m n GLY 20 N -1.18 -0.98 0.86 0.83 0.00 0.18 -0.82 105.19 104.06 2d8m n GLY 20 Ca -0.01 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.27 2d8m n GLY 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d8m n LYS 21 N -2.28 2.08 -0.08 1.61 4.76 -0.48 -3.44 118.16 120.33 2d8m n LYS 21 Ca -0.01 -1.68 -0.11 0.00 -2.87 0.00 0.00 58.31 53.65 2d8m n LYS 21 Cb 0.09 -1.38 -0.05 0.00 -1.84 0.00 0.00 35.03 31.85 2d8m n LYS 21 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2d8m n ILE 22 N 0.86 1.46 -1.48 -0.18 5.41 -0.00 -4.51 119.36 120.92 2d8m n ILE 22 Ca 0.16 0.12 -0.20 0.00 1.00 0.00 0.00 62.75 63.83 2d8m n ILE 22 Cb 0.41 -2.27 0.13 0.00 -0.71 0.00 0.00 39.64 37.20 2d8m n ILE 22 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2d8m n LEU 23 N -4.53 5.76 -4.61 1.39 4.77 0.33 -4.76 117.00 115.36 2d8m n LEU 23 Ca -0.17 -4.06 -0.43 0.00 -0.03 0.00 0.00 56.01 51.33 2d8m n LEU 23 Cb 0.43 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 2d8m n LEU 23 CO 0.13 1.43 1.82 -1.58 -1.33 0.00 0.00 177.39 177.86 2d8m s GLN 24 N -3.48 3.21 0.00 3.23 0.74 -1.22 -1.43 119.66 120.71 2d8m s GLN 24 Ca 0.54 2.05 0.00 0.00 0.05 0.00 0.00 55.36 58.00 2d8m s GLN 24 Cb 0.45 -4.35 0.00 0.00 1.10 0.00 0.00 33.01 30.21 2d8m s GLN 24 CO 0.03 -2.02 0.00 0.41 -0.55 0.00 0.00 175.29 173.16 2d8m n GLY 25 N 5.66 1.21 3.43 2.59 0.00 -1.25 -5.08 105.19 111.74 2d8m n GLY 25 Ca 0.29 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 2d8m n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d8m s VAL 26 N -2.00 2.40 -0.07 1.61 1.01 -0.51 -5.07 120.40 117.77 2d8m s VAL 26 Ca 0.00 -1.91 0.01 0.00 0.00 0.00 0.00 61.98 60.08 2d8m s VAL 26 Cb 0.00 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.27 2d8m s VAL 26 CO 0.00 -0.05 -0.08 -0.69 0.00 0.00 0.00 175.10 174.28 2d8m s VAL 27 N -1.48 0.89 0.35 2.92 1.01 -1.26 -0.68 120.40 122.14 2d8m s VAL 27 Ca 0.19 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 61.96 2d8m s VAL 27 Cb -0.09 -0.87 -0.06 0.00 0.00 0.00 0.00 36.38 35.36 2d8m s VAL 27 CO 0.09 0.31 -0.06 0.68 0.00 0.00 0.00 175.10 176.12 2d8m s VAL 28 N 1.02 2.33 -0.01 2.92 -7.23 0.60 -1.66 120.40 118.37 2d8m s VAL 28 Ca -0.09 -2.13 0.01 0.00 -1.81 0.00 0.00 61.98 57.96 2d8m s VAL 28 Cb -0.14 -2.71 0.01 0.00 0.56 0.00 0.00 36.38 34.10 2d8m s VAL 28 CO -0.00 -0.19 -0.01 -0.69 -0.31 0.00 0.00 175.10 173.90 2d8m s VAL 29 N -2.59 0.14 -0.30 1.32 1.01 -1.18 -2.53 120.40 116.26 2d8m s VAL 29 Ca 0.33 -0.01 -0.21 0.00 0.00 0.00 0.00 61.98 62.08 2d8m s VAL 29 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.24 2d8m s VAL 29 CO 0.17 0.07 0.69 -0.76 0.00 0.00 0.00 175.10 175.27 2d8m s LEU 30 N 0.30 4.12 -0.23 3.92 1.43 -1.26 -0.57 118.68 126.40 2d8m s LEU 30 Ca -0.03 0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 53.58 2d8m s LEU 30 Cb -0.05 -2.91 0.07 0.00 0.03 0.00 0.00 46.19 43.33 2d8m s LEU 30 CO -0.01 -0.52 0.02 -0.55 0.23 0.00 0.00 176.35 175.52 2d8m s SER 31 N 1.62 3.40 0.00 2.29 0.15 -0.59 -4.83 113.70 115.74 2d8m s SER 31 Ca 0.28 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.86 2d8m s SER 31 Cb -0.15 -0.83 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 2d8m s SER 31 CO 0.12 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2d8m n GLY 32 N 4.89 0.48 3.26 9.45 0.00 -1.26 -1.92 105.19 120.10 2d8m n GLY 32 Ca -0.09 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 2d8m n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2d8m s PHE 33 N -2.13 1.44 -0.04 1.61 0.08 -1.26 -4.41 117.98 113.27 2d8m s PHE 33 Ca 0.00 -0.59 -0.02 0.00 0.12 0.00 0.00 56.93 56.43 2d8m s PHE 33 Cb 0.00 -0.73 0.02 0.00 -0.57 0.00 0.00 43.02 41.74 2d8m s PHE 33 CO 0.00 0.17 0.10 1.14 -0.10 0.00 0.00 175.22 176.53 2d8m s GLN 34 N -3.04 0.07 0.74 0.44 -2.07 -1.26 -4.81 119.66 109.73 2d8m s GLN 34 Ca 0.13 0.22 -0.15 0.00 -1.82 0.00 0.00 55.36 53.74 2d8m s GLN 34 Cb -0.03 -0.09 0.04 0.00 -1.09 0.00 0.00 33.01 31.85 2d8m s GLN 34 CO 0.03 -0.09 1.21 0.54 -1.32 0.00 0.00 175.29 175.66 2d8m s ASN 35 N 0.63 4.14 0.34 12.60 2.20 -1.26 -0.53 114.94 133.06 2d8m s ASN 35 Ca -0.05 2.37 0.13 0.00 -0.94 0.00 0.00 52.86 54.37 2d8m s ASN 35 Cb -0.07 -2.59 0.60 0.00 -2.00 0.00 0.00 41.25 37.19 2d8m s ASN 35 CO -0.03 -2.30 1.74 1.55 -2.94 0.00 0.00 177.10 175.12 2d8m h PRO 36 N -0.34 0.00 -0.76 3.55 0.13 -2.01 -3.44 132.00 129.13 2d8m h PRO 36 Ca -0.48 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.74 2d8m h PRO 36 Cb 1.30 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.33 2d8m h PRO 36 CO 0.49 0.46 -0.41 0.34 -0.23 0.00 0.00 178.00 178.65 2d8m n PHE 37 N -3.91 -0.24 -0.31 1.56 7.35 -0.88 0.99 117.46 122.02 2d8m n PHE 37 Ca -0.01 0.95 0.05 0.00 -0.76 0.00 0.00 57.45 57.68 2d8m n PHE 37 Cb 0.49 -0.62 0.13 0.00 0.35 0.00 0.00 39.48 39.84 2d8m n PHE 37 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2d8m h ARG 38 N 0.00 0.01 0.62 -4.13 2.43 -1.10 0.26 114.38 112.47 2d8m h ARG 38 Ca 0.16 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2d8m h ARG 38 Cb 0.35 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2d8m h ARG 38 CO -0.73 0.01 -0.30 1.03 -1.51 0.00 0.00 179.97 178.47 2d8m h SER 39 N 0.01 -0.70 -1.02 -3.80 0.87 0.35 -2.06 113.55 107.20 2d8m h SER 39 Ca 0.44 0.02 0.35 0.00 -1.23 0.00 0.00 61.79 61.38 2d8m h SER 39 Cb 0.70 0.18 -0.15 0.00 -0.44 0.00 0.00 62.40 62.69 2d8m h SER 39 CO -0.89 -0.33 0.58 -0.08 -0.53 0.00 0.00 176.83 175.58 2d8m h GLU 40 N -1.18 0.22 0.20 2.24 4.81 -0.17 0.14 114.58 120.85 2d8m h GLU 40 Ca -0.08 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2d8m h GLU 40 Cb 0.64 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2d8m h GLU 40 CO 0.14 0.15 -0.10 1.25 -0.73 0.00 0.00 179.01 179.72 2d8m h LEU 41 N 0.23 -0.23 -0.60 1.64 5.85 -0.48 -3.07 115.31 118.65 2d8m h LEU 41 Ca 0.77 -0.25 0.12 0.00 0.84 0.00 0.00 57.88 59.36 2d8m h LEU 41 Cb 1.88 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.86 2d8m h LEU 41 CO -0.63 0.15 -0.03 -0.09 -0.34 0.00 0.00 178.44 177.50 2d8m h ARG 42 N -0.66 0.08 -0.04 1.25 2.43 -0.03 -2.25 114.38 115.17 2d8m h ARG 42 Ca -0.03 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2d8m h ARG 42 Cb 0.47 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 2d8m h ARG 42 CO 0.05 0.06 -0.40 0.22 -1.51 0.00 0.00 179.97 178.38 2d8m h ASP 43 N 0.09 -1.26 -0.79 -3.80 3.58 -1.23 -0.96 116.42 112.05 2d8m h ASP 43 Ca 0.31 0.14 0.17 0.00 0.42 0.00 0.00 57.03 58.07 2d8m h ASP 43 Cb 0.49 0.48 -0.14 0.00 1.72 0.00 0.00 39.33 41.88 2d8m h ASP 43 CO -0.54 -0.38 -0.10 0.11 -2.88 0.00 0.00 179.24 175.46 2d8m h LYS 44 N -0.47 0.04 -0.67 0.28 1.57 -1.33 0.31 116.57 116.30 2d8m h LYS 44 Ca 0.01 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.88 2d8m h LYS 44 Cb 0.53 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.76 2d8m h LYS 44 CO -0.29 0.03 0.32 0.00 -0.57 0.00 0.00 179.45 178.93 2d8m h ALA 45 N 1.77 0.90 -0.45 3.86 0.00 -0.78 -1.85 119.26 122.71 2d8m h ALA 45 Ca 0.41 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.33 2d8m h ALA 45 Cb 0.69 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2d8m h ALA 45 CO -0.76 -0.07 0.10 -0.07 0.00 0.00 0.00 179.25 178.45 2d8m h LEU 46 N 0.56 0.69 -0.65 0.00 3.38 0.82 -2.23 115.31 117.88 2d8m h LEU 46 Ca 0.32 -0.24 0.09 0.00 0.09 0.00 0.00 57.88 58.14 2d8m h LEU 46 Cb 0.33 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 2d8m h LEU 46 CO -0.26 0.75 0.29 -0.33 0.09 0.00 0.00 178.44 178.98 2d8m h GLU 47 N 0.60 0.49 0.00 1.13 3.07 -0.24 0.14 114.58 119.76 2d8m h GLU 47 Ca 0.14 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.97 2d8m h GLU 47 Cb 0.34 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2d8m h GLU 47 CO 0.00 0.32 -0.01 -0.07 -1.40 0.00 0.00 179.01 177.86 2d8m h LEU 48 N 0.50 0.00 0.00 1.33 3.38 -1.20 -0.54 115.31 118.78 2d8m h LEU 48 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2d8m h LEU 48 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2d8m h LEU 48 CO -0.28 0.01 0.00 0.61 0.09 0.00 0.00 178.44 178.87 2d8m n GLY 49 N -1.19 1.33 3.92 0.83 0.00 0.49 -0.51 105.19 110.06 2d8m n GLY 49 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 2d8m n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d8m s ALA 50 N -2.00 3.86 -0.01 4.61 0.00 -0.85 -3.93 121.76 123.44 2d8m s ALA 50 Ca 0.00 -0.79 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 2d8m s ALA 50 Cb 0.00 -1.98 -0.06 0.00 0.00 0.00 0.00 23.12 21.08 2d8m s ALA 50 CO 0.00 0.55 0.41 0.15 0.00 0.00 0.00 175.76 176.87 2d8m s LYS 51 N -3.07 3.96 -0.36 0.00 3.01 0.14 -4.12 119.74 119.31 2d8m s LYS 51 Ca 0.38 0.42 -0.11 0.00 -1.01 0.00 0.00 55.97 55.65 2d8m s LYS 51 Cb -0.11 -3.24 0.01 0.00 -1.01 0.00 0.00 37.83 33.48 2d8m s LYS 51 CO 0.28 0.65 0.20 -0.47 0.51 0.00 0.00 175.35 176.52 2d8m s TYR 52 N -0.94 3.22 -0.01 3.18 5.04 -1.26 -0.29 117.35 126.30 2d8m s TYR 52 Ca 0.24 -0.73 -0.01 0.00 -2.44 0.00 0.00 57.07 54.14 2d8m s TYR 52 Cb -0.17 -2.43 -0.04 0.00 0.35 0.00 0.00 41.96 39.67 2d8m s TYR 52 CO 0.13 -0.55 0.08 1.03 -1.34 0.00 0.00 175.55 174.90 2d8m s ARG 53 N 1.60 3.07 0.27 4.97 1.81 -1.05 -5.02 118.95 124.61 2d8m s ARG 53 Ca 0.04 -0.48 0.05 0.00 -1.72 0.00 0.00 55.73 53.62 2d8m s ARG 53 Cb -0.18 -2.87 0.36 0.00 -0.45 0.00 0.00 34.95 31.81 2d8m s ARG 53 CO 0.07 0.65 1.65 -1.00 -0.68 0.00 0.00 175.30 175.99 2d8m h PRO 54 N 4.13 0.30 -4.58 3.54 0.13 -1.97 -3.38 132.00 130.17 2d8m h PRO 54 Ca -0.49 -0.16 -0.22 0.00 -0.87 0.00 0.00 66.00 64.26 2d8m h PRO 54 Cb 1.18 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 2d8m h PRO 54 CO 0.62 0.70 -0.66 -0.51 -0.23 0.00 0.00 178.00 177.91 2d8m s ASP 55 N -6.88 0.79 -1.10 1.44 1.11 -1.26 -4.92 116.67 105.85 2d8m s ASP 55 Ca -0.05 -1.14 -0.25 0.00 0.18 0.00 0.00 52.55 51.29 2d8m s ASP 55 Cb 0.13 0.19 -0.17 0.00 1.07 0.00 0.00 42.92 44.14 2d8m s ASP 55 CO 0.79 -0.62 2.01 1.87 1.18 0.00 0.00 175.17 180.40 2d8m n TRP 56 N -0.12 1.79 -2.32 4.23 -0.00 -1.26 -4.90 117.44 114.87 2d8m n TRP 56 Ca -0.08 -0.84 -0.30 0.00 -0.00 0.00 0.00 57.50 56.28 2d8m n TRP 56 Cb 0.63 -2.55 -0.00 0.00 -0.00 0.00 0.00 31.31 29.38 2d8m n TRP 56 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2d8m s THR 57 N 13.82 4.77 0.64 5.87 -1.32 -1.26 -4.91 115.64 133.24 2d8m s THR 57 Ca 0.74 0.64 0.31 0.00 -1.21 0.00 0.00 61.69 62.18 2d8m s THR 57 Cb -0.02 -3.84 0.34 0.00 -1.51 0.00 0.00 72.50 67.48 2d8m s THR 57 CO 0.17 -0.92 1.99 0.08 -2.21 0.00 0.00 174.62 173.73 2d8m h ARG 58 N 0.20 0.00 0.00 7.08 0.11 -2.06 0.55 114.38 120.27 2d8m h ARG 58 Ca -0.46 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.55 2d8m h ARG 58 Cb 1.19 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 2d8m h ARG 58 CO 0.62 0.00 -0.33 -0.44 0.10 0.00 0.00 179.97 179.92 2d8m h ASP 59 N 0.00 0.00 -2.99 0.08 5.19 -1.96 -3.44 116.42 113.29 2d8m h ASP 59 Ca 0.06 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.93 2d8m h ASP 59 Cb 0.68 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.20 2d8m h ASP 59 CO -0.00 0.33 0.75 -0.44 -3.12 0.00 0.00 179.24 176.75 2d8m s SER 60 N -6.36 6.90 -0.23 6.45 0.01 0.19 -4.68 113.70 115.98 2d8m s SER 60 Ca 0.05 2.14 -0.08 0.00 1.31 0.00 0.00 55.95 59.37 2d8m s SER 60 Cb 0.07 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.62 2d8m s SER 60 CO 0.71 -0.65 -0.27 0.35 0.41 0.00 0.00 173.24 173.80 2d8m n THR 61 N 4.33 1.26 -4.15 1.44 -2.24 -1.12 -4.85 114.28 108.95 2d8m n THR 61 Ca 0.12 -0.36 -0.30 0.00 -2.27 0.00 0.00 64.05 61.23 2d8m n THR 61 Cb 0.44 -1.66 -0.08 0.00 -2.10 0.00 0.00 70.33 66.93 2d8m n THR 61 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2d8m s HIS 62 N -2.42 2.93 -0.21 4.78 3.76 -0.67 -2.46 115.29 120.99 2d8m s HIS 62 Ca -0.31 -0.06 0.02 0.00 -0.15 0.00 0.00 55.06 54.55 2d8m s HIS 62 Cb 0.11 -1.51 0.04 0.00 1.11 0.00 0.00 32.58 32.33 2d8m s HIS 62 CO 0.43 0.47 -0.16 -1.17 -0.85 0.00 0.00 174.74 173.45 2d8m s LEU 63 N -2.29 2.62 -0.79 0.89 2.96 -0.28 -3.13 118.68 118.66 2d8m s LEU 63 Ca 0.25 -0.93 -0.23 0.00 -0.22 0.00 0.00 54.13 52.99 2d8m s LEU 63 Cb -0.12 -1.50 0.06 0.00 0.50 0.00 0.00 46.19 45.14 2d8m s LEU 63 CO 0.17 -0.08 1.17 -0.63 -1.32 0.00 0.00 176.35 175.67 2d8m s ILE 64 N 1.22 4.13 -0.39 6.68 -1.09 0.26 -2.73 121.20 129.29 2d8m s ILE 64 Ca -0.00 -0.38 -0.15 0.00 -2.23 0.00 0.00 60.65 57.89 2d8m s ILE 64 Cb -0.16 -4.84 0.01 0.00 -1.58 0.00 0.00 42.46 35.89 2d8m s ILE 64 CO -0.10 -1.68 0.32 0.00 -1.23 0.00 0.00 174.94 172.25 2d8m h ALA 66 N 8.60 1.37 -2.14 0.00 0.00 -1.59 -3.35 119.26 122.15 2d8m h ALA 66 Ca -0.28 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2d8m h ALA 66 Cb 1.13 0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.74 2d8m h ALA 66 CO 0.72 -0.15 0.07 -0.59 0.00 0.00 0.00 179.25 179.30 2d8m s PHE 67 N -5.93 -0.59 1.22 0.00 -0.71 -1.26 -4.78 117.98 105.93 2d8m s PHE 67 Ca -0.12 1.13 -0.20 0.00 -1.04 0.00 0.00 56.93 56.70 2d8m s PHE 67 Cb 0.23 0.31 0.31 0.00 -1.21 0.00 0.00 43.02 42.66 2d8m s PHE 67 CO 0.78 -0.50 0.82 0.00 -1.34 0.00 0.00 175.22 174.99 2d8m n ALA 68 N 1.45 -4.08 -2.46 1.99 0.00 -1.26 -4.23 120.51 111.92 2d8m n ALA 68 Ca -0.18 -1.37 -0.12 0.00 0.00 0.00 0.00 53.44 51.77 2d8m n ALA 68 Cb 0.56 -0.11 0.01 0.00 0.00 0.00 0.00 19.45 19.91 2d8m n ALA 68 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2d8m n ASN 69 N -5.21 -3.91 -4.64 0.00 4.13 -1.26 -5.03 115.26 99.34 2d8m n ASN 69 Ca 0.12 -0.09 -0.25 0.00 1.68 0.00 0.00 54.58 56.04 2d8m n ASN 69 Cb 0.52 -2.96 -0.08 0.00 -1.54 0.00 0.00 39.78 35.72 2d8m n ASN 69 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2d8m s THR 70 N -2.74 3.54 -0.14 3.41 -4.23 -1.26 -5.02 115.64 109.20 2d8m s THR 70 Ca 0.09 -1.62 0.29 0.00 -1.18 0.00 0.00 61.69 59.27 2d8m s THR 70 Cb -0.04 -2.81 0.33 0.00 1.34 0.00 0.00 72.50 71.32 2d8m s THR 70 CO 0.11 -0.19 1.87 1.55 -0.54 0.00 0.00 174.62 177.42 2d8m h PRO 71 N 2.48 0.00 0.00 3.99 0.13 -1.96 -2.72 132.00 133.92 2d8m h PRO 71 Ca -0.46 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.56 2d8m h PRO 71 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2d8m h PRO 71 CO 0.58 0.00 -1.69 1.63 -0.23 0.00 0.00 178.00 178.29 2d8m n LYS 72 N -2.70 0.64 -0.04 0.86 4.76 -1.26 -3.52 118.16 116.90 2d8m n LYS 72 Ca 0.01 0.02 -0.16 0.00 -2.87 0.00 0.00 58.31 55.31 2d8m n LYS 72 Cb 0.26 -1.67 -0.07 0.00 -1.84 0.00 0.00 35.03 31.72 2d8m n LYS 72 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 2d8m h TYR 73 N 0.00 0.98 0.00 2.13 5.03 -1.87 -2.15 116.97 121.09 2d8m h TYR 73 Ca -0.14 -0.41 0.00 0.00 2.58 0.00 0.00 58.73 60.77 2d8m h TYR 73 Cb 1.37 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 39.49 2d8m h TYR 73 CO 0.00 1.22 0.00 1.03 -1.32 0.00 0.00 178.16 179.09 2d8m h SER 74 N 0.46 0.00 0.01 -2.11 0.87 -1.71 -2.73 113.55 108.34 2d8m h SER 74 Ca -0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2d8m h SER 74 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2d8m h SER 74 CO 0.13 0.00 -0.00 -0.61 -0.53 0.00 0.00 176.83 175.82 2d8m h GLN 75 N 0.00 -0.01 0.00 2.24 5.75 -1.58 -3.26 115.11 118.25 2d8m h GLN 75 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2d8m h GLN 75 Cb 0.91 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.46 2d8m h GLN 75 CO 0.00 0.80 0.00 0.28 -2.65 0.00 0.00 178.83 177.26 2d8m n VAL 76 N -4.65 0.77 -0.06 2.39 0.31 -0.82 -2.93 118.33 113.34 2d8m n VAL 76 Ca -0.08 0.10 -0.14 0.00 -0.01 0.00 0.00 64.34 64.20 2d8m n VAL 76 Cb 0.39 -1.02 -0.07 0.00 -0.91 0.00 0.00 33.84 32.23 2d8m n VAL 76 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2d8m h LEU 77 N 0.00 0.64 -0.28 7.52 5.85 -1.56 -1.05 115.31 126.42 2d8m h LEU 77 Ca 0.00 -0.55 -0.21 0.00 0.84 0.00 0.00 57.88 57.96 2d8m h LEU 77 Cb 0.47 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2d8m h LEU 77 CO 0.00 1.07 -0.81 1.23 -0.34 0.00 0.00 178.44 179.58 2d8m h GLY 78 N 0.23 0.53 1.01 3.75 0.00 -1.57 -3.24 103.07 103.77 2d8m h GLY 78 Ca 0.01 -0.80 -0.00 0.00 0.00 0.00 0.00 47.33 46.53 2d8m h GLY 78 CO 0.08 0.71 0.51 1.41 0.00 0.00 0.00 176.54 179.26 2d8m h LEU 79 N 0.31 0.98 0.00 3.11 3.38 -1.58 -3.47 115.31 118.04 2d8m h LEU 79 Ca -0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2d8m h LEU 79 Cb 1.42 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2d8m h LEU 79 CO 0.15 0.74 0.00 0.61 0.09 0.00 0.00 178.44 180.03 2d8m n GLY 80 N -1.24 1.45 3.96 0.83 0.00 -1.07 -5.12 105.19 104.00 2d8m n GLY 80 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 2d8m n GLY 80 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2d8m s GLY 81 N -2.00 1.31 -0.72 -0.02 0.00 -0.42 -5.04 107.32 100.42 2d8m s GLY 81 Ca 0.00 -1.14 -0.24 0.00 0.00 0.00 0.00 44.72 43.34 2d8m s GLY 81 CO 0.00 -1.11 1.11 -1.60 0.00 0.00 0.00 173.10 171.51 2d8m s ARG 82 N -4.14 3.19 -0.43 2.90 6.06 -1.03 -4.76 118.95 120.73 2d8m s ARG 82 Ca 0.38 -0.67 -0.22 0.00 -2.50 0.00 0.00 55.73 52.72 2d8m s ARG 82 Cb -0.09 -4.30 0.02 0.00 0.06 0.00 0.00 34.95 30.64 2d8m s ARG 82 CO 0.32 -1.96 0.74 0.42 -2.50 0.00 0.00 175.30 172.32 2d8m s ILE 83 N 4.68 4.72 0.11 4.11 1.01 -1.26 -1.12 121.20 133.44 2d8m s ILE 83 Ca 0.29 0.40 0.07 0.00 0.00 0.00 0.00 60.65 61.40 2d8m s ILE 83 Cb -0.12 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 2d8m s ILE 83 CO 0.10 -0.64 -0.17 0.68 0.00 0.00 0.00 174.94 174.92 2d8m s VAL 84 N 3.12 1.48 0.52 2.92 -7.23 -1.11 -0.50 120.40 119.60 2d8m s VAL 84 Ca 0.28 -1.62 -0.19 0.00 -1.81 0.00 0.00 61.98 58.64 2d8m s VAL 84 Cb -0.13 -1.50 -0.07 0.00 0.56 0.00 0.00 36.38 35.24 2d8m s VAL 84 CO 0.21 -0.26 1.07 -0.13 -0.31 0.00 0.00 175.10 175.67 2d8m s ARG 85 N -2.28 3.60 0.58 4.82 0.52 -1.08 -3.15 118.95 121.96 2d8m s ARG 85 Ca 0.07 1.40 0.30 0.00 -0.52 0.00 0.00 55.73 56.98 2d8m s ARG 85 Cb -0.08 -2.06 1.43 0.00 0.52 0.00 0.00 34.95 34.76 2d8m s ARG 85 CO 0.04 -0.60 1.83 1.57 0.02 0.00 0.00 175.30 178.16 2d8m h LYS 86 N 1.29 0.00 -0.85 3.54 2.10 -1.87 -1.01 116.57 119.77 2d8m h LYS 86 Ca -0.49 0.00 0.22 0.00 -2.00 0.00 0.00 60.65 58.38 2d8m h LYS 86 Cb 1.23 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.43 2d8m h LYS 86 CO 0.58 0.00 0.24 0.93 -2.00 0.00 0.00 179.45 179.20 2d8m h GLU 87 N 0.00 0.24 -0.75 0.07 4.39 -1.94 0.12 114.58 116.72 2d8m h GLU 87 Ca 0.29 -0.01 0.17 0.00 0.34 0.00 0.00 59.36 60.15 2d8m h GLU 87 Cb 1.49 -0.05 -0.13 0.00 -0.10 0.00 0.00 28.75 29.96 2d8m h GLU 87 CO -0.00 0.16 0.03 2.35 -1.16 0.00 0.00 179.01 180.38 2d8m h TRP 88 N 0.24 -0.00 0.49 4.33 7.01 -1.53 0.17 115.95 126.66 2d8m h TRP 88 Ca 0.52 0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.55 2d8m h TRP 88 Cb 1.02 0.12 0.00 0.00 -2.10 0.00 0.00 29.16 28.20 2d8m h TRP 88 CO -0.25 -0.22 -0.24 0.28 -2.79 0.00 0.00 178.44 175.22 2d8m h VAL 89 N 0.12 0.15 -0.85 2.65 2.07 -0.97 -0.90 116.25 118.51 2d8m h VAL 89 Ca 0.41 -0.53 0.21 0.00 0.82 0.00 0.00 66.70 67.61 2d8m h VAL 89 Cb 0.72 0.23 -0.15 0.00 -1.52 0.00 0.00 31.29 30.57 2d8m h VAL 89 CO -0.64 0.03 0.01 -0.07 0.02 0.00 0.00 177.57 176.92 2d8m h LEU 90 N -1.12 -0.41 0.10 2.57 3.38 -0.89 0.40 115.31 119.34 2d8m h LEU 90 Ca -0.07 0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2d8m h LEU 90 Cb 0.55 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2d8m h LEU 90 CO 0.11 -0.24 -0.05 0.44 0.09 0.00 0.00 178.44 178.79 2d8m h ASP 91 N 0.07 -0.12 -0.59 -0.43 3.32 -0.72 0.10 116.42 118.06 2d8m h ASP 91 Ca 0.48 -0.30 0.11 0.00 0.02 0.00 0.00 57.03 57.35 2d8m h ASP 91 Cb 0.91 0.03 -0.11 0.00 0.22 0.00 0.00 39.33 40.37 2d8m h ASP 91 CO -0.77 0.24 -0.23 0.00 -1.72 0.00 0.00 179.24 176.77 2d8m h HIS 93 N -0.08 -0.18 -0.74 0.00 -0.00 -1.02 0.84 115.15 113.97 2d8m h HIS 93 Ca 0.27 -0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.72 2d8m h HIS 93 Cb 0.50 0.06 -0.11 0.00 -0.00 0.00 0.00 27.41 27.86 2d8m h HIS 93 CO -0.55 0.15 -0.50 -0.09 -0.00 0.00 0.00 177.93 176.94 2d8m h ARG 94 N -0.53 -0.15 0.00 5.26 1.12 0.03 0.41 114.38 120.52 2d8m h ARG 94 Ca -0.02 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 2d8m h ARG 94 Cb 0.41 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.41 2d8m h ARG 94 CO 0.03 -0.10 -0.19 -1.33 -3.11 0.00 0.00 179.97 175.27 2d8m n MET 95 N -5.36 0.09 -3.72 0.20 2.81 0.51 -4.94 117.12 106.71 2d8m n MET 95 Ca 0.02 0.05 -0.24 0.00 -1.81 0.00 0.00 57.70 55.72 2d8m n MET 95 Cb 0.33 -1.59 0.05 0.00 -0.71 0.00 0.00 33.22 31.30 2d8m n MET 95 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2d8m n ARG 96 N -1.73 -5.93 -3.76 0.03 1.74 0.28 -4.98 116.66 102.30 2d8m n ARG 96 Ca 0.06 0.68 -0.11 0.00 -0.77 0.00 0.00 57.85 57.71 2d8m n ARG 96 Cb 0.37 -5.51 -0.07 0.00 -1.02 0.00 0.00 32.46 26.23 2d8m n ARG 96 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2d8m s ARG 97 N -6.19 0.83 -0.02 5.56 1.70 -0.45 -4.88 118.95 115.50 2d8m s ARG 97 Ca 0.35 -0.56 -0.30 0.00 -0.47 0.00 0.00 55.73 54.75 2d8m s ARG 97 Cb -0.17 0.36 -0.05 0.00 -0.57 0.00 0.00 34.95 34.51 2d8m s ARG 97 CO 0.79 -0.27 1.48 0.50 -1.08 0.00 0.00 175.30 176.72 2d8m s ARG 98 N -2.75 4.24 0.11 3.89 3.52 -1.26 -4.52 118.95 122.18 2d8m s ARG 98 Ca -0.04 2.04 0.07 0.00 -0.13 0.00 0.00 55.73 57.67 2d8m s ARG 98 Cb -0.00 -3.69 -0.04 0.00 -1.56 0.00 0.00 34.95 29.66 2d8m s ARG 98 CO -0.05 -0.67 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.16 2d8m s LEU 99 N 2.91 3.04 -0.30 -0.88 1.43 -1.26 -5.08 118.68 118.53 2d8m s LEU 99 Ca 0.66 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 53.08 2d8m s LEU 99 Cb -0.32 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 2d8m s LEU 99 CO 0.27 0.17 1.67 -2.16 0.23 0.00 0.00 176.35 176.53 2d8m s PRO 100 N -2.25 3.54 0.51 1.29 0.04 -1.26 -4.87 135.00 131.99 2d8m s PRO 100 Ca 0.22 1.43 0.19 0.00 0.04 0.00 0.00 61.00 62.87 2d8m s PRO 100 Cb -0.11 -4.11 1.28 0.00 0.04 0.00 0.00 34.50 31.60 2d8m s PRO 100 CO 0.14 -1.60 2.10 0.66 0.04 0.00 0.00 177.00 178.34 2d8m h SER 101 N 11.73 0.00 -0.98 6.66 4.64 -1.98 -2.26 113.55 131.37 2d8m h SER 101 Ca -0.33 0.00 0.25 0.00 -0.47 0.00 0.00 61.79 61.24 2d8m h SER 101 Cb 1.15 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.17 2d8m h SER 101 CO 1.03 0.08 0.66 -0.61 -0.87 0.00 0.00 176.83 177.12 2d8m h GLN 102 N 0.00 0.28 0.00 4.77 4.15 -1.96 0.73 115.11 123.08 2d8m h GLN 102 Ca -0.00 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 2d8m h GLN 102 Cb 0.15 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 2d8m h GLN 102 CO 0.01 0.19 -0.40 0.00 -1.93 0.00 0.00 178.83 176.70 2d8m h ARG 103 N 0.29 0.00 -0.70 1.69 3.08 -1.81 -3.17 114.38 113.76 2d8m h ARG 103 Ca 0.52 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 60.16 2d8m h ARG 103 Cb 1.50 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 31.31 2d8m h ARG 103 CO -0.17 0.40 0.23 0.66 -1.07 0.00 0.00 179.97 180.02 2d8m n TYR 104 N -3.32 2.23 -2.79 3.04 4.02 0.24 -4.99 117.16 115.59 2d8m n TYR 104 Ca 0.01 -2.00 -0.42 0.00 -0.01 0.00 0.00 57.90 55.49 2d8m n TYR 104 Cb 0.61 -0.78 -0.03 0.00 -0.02 0.00 0.00 39.34 39.12 2d8m n TYR 104 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2d8m s LEU 105 N -3.40 4.27 -0.14 7.72 1.43 -0.62 -2.64 118.68 125.30 2d8m s LEU 105 Ca 0.53 1.43 -0.18 0.00 -1.03 0.00 0.00 54.13 54.88 2d8m s LEU 105 Cb 0.45 -3.41 -0.15 0.00 0.03 0.00 0.00 46.19 43.10 2d8m s LEU 105 CO 0.03 -0.33 0.39 0.24 0.23 0.00 0.00 176.35 176.91 2d8m h MET 106 N 7.02 0.00 -3.93 1.70 2.86 -1.14 -3.48 114.93 117.97 2d8m h MET 106 Ca -0.35 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 56.99 2d8m h MET 106 Cb 1.17 0.00 -0.30 0.00 0.06 0.00 0.00 31.60 32.53 2d8m h MET 106 CO 0.81 0.61 -0.74 0.00 1.06 0.00 0.00 176.91 178.65 2d8m s ALA 107 N -2.38 0.24 0.00 6.32 0.00 -1.25 -5.08 121.76 119.61 2d8m s ALA 107 Ca -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.80 2d8m s ALA 107 Cb -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.98 2d8m s ALA 107 CO 0.43 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.61 2d8m n GLY 108 N 3.36 4.31 0.00 0.00 0.00 -1.26 -4.65 105.19 106.95 2d8m n GLY 108 Ca -0.17 -1.46 0.07 0.00 0.00 0.00 0.00 46.02 44.46 2d8m n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8m n PRO 109 N -1.79 0.13 0.00 1.61 -0.04 -1.26 -4.97 135.00 128.68 2d8m n PRO 109 Ca 0.00 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2d8m n PRO 109 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2d8m n PRO 109 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d8m n GLY 110 N -0.03 0.42 2.70 0.55 0.00 -1.26 -5.03 105.19 102.53 2d8m n GLY 110 Ca 0.06 -1.13 -0.21 0.00 0.00 0.00 0.00 46.02 44.73 2d8m n GLY 110 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8m s SER 111 N -4.00 1.35 -0.16 1.61 1.04 -1.26 -5.03 113.70 107.24 2d8m s SER 111 Ca 0.00 -0.01 -0.11 0.00 0.48 0.00 0.00 55.95 56.32 2d8m s SER 111 Cb 0.00 -0.24 -0.07 0.00 0.10 0.00 0.00 66.02 65.81 2d8m s SER 111 CO 0.00 -0.24 -0.25 -0.24 0.98 0.00 0.00 173.24 173.49 2d8m n SER 112 N 5.25 1.46 -2.54 7.02 2.88 -1.26 -4.76 113.62 121.67 2d8m n SER 112 Ca -0.04 0.25 -0.28 0.00 -1.33 0.00 0.00 58.87 57.46 2d8m n SER 112 Cb 0.50 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2d8m n SER 112 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2d8m n SER 113 N -3.96 4.89 -1.45 -3.46 2.88 -1.26 -4.84 113.62 106.42 2d8m n SER 113 Ca -0.30 -3.73 -0.06 0.00 -1.33 0.00 0.00 58.87 53.46 2d8m n SER 113 Cb 0.65 -0.51 0.03 0.00 -0.75 0.00 0.00 64.21 63.62 2d8m n SER 113 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2d8m n GLU 114 N -0.47 1.29 -4.58 -1.46 0.28 -1.26 -4.84 120.64 109.59 2d8m n GLU 114 Ca 0.39 -0.62 -0.27 0.00 -0.16 0.00 0.00 57.16 56.51 2d8m n GLU 114 Cb 0.61 -1.24 -0.10 0.00 1.43 0.00 0.00 31.44 32.14 2d8m n GLU 114 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2d8m s GLU 115 N -0.70 1.90 -0.28 3.44 2.02 -1.26 -5.13 118.70 118.69 2d8m s GLU 115 Ca 0.12 -2.09 -0.04 0.00 0.02 0.00 0.00 54.97 52.98 2d8m s GLU 115 Cb 0.10 -1.35 0.02 0.00 0.10 0.00 0.00 34.13 33.00 2d8m s GLU 115 CO 0.01 -0.15 0.01 0.16 0.02 0.00 0.00 175.26 175.31 2d8m s ASP 116 N -3.66 4.73 -0.08 -0.19 1.47 -1.26 -4.98 116.67 112.71 2d8m s ASP 116 Ca 0.32 -0.86 -0.17 0.00 1.18 0.00 0.00 52.55 53.01 2d8m s ASP 116 Cb 0.08 -1.76 -0.29 0.00 -0.34 0.00 0.00 42.92 40.61 2d8m s ASP 116 CO 0.15 -0.18 0.66 1.05 0.68 0.00 0.00 175.17 177.54 2d8m h GLU 117 N 8.10 0.28 -0.55 2.11 4.11 -2.00 -3.47 114.58 123.17 2d8m h GLU 117 Ca -0.30 -0.48 0.20 0.00 0.07 0.00 0.00 59.36 58.84 2d8m h GLU 117 Cb 1.11 0.18 -0.21 0.00 0.50 0.00 0.00 28.75 30.33 2d8m h GLU 117 CO 0.58 1.23 0.04 0.00 0.07 0.00 0.00 179.01 180.93 2d8m s ALA 118 N -2.48 -3.09 0.21 1.06 0.00 -1.26 -5.16 121.76 111.03 2d8m s ALA 118 Ca -0.18 1.58 -0.11 0.00 0.00 0.00 0.00 51.96 53.26 2d8m s ALA 118 Cb 0.04 -2.38 -0.07 0.00 0.00 0.00 0.00 23.12 20.70 2d8m s ALA 118 CO 0.80 -1.39 0.54 0.45 0.00 0.00 0.00 175.76 176.16 2d8m s SER 119 N 2.89 6.67 0.56 0.00 0.15 -1.26 -5.10 113.70 117.60 2d8m s SER 119 Ca 0.04 0.94 0.04 0.00 0.70 0.00 0.00 55.95 57.67 2d8m s SER 119 Cb -0.11 -2.24 0.04 0.00 -1.71 0.00 0.00 66.02 62.00 2d8m s SER 119 CO -0.14 -0.03 0.31 -2.28 1.20 0.00 0.00 173.24 172.30 2d8m s HIS 120 N -1.73 1.53 -0.46 3.44 2.46 -1.26 -5.10 115.29 114.17 2d8m s HIS 120 Ca 0.45 -0.92 -0.12 0.00 0.47 0.00 0.00 55.06 54.94 2d8m s HIS 120 Cb -0.12 -1.80 0.09 0.00 -0.13 0.00 0.00 32.58 30.62 2d8m s HIS 120 CO 0.21 -0.36 0.35 0.45 -2.47 0.00 0.00 174.74 172.92 2d8m s SER 121 N -4.21 5.87 0.00 9.88 0.15 -1.26 -5.00 113.70 119.13 2d8m s SER 121 Ca 0.24 -1.60 0.00 0.00 0.70 0.00 0.00 55.95 55.29 2d8m s SER 121 Cb -0.02 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 2d8m s SER 121 CO 0.15 -0.65 0.16 0.61 1.20 0.00 0.00 173.24 174.71 2d8m n GLY 122 N 5.04 -0.83 0.00 9.45 0.00 -1.26 -5.04 105.19 112.55 2d8m n GLY 122 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2d8m n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d8m n GLY 123 N 0.98 0.75 0.33 -0.02 0.00 -1.26 -5.05 105.19 100.92 2d8m n GLY 123 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2d8m n GLY 123 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2d8m h SER 124 N 0.00 -1.04 -2.98 1.61 4.64 -2.04 -3.48 113.55 110.26 2d8m h SER 124 Ca 0.00 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2d8m h SER 124 Cb 0.00 0.50 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2d8m h SER 124 CO 0.00 -0.31 0.00 0.61 -0.87 0.00 0.00 176.83 176.26 2d8m n GLY 125 N -1.42 3.78 3.57 -0.77 0.00 -1.26 -5.02 105.19 104.08 2d8m n GLY 125 Ca 0.01 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 2d8m n GLY 125 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8m s PRO 126 N -4.37 2.88 -0.79 1.61 0.04 -1.26 -4.88 135.00 128.22 2d8m s PRO 126 Ca 0.00 0.83 -0.04 0.00 0.04 0.00 0.00 61.00 61.83 2d8m s PRO 126 Cb 0.00 -4.31 0.11 0.00 0.04 0.00 0.00 34.50 30.34 2d8m s PRO 126 CO 0.00 -2.42 2.55 0.45 0.04 0.00 0.00 177.00 177.62 2d8m n SER 127 N 11.82 7.11 -3.99 6.66 2.88 -1.26 -4.74 113.62 132.10 2d8m n SER 127 Ca 0.21 -3.25 -0.29 0.00 -1.33 0.00 0.00 58.87 54.20 2d8m n SER 127 Cb 0.50 -1.26 -0.00 0.00 -0.75 0.00 0.00 64.21 62.70 2d8m n SER 127 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2d8m n SER 128 N 1.01 -2.53 -0.58 -3.46 7.64 -1.26 -5.33 113.62 109.11 2d8m n SER 128 Ca 0.54 -0.92 0.14 0.00 1.01 0.00 0.00 58.87 59.63 2d8m n SER 128 Cb 0.42 -3.33 0.43 0.00 -1.01 0.00 0.00 64.21 60.72 2d8m n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64