#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8m s SER 2 N 0.00 -0.70 0.01 1.61 0.01 -1.26 -5.16 113.70 108.21 2d8m s SER 2 Ca 0.00 1.24 0.03 0.00 1.31 0.00 0.00 55.95 58.53 2d8m s SER 2 Cb 0.00 1.50 -0.01 0.00 0.21 0.00 0.00 66.02 67.72 2d8m s SER 2 CO 0.00 -0.22 -0.10 -0.44 0.41 0.00 0.00 173.24 172.89 2d8m s SER 3 N 2.24 1.14 0.00 2.44 0.01 -1.26 -5.09 113.70 113.18 2d8m s SER 3 Ca -0.06 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2d8m s SER 3 Cb -0.10 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2d8m s SER 3 CO -0.16 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.15 2d8m n GLY 4 N 2.45 -0.46 3.40 3.44 0.00 -1.26 -4.99 105.19 107.77 2d8m n GLY 4 Ca -0.16 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 2d8m n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d8m n SER 5 N -0.62 -2.19 -3.86 1.61 7.64 -1.26 -5.03 113.62 109.92 2d8m n SER 5 Ca 0.00 0.36 -0.11 0.00 1.01 0.00 0.00 58.87 60.13 2d8m n SER 5 Cb 0.00 -1.18 -0.10 0.00 -1.01 0.00 0.00 64.21 61.92 2d8m n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d8m s SER 6 N -1.86 -0.02 0.00 6.43 0.15 -1.26 -5.17 113.70 111.97 2d8m s SER 6 Ca 0.57 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.13 2d8m s SER 6 Cb -0.23 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2d8m s SER 6 CO 0.67 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.41 2d8m n GLY 7 N 1.75 3.87 3.78 9.45 0.00 -1.26 -5.10 105.19 117.68 2d8m n GLY 7 Ca -0.21 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.46 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 2.54 4.55 0.01 1.61 -1.05 -1.26 -5.00 118.70 120.11 2d8m s GLU 8 Ca 0.00 1.39 -0.30 0.00 -0.15 0.00 0.00 54.97 55.91 2d8m s GLU 8 Cb 0.00 -2.82 -0.06 0.00 -0.44 0.00 0.00 34.13 30.81 2d8m s GLU 8 CO 0.00 0.24 1.44 -1.25 0.95 0.00 0.00 175.26 176.64 2d8m s PRO 9 N -2.01 4.27 -0.58 -4.83 0.04 -1.26 -4.94 135.00 125.69 2d8m s PRO 9 Ca 0.50 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.59 2d8m s PRO 9 Cb -0.20 -3.56 0.39 0.00 0.04 0.00 0.00 34.50 31.16 2d8m s PRO 9 CO 0.26 -0.59 1.33 2.89 0.04 0.00 0.00 177.00 180.93 2d8m n ARG 10 N 5.35 3.35 -3.29 4.56 0.00 -1.26 -5.04 116.66 120.32 2d8m n ARG 10 Ca 0.13 -4.34 -0.39 0.00 -0.00 0.00 0.00 57.85 53.26 2d8m n ARG 10 Cb 0.43 -2.26 -0.06 0.00 -0.00 0.00 0.00 32.46 30.57 2d8m n ARG 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2d8m s ARG 11 N -3.69 4.19 1.02 2.89 1.04 -1.26 -5.08 118.95 118.06 2d8m s ARG 11 Ca 0.49 0.70 -0.13 0.00 -1.04 0.00 0.00 55.73 55.75 2d8m s ARG 11 Cb 0.39 -3.25 0.20 0.00 -2.04 0.00 0.00 34.95 30.24 2d8m s ARG 11 CO -0.23 0.60 1.09 -1.25 -0.04 0.00 0.00 175.30 175.48 2d8m s PRO 12 N -0.97 0.25 0.35 3.89 0.04 -1.26 -4.92 135.00 132.39 2d8m s PRO 12 Ca 0.29 0.46 0.09 0.00 0.04 0.00 0.00 61.00 61.87 2d8m s PRO 12 Cb -0.19 -1.72 0.81 0.00 0.04 0.00 0.00 34.50 33.44 2d8m s PRO 12 CO 0.18 -2.84 1.87 0.00 0.04 0.00 0.00 177.00 176.25 2d8m h ARG 13 N -1.97 0.68 -2.54 4.56 3.08 -2.05 -3.42 114.38 112.73 2d8m h ARG 13 Ca -0.55 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.36 2d8m h ARG 13 Cb 1.33 -0.15 -0.23 0.00 0.08 0.00 0.00 29.97 30.99 2d8m h ARG 13 CO 0.57 0.45 -0.15 0.00 -1.07 0.00 0.00 179.97 179.77 2d8m s ALA 14 N -5.69 -1.23 0.00 0.04 0.00 -1.26 -5.12 121.76 108.50 2d8m s ALA 14 Ca -0.10 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.31 2d8m s ALA 14 Cb 0.22 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.49 2d8m s ALA 14 CO 0.79 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.72 2d8m n GLY 15 N 3.04 5.29 0.00 0.00 0.00 -1.26 -5.00 105.19 107.25 2d8m n GLY 15 Ca -0.15 -1.35 0.06 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 0.49 -0.01 1.61 -0.04 -1.26 -3.03 135.00 132.76 2d8m n PRO 16 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 2d8m n PRO 16 Cb 0.00 -1.37 -0.12 0.00 -0.04 0.00 0.00 33.50 31.97 2d8m n PRO 16 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2d8m h GLU 17 N 0.00 0.27 0.00 0.54 4.11 -1.94 -0.84 114.58 116.72 2d8m h GLU 17 Ca 0.00 -0.31 -0.11 0.00 0.07 0.00 0.00 59.36 59.01 2d8m h GLU 17 Cb 0.00 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2d8m h GLU 17 CO 0.00 1.02 -0.51 1.49 0.07 0.00 0.00 179.01 181.08 2d8m h GLU 18 N -0.34 0.00 0.03 1.06 4.81 -1.92 -3.29 114.58 114.92 2d8m h GLU 18 Ca -0.06 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 2d8m h GLU 18 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2d8m h GLU 18 CO 0.08 0.51 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.63 2d8m h LEU 19 N 0.00 0.11 -1.33 1.64 -0.00 -1.63 -3.26 115.31 110.84 2d8m h LEU 19 Ca -0.01 -0.97 0.00 0.00 -0.00 0.00 0.00 57.88 56.91 2d8m h LEU 19 Cb 1.27 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 2d8m h LEU 19 CO 0.07 1.07 0.25 1.23 -0.00 0.00 0.00 178.44 181.05 2d8m h GLY 20 N -0.83 0.00 1.09 0.83 0.00 0.83 0.56 103.07 105.56 2d8m h GLY 20 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 2d8m h GLY 20 CO 0.03 0.00 -1.08 0.50 0.00 0.00 0.00 176.54 176.00 2d8m h LYS 21 N 0.00 0.00 0.73 4.80 1.79 -1.62 -3.05 116.57 119.22 2d8m h LYS 21 Ca 0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 2d8m h LYS 21 Cb 0.50 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.16 2d8m h LYS 21 CO 0.00 0.13 -0.35 0.82 -1.08 0.00 0.00 179.45 178.97 2d8m h ILE 22 N 0.00 0.19 -0.88 1.86 2.04 0.09 -3.26 117.51 117.54 2d8m h ILE 22 Ca -0.06 -0.18 -0.62 0.00 1.00 0.00 0.00 64.86 65.00 2d8m h ILE 22 Cb 1.23 0.23 -0.35 0.00 -0.74 0.00 0.00 36.82 37.18 2d8m h ILE 22 CO 0.02 0.01 0.08 0.18 0.00 0.00 0.00 178.15 178.45 2d8m n LEU 23 N -5.46 6.41 -4.68 1.44 4.77 0.61 -4.88 117.00 115.21 2d8m n LEU 23 Ca -0.13 -4.50 -0.42 0.00 -0.03 0.00 0.00 56.01 50.92 2d8m n LEU 23 Cb 0.40 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 2d8m n LEU 23 CO 0.35 1.77 1.51 -1.58 -1.33 0.00 0.00 177.39 178.10 2d8m s GLN 24 N -3.72 4.13 -0.35 3.23 0.74 -1.15 -1.84 119.66 120.70 2d8m s GLN 24 Ca 0.58 2.62 -0.00 0.00 0.05 0.00 0.00 55.36 58.61 2d8m s GLN 24 Cb 0.46 -3.72 0.00 0.00 1.10 0.00 0.00 33.01 30.86 2d8m s GLN 24 CO 0.01 -0.87 0.06 0.41 -0.55 0.00 0.00 175.29 174.35 2d8m n GLY 25 N 4.32 0.29 3.49 2.59 0.00 -1.26 -5.05 105.19 109.57 2d8m n GLY 25 Ca 0.18 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.41 2.84 -0.14 1.61 1.01 -0.77 -5.04 120.40 117.50 2d8m s VAL 26 Ca 0.03 -1.53 -0.01 0.00 0.00 0.00 0.00 61.98 60.47 2d8m s VAL 26 Cb -0.01 -2.31 0.04 0.00 0.00 0.00 0.00 36.38 34.10 2d8m s VAL 26 CO 0.03 0.08 -0.05 -0.69 0.00 0.00 0.00 175.10 174.48 2d8m s VAL 27 N -1.19 0.94 -0.06 2.92 1.01 -1.26 -0.49 120.40 122.26 2d8m s VAL 27 Ca 0.18 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.76 2d8m s VAL 27 Cb -0.10 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2d8m s VAL 27 CO 0.10 0.20 -0.06 0.68 0.00 0.00 0.00 175.10 176.02 2d8m s VAL 28 N 1.72 3.77 -0.15 2.92 -7.23 0.12 -1.97 120.40 119.58 2d8m s VAL 28 Ca 0.03 -0.49 0.01 0.00 -1.81 0.00 0.00 61.98 59.72 2d8m s VAL 28 Cb -0.14 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.25 2d8m s VAL 28 CO -0.08 0.57 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.42 2d8m s VAL 29 N -0.84 2.45 -0.09 1.32 1.01 -1.16 -2.42 120.40 120.67 2d8m s VAL 29 Ca 0.13 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 60.99 2d8m s VAL 29 Cb -0.11 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 2d8m s VAL 29 CO 0.02 0.53 0.91 -0.76 0.00 0.00 0.00 175.10 175.80 2d8m s LEU 30 N 0.80 4.27 -0.26 3.92 1.43 -1.24 -2.01 118.68 125.59 2d8m s LEU 30 Ca -0.06 1.43 -0.01 0.00 -1.03 0.00 0.00 54.13 54.45 2d8m s LEU 30 Cb -0.15 -3.41 0.15 0.00 0.03 0.00 0.00 46.19 42.81 2d8m s LEU 30 CO -0.00 -0.33 0.41 -0.55 0.23 0.00 0.00 176.35 176.10 2d8m s SER 31 N 1.04 0.10 0.00 2.29 0.15 -1.22 -4.86 113.70 111.20 2d8m s SER 31 Ca 0.45 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.25 2d8m s SER 31 Cb -0.18 1.23 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 2d8m s SER 31 CO 0.19 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2d8m n GLY 32 N 5.37 0.99 3.39 9.45 0.00 -1.26 -3.81 105.19 119.32 2d8m n GLY 32 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.98 1.84 -0.05 1.61 0.08 -1.26 -4.44 117.98 113.78 2d8m s PHE 33 Ca 0.00 -0.69 -0.02 0.00 0.12 0.00 0.00 56.93 56.34 2d8m s PHE 33 Cb 0.00 -1.01 0.04 0.00 -0.57 0.00 0.00 43.02 41.48 2d8m s PHE 33 CO 0.00 0.26 0.10 1.14 -0.10 0.00 0.00 175.22 176.62 2d8m s GLN 34 N -3.72 -0.01 0.95 0.44 -2.07 -1.26 -4.91 119.66 109.08 2d8m s GLN 34 Ca 0.27 0.39 -0.12 0.00 -1.82 0.00 0.00 55.36 54.09 2d8m s GLN 34 Cb 0.03 -0.33 0.09 0.00 -1.09 0.00 0.00 33.01 31.71 2d8m s GLN 34 CO 0.10 -0.26 0.69 0.27 -1.32 0.00 0.00 175.29 174.77 2d8m n ASN 35 N 4.88 -1.18 0.03 12.60 6.94 -1.26 -2.17 115.26 135.10 2d8m n ASN 35 Ca -0.13 0.33 0.08 0.00 -0.02 0.00 0.00 54.58 54.84 2d8m n ASN 35 Cb 0.50 -1.30 0.34 0.00 -2.36 0.00 0.00 39.78 36.96 2d8m n ASN 35 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 2d8m n PRO 36 N -2.79 0.04 -0.37 -0.53 -0.04 -1.26 -4.79 135.00 125.26 2d8m n PRO 36 Ca 0.08 0.29 -0.01 0.00 -0.04 0.00 0.00 63.50 63.83 2d8m n PRO 36 Cb 0.53 -1.58 0.04 0.00 -0.04 0.00 0.00 33.50 32.45 2d8m n PRO 36 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2d8m n PHE 37 N -1.66 0.03 -0.03 0.54 7.35 -0.92 -1.43 117.46 121.33 2d8m n PHE 37 Ca 0.03 1.18 -0.02 0.00 -0.76 0.00 0.00 57.45 57.88 2d8m n PHE 37 Cb 0.18 -0.86 -0.02 0.00 0.35 0.00 0.00 39.48 39.14 2d8m n PHE 37 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2d8m h ARG 38 N 0.00 -0.04 -0.40 -4.13 3.08 -1.87 0.19 114.38 111.21 2d8m h ARG 38 Ca 0.33 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.43 2d8m h ARG 38 Cb 0.57 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.57 2d8m h ARG 38 CO -0.95 -0.03 -0.42 0.77 -1.07 0.00 0.00 179.97 178.27 2d8m h SER 39 N -0.04 -1.44 -0.80 7.04 0.02 -1.61 0.84 113.55 117.56 2d8m h SER 39 Ca 0.01 0.20 0.16 0.00 -0.84 0.00 0.00 61.79 61.32 2d8m h SER 39 Cb 0.08 0.60 -0.15 0.00 0.14 0.00 0.00 62.40 63.07 2d8m h SER 39 CO -0.11 -0.27 -0.24 -0.08 -1.14 0.00 0.00 176.83 174.99 2d8m h GLU 40 N -0.23 -0.02 0.42 3.45 4.81 -0.94 -1.23 114.58 120.83 2d8m h GLU 40 Ca 0.07 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2d8m h GLU 40 Cb 0.41 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 2d8m h GLU 40 CO -0.50 -0.01 -0.27 1.25 -0.73 0.00 0.00 179.01 178.75 2d8m h LEU 41 N -0.02 -0.68 -0.89 1.64 5.85 0.94 -2.95 115.31 119.20 2d8m h LEU 41 Ca 0.37 0.04 0.13 0.00 0.84 0.00 0.00 57.88 59.26 2d8m h LEU 41 Cb 0.59 0.20 -0.14 0.00 0.37 0.00 0.00 40.66 41.68 2d8m h LEU 41 CO -0.84 -0.41 -0.37 -1.14 -0.34 0.00 0.00 178.44 175.35 2d8m n ARG 42 N -3.99 -0.23 -0.09 1.25 0.63 0.13 -1.08 116.66 113.29 2d8m n ARG 42 Ca -0.08 1.37 -0.05 0.00 -0.92 0.00 0.00 57.85 58.18 2d8m n ARG 42 Cb 0.27 -2.03 -0.04 0.00 0.45 0.00 0.00 32.46 31.11 2d8m n ARG 42 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2d8m h ASP 43 N 0.00 -0.70 -0.91 6.15 3.58 -1.14 0.25 116.42 123.65 2d8m h ASP 43 Ca 0.29 0.10 0.20 0.00 0.42 0.00 0.00 57.03 58.04 2d8m h ASP 43 Cb 0.51 0.29 -0.12 0.00 1.72 0.00 0.00 39.33 41.74 2d8m h ASP 43 CO -0.88 -0.12 0.45 0.11 -2.88 0.00 0.00 179.24 175.92 2d8m h LYS 44 N -0.09 0.49 -0.98 0.28 1.57 -0.94 0.17 116.57 117.08 2d8m h LYS 44 Ca 0.04 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2d8m h LYS 44 Cb 0.19 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 2d8m h LYS 44 CO -0.25 0.33 0.65 0.00 -0.57 0.00 0.00 179.45 179.60 2d8m h ALA 45 N 1.67 1.26 -0.44 3.86 0.00 0.54 -2.00 119.26 124.15 2d8m h ALA 45 Ca 0.55 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.35 2d8m h ALA 45 Cb 0.97 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2d8m h ALA 45 CO -0.47 0.61 0.07 -0.07 0.00 0.00 0.00 179.25 179.39 2d8m h LEU 46 N 1.31 0.64 -0.05 0.00 3.38 0.24 -2.60 115.31 118.22 2d8m h LEU 46 Ca 0.37 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.25 2d8m h LEU 46 Cb -0.11 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 2d8m h LEU 46 CO -0.09 0.66 -0.09 -0.33 0.09 0.00 0.00 178.44 178.68 2d8m h GLU 47 N 0.66 -0.13 0.00 1.13 4.39 -0.77 0.15 114.58 120.01 2d8m h GLU 47 Ca 0.14 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2d8m h GLU 47 Cb 0.30 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2d8m h GLU 47 CO 0.00 -0.09 0.02 1.28 -1.16 0.00 0.00 179.01 179.06 2d8m n LEU 48 N -5.22 0.22 0.00 1.33 4.77 -1.12 -0.34 117.00 116.64 2d8m n LEU 48 Ca -0.05 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 2d8m n LEU 48 Cb 0.15 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2d8m n LEU 48 CO 0.27 -0.67 0.00 0.61 -1.33 0.00 0.00 177.39 176.27 2d8m n GLY 49 N -1.41 0.71 3.86 -0.72 0.00 0.04 -0.28 105.19 107.39 2d8m n GLY 49 Ca -0.01 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 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 3.60 -0.14 4.61 0.00 -1.00 -4.15 121.76 122.69 2d8m s ALA 50 Ca 0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 51.96 51.53 2d8m s ALA 50 Cb 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 2d8m s ALA 50 CO 0.00 0.50 0.49 0.15 0.00 0.00 0.00 175.76 176.90 2d8m s LYS 51 N -2.32 4.31 -0.42 0.00 3.01 0.35 -4.23 119.74 120.44 2d8m s LYS 51 Ca 0.41 0.45 -0.16 0.00 -1.01 0.00 0.00 55.97 55.66 2d8m s LYS 51 Cb -0.13 -3.46 0.02 0.00 -1.01 0.00 0.00 37.83 33.25 2d8m s LYS 51 CO 0.20 0.09 0.38 -0.47 0.51 0.00 0.00 175.35 176.06 2d8m s TYR 52 N 0.85 3.20 -0.04 3.18 5.04 -1.25 0.15 117.35 128.48 2d8m s TYR 52 Ca 0.26 -0.48 -0.01 0.00 -2.44 0.00 0.00 57.07 54.39 2d8m s TYR 52 Cb -0.15 -2.78 -0.04 0.00 0.35 0.00 0.00 41.96 39.35 2d8m s TYR 52 CO 0.10 -0.66 0.04 1.03 -1.34 0.00 0.00 175.55 174.73 2d8m s ARG 53 N 1.94 3.01 0.38 4.97 1.81 -1.02 -5.00 118.95 125.05 2d8m s ARG 53 Ca 0.09 -0.45 0.28 0.00 -1.72 0.00 0.00 55.73 53.93 2d8m s ARG 53 Cb -0.18 -2.83 1.17 0.00 -0.45 0.00 0.00 34.95 32.66 2d8m s ARG 53 CO 0.12 0.67 1.83 -1.00 -0.68 0.00 0.00 175.30 176.25 2d8m h PRO 54 N 4.59 0.00 -3.77 3.54 0.13 -1.91 -3.30 132.00 131.27 2d8m h PRO 54 Ca -0.50 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 2d8m h PRO 54 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 2d8m h PRO 54 CO 0.58 0.00 -0.28 0.16 -0.23 0.00 0.00 178.00 178.23 2d8m s ASP 55 N -4.84 0.01 -0.49 1.44 1.47 -1.26 -4.90 116.67 108.09 2d8m s ASP 55 Ca 0.03 -0.73 -0.28 0.00 1.18 0.00 0.00 52.55 52.75 2d8m s ASP 55 Cb 0.09 0.43 -0.01 0.00 -0.34 0.00 0.00 42.92 43.09 2d8m s ASP 55 CO 0.45 -0.86 1.71 0.86 0.68 0.00 0.00 175.17 178.01 2d8m s TRP 56 N -3.92 1.90 0.66 2.11 -0.11 -1.26 -4.97 118.94 113.36 2d8m s TRP 56 Ca 0.12 0.66 -0.02 0.00 1.22 0.00 0.00 56.10 58.08 2d8m s TRP 56 Cb 0.03 -4.18 0.13 0.00 -1.50 0.00 0.00 33.47 27.95 2d8m s TRP 56 CO -0.04 -2.41 0.90 0.25 -4.62 0.00 0.00 176.95 171.03 2d8m n THR 57 N 7.19 0.00 1.86 5.86 -2.24 -1.26 -4.98 114.28 120.72 2d8m n THR 57 Ca 0.19 -1.33 0.14 0.00 -2.27 0.00 0.00 64.05 60.78 2d8m n THR 57 Cb 0.49 -1.01 0.77 0.00 -2.10 0.00 0.00 70.33 68.48 2d8m n THR 57 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2d8m n ARG 58 N -2.70 1.17 0.00 -0.78 1.74 -1.26 -3.08 116.66 111.74 2d8m n ARG 58 Ca 0.14 -0.24 0.05 0.00 -0.77 0.00 0.00 57.85 57.03 2d8m n ARG 58 Cb 0.52 -1.45 -0.05 0.00 -1.02 0.00 0.00 32.46 30.45 2d8m n ARG 58 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2d8m n ASP 59 N -0.67 0.48 -4.67 0.55 -0.08 -1.26 -5.01 116.55 105.89 2d8m n ASP 59 Ca 0.21 -0.74 -0.46 0.00 -1.51 0.00 0.00 54.79 52.29 2d8m n ASP 59 Cb 0.16 0.99 -0.04 0.00 2.34 0.00 0.00 41.12 44.57 2d8m n ASP 59 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2d8m n SER 60 N -1.21 3.06 -0.06 1.67 7.64 -1.18 -4.73 113.62 118.82 2d8m n SER 60 Ca 0.02 1.08 -0.06 0.00 1.01 0.00 0.00 58.87 60.92 2d8m n SER 60 Cb 0.15 -1.42 -0.08 0.00 -1.01 0.00 0.00 64.21 61.86 2d8m n SER 60 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2d8m n THR 61 N 3.43 0.74 -4.00 0.44 -2.24 -1.12 -4.87 114.28 106.67 2d8m n THR 61 Ca 0.17 -0.42 -0.12 0.00 -2.27 0.00 0.00 64.05 61.41 2d8m n THR 61 Cb 0.28 -0.78 -0.13 0.00 -2.10 0.00 0.00 70.33 67.61 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 -2.26 0.29 -0.18 4.78 3.76 -0.83 -2.31 115.29 118.53 2d8m s HIS 62 Ca -0.08 -0.25 -0.02 0.00 -0.15 0.00 0.00 55.06 54.56 2d8m s HIS 62 Cb 0.04 -0.19 -0.00 0.00 1.11 0.00 0.00 32.58 33.53 2d8m s HIS 62 CO 0.41 -0.07 -0.10 -1.17 -0.85 0.00 0.00 174.74 172.95 2d8m s LEU 63 N -0.71 2.66 -0.90 0.89 2.96 0.94 -2.97 118.68 121.55 2d8m s LEU 63 Ca -0.06 -0.44 -0.19 0.00 -0.22 0.00 0.00 54.13 53.22 2d8m s LEU 63 Cb -0.05 -1.64 0.12 0.00 0.50 0.00 0.00 46.19 45.12 2d8m s LEU 63 CO -0.00 0.04 1.12 -0.63 -1.32 0.00 0.00 176.35 175.55 2d8m s ILE 64 N 1.12 4.66 0.08 6.68 -1.09 -0.85 -1.11 121.20 130.69 2d8m s ILE 64 Ca 0.01 -1.43 -0.12 0.00 -2.23 0.00 0.00 60.65 56.88 2d8m s ILE 64 Cb -0.14 -4.78 -0.06 0.00 -1.58 0.00 0.00 42.46 35.90 2d8m s ILE 64 CO -0.03 -1.51 0.44 0.00 -1.23 0.00 0.00 174.94 172.61 2d8m h ALA 66 N 3.85 0.61 -1.93 0.00 0.00 -1.78 -2.38 119.26 117.63 2d8m h ALA 66 Ca -0.49 -1.32 -0.00 0.00 0.00 0.00 0.00 54.91 53.10 2d8m h ALA 66 Cb 1.20 0.36 -0.20 0.00 0.00 0.00 0.00 17.79 19.15 2d8m h ALA 66 CO 0.65 1.45 0.32 -0.59 0.00 0.00 0.00 179.25 181.09 2d8m s PHE 67 N -2.62 -0.54 1.03 0.00 -0.12 -1.26 -4.85 117.98 109.61 2d8m s PHE 67 Ca -0.05 0.88 -0.17 0.00 -0.05 0.00 0.00 56.93 57.53 2d8m s PHE 67 Cb 0.08 0.44 0.26 0.00 -0.63 0.00 0.00 43.02 43.17 2d8m s PHE 67 CO 0.82 -0.53 0.87 0.00 -0.05 0.00 0.00 175.22 176.32 2d8m n ALA 68 N 0.72 -3.01 -3.27 1.99 0.00 -1.26 -4.43 120.51 111.25 2d8m n ALA 68 Ca -0.16 -1.32 -0.15 0.00 0.00 0.00 0.00 53.44 51.81 2d8m n ALA 68 Cb 0.58 -0.10 0.08 0.00 0.00 0.00 0.00 19.45 20.01 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 -4.64 -2.81 -4.28 0.00 3.02 -1.26 -5.03 115.26 100.26 2d8m n ASN 69 Ca 0.12 -0.58 -0.18 0.00 -0.03 0.00 0.00 54.58 53.91 2d8m n ASN 69 Cb 0.48 -4.74 -0.11 0.00 -0.61 0.00 0.00 39.78 34.80 2d8m n ASN 69 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2d8m s THR 70 N -3.33 1.45 0.04 3.41 -4.23 -1.26 -5.03 115.64 106.67 2d8m s THR 70 Ca 0.08 -1.93 0.33 0.00 -1.18 0.00 0.00 61.69 58.98 2d8m s THR 70 Cb -0.01 -1.75 0.37 0.00 1.34 0.00 0.00 72.50 72.45 2d8m s THR 70 CO 0.67 -0.52 1.96 1.55 -0.54 0.00 0.00 174.62 177.74 2d8m h PRO 71 N 3.11 0.00 0.02 3.99 0.13 -1.96 -3.02 132.00 134.26 2d8m h PRO 71 Ca -0.39 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.40 2d8m h PRO 71 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 2d8m h PRO 71 CO 0.56 0.00 -2.09 1.17 -0.23 0.00 0.00 178.00 177.41 2d8m n LYS 72 N -2.96 0.67 0.31 0.86 3.00 -1.26 -3.72 118.16 115.06 2d8m n LYS 72 Ca 0.01 0.17 -0.17 0.00 -0.00 0.00 0.00 58.31 58.31 2d8m n LYS 72 Cb 0.28 -1.65 -0.09 0.00 0.00 0.00 0.00 35.03 33.58 2d8m n LYS 72 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 2d8m h TYR 73 N 0.01 -1.09 0.24 5.64 5.03 -1.90 -1.64 116.97 123.27 2d8m h TYR 73 Ca -0.44 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 60.86 2d8m h TYR 73 Cb 2.09 0.41 0.00 0.00 1.55 0.00 0.00 36.73 40.77 2d8m h TYR 73 CO 0.01 -0.58 -0.12 1.03 -1.32 0.00 0.00 178.16 177.18 2d8m h SER 74 N -0.92 -0.27 -0.69 -2.11 0.87 -1.77 -1.29 113.55 107.38 2d8m h SER 74 Ca -0.06 -0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.55 2d8m h SER 74 Cb 0.77 0.07 -0.11 0.00 -0.44 0.00 0.00 62.40 62.70 2d8m h SER 74 CO 0.01 -0.16 -0.53 -0.61 -0.53 0.00 0.00 176.83 175.01 2d8m h GLN 75 N -0.37 -0.19 0.00 2.24 5.75 -1.62 1.17 115.11 122.08 2d8m h GLN 75 Ca -0.03 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2d8m h GLN 75 Cb 0.28 0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.87 2d8m h GLN 75 CO 0.05 -0.13 0.00 0.28 -2.65 0.00 0.00 178.83 176.39 2d8m h VAL 76 N -0.20 0.00 -0.01 2.39 2.07 -1.24 -2.63 116.25 116.63 2d8m h VAL 76 Ca 0.14 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 2d8m h VAL 76 Cb 0.53 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2d8m h VAL 76 CO -0.76 0.00 -0.20 0.25 0.02 0.00 0.00 177.57 176.88 2d8m h LEU 77 N 0.00 0.19 -0.56 2.57 6.46 0.25 -2.38 115.31 121.85 2d8m h LEU 77 Ca 0.00 -0.75 -0.15 0.00 -0.12 0.00 0.00 57.88 56.86 2d8m h LEU 77 Cb 0.27 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 2d8m h LEU 77 CO 0.00 0.91 -0.50 1.23 -0.62 0.00 0.00 178.44 179.46 2d8m h GLY 78 N -0.51 0.63 0.54 3.75 0.00 -0.82 -3.20 103.07 103.45 2d8m h GLY 78 Ca -0.02 -0.69 0.06 0.00 0.00 0.00 0.00 47.33 46.68 2d8m h GLY 78 CO 0.04 0.62 0.16 1.41 0.00 0.00 0.00 176.54 178.77 2d8m h LEU 79 N 0.45 0.15 0.00 3.11 3.38 -1.57 -3.46 115.31 117.37 2d8m h LEU 79 Ca 0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2d8m h LEU 79 Cb 1.03 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2d8m h LEU 79 CO 0.10 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.35 2d8m n GLY 80 N -1.26 1.84 3.99 0.83 0.00 -1.20 -5.12 105.19 104.28 2d8m n GLY 80 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.86 1.81 -0.70 -0.02 0.00 -0.90 -5.05 107.32 100.60 2d8m s GLY 81 Ca 0.00 -1.47 -0.21 0.00 0.00 0.00 0.00 44.72 43.04 2d8m s GLY 81 CO 0.00 -1.27 0.94 -1.60 0.00 0.00 0.00 173.10 171.17 2d8m s ARG 82 N -4.46 3.20 -0.40 2.90 3.52 -0.98 -4.80 118.95 117.93 2d8m s ARG 82 Ca 0.53 -1.15 -0.25 0.00 -0.13 0.00 0.00 55.73 54.73 2d8m s ARG 82 Cb -0.10 -4.38 0.02 0.00 -1.56 0.00 0.00 34.95 28.93 2d8m s ARG 82 CO 0.35 -1.75 0.91 0.42 -0.81 0.00 0.00 175.30 174.42 2d8m s ILE 83 N 3.45 4.57 0.27 4.11 1.01 -1.26 -0.04 121.20 133.30 2d8m s ILE 83 Ca 0.22 1.00 0.06 0.00 0.00 0.00 0.00 60.65 61.93 2d8m s ILE 83 Cb -0.16 -4.35 -0.06 0.00 0.01 0.00 0.00 42.46 37.90 2d8m s ILE 83 CO 0.05 -0.63 -0.05 0.68 0.00 0.00 0.00 174.94 174.99 2d8m s VAL 84 N 3.52 1.59 0.68 2.92 -7.23 -0.26 -2.61 120.40 119.00 2d8m s VAL 84 Ca 0.37 -2.12 -0.08 0.00 -1.81 0.00 0.00 61.98 58.34 2d8m s VAL 84 Cb -0.11 -2.44 0.03 0.00 0.56 0.00 0.00 36.38 34.42 2d8m s VAL 84 CO 0.21 -0.30 1.02 -0.13 -0.31 0.00 0.00 175.10 175.58 2d8m s ARG 85 N -3.74 2.60 0.12 4.82 0.52 -1.24 -1.38 118.95 120.66 2d8m s ARG 85 Ca 0.29 0.08 -0.15 0.00 -0.52 0.00 0.00 55.73 55.43 2d8m s ARG 85 Cb 0.04 -2.14 -0.02 0.00 0.52 0.00 0.00 34.95 33.35 2d8m s ARG 85 CO 0.12 -1.04 1.61 1.57 0.02 0.00 0.00 175.30 177.57 2d8m h LYS 86 N -0.52 0.65 -1.57 3.54 2.10 -1.74 -2.72 116.57 116.30 2d8m h LYS 86 Ca -0.45 -0.17 0.46 0.00 -2.00 0.00 0.00 60.65 58.48 2d8m h LYS 86 Cb 1.28 -0.08 -0.06 0.00 -0.90 0.00 0.00 32.23 32.47 2d8m h LYS 86 CO 0.62 0.70 1.23 1.49 -2.00 0.00 0.00 179.45 181.50 2d8m h GLU 87 N 0.50 0.00 -0.40 0.07 4.57 -1.94 0.22 114.58 117.60 2d8m h GLU 87 Ca 0.12 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.38 2d8m h GLU 87 Cb 0.36 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.87 2d8m h GLU 87 CO 0.01 0.00 -0.17 2.35 -1.18 0.00 0.00 179.01 180.02 2d8m h TRP 88 N 0.00 -0.42 0.00 0.92 7.01 -1.87 0.17 115.95 121.77 2d8m h TRP 88 Ca 0.75 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.79 2d8m h TRP 88 Cb 3.21 0.25 0.00 0.00 -2.10 0.00 0.00 29.16 30.51 2d8m h TRP 88 CO 0.00 -0.25 -0.00 0.28 -2.79 0.00 0.00 178.44 175.68 2d8m h VAL 89 N -0.09 1.34 -0.04 2.65 2.07 -0.77 -1.01 116.25 120.40 2d8m h VAL 89 Ca 0.20 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.72 2d8m h VAL 89 Cb 0.39 2.04 -0.06 0.00 -1.52 0.00 0.00 31.29 32.14 2d8m h VAL 89 CO -0.46 0.26 -0.53 -0.07 0.02 0.00 0.00 177.57 176.79 2d8m h LEU 90 N -0.44 -1.64 0.76 2.57 3.38 -1.39 0.97 115.31 119.53 2d8m h LEU 90 Ca -0.00 0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 2d8m h LEU 90 Cb 0.44 0.63 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2d8m h LEU 90 CO 0.00 -0.51 -0.39 0.44 0.09 0.00 0.00 178.44 178.08 2d8m h ASP 91 N -0.64 -0.94 -0.84 -0.43 3.32 -0.75 -0.79 116.42 115.35 2d8m h ASP 91 Ca 0.02 0.04 0.12 0.00 0.02 0.00 0.00 57.03 57.23 2d8m h ASP 91 Cb 0.71 0.25 -0.13 0.00 0.22 0.00 0.00 39.33 40.37 2d8m h ASP 91 CO -0.38 -0.65 -0.43 0.00 -1.72 0.00 0.00 179.24 176.07 2d8m h HIS 93 N -0.08 -1.32 -0.99 0.00 -0.00 -0.72 1.61 115.15 113.65 2d8m h HIS 93 Ca 0.26 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.71 2d8m h HIS 93 Cb 0.55 0.48 -0.12 0.00 -0.00 0.00 0.00 27.41 28.32 2d8m h HIS 93 CO -0.83 -0.72 -0.58 -2.13 -0.00 0.00 0.00 177.93 173.66 2d8m n ARG 94 N -5.62 -0.44 0.05 5.26 3.00 -0.31 0.15 116.66 118.76 2d8m n ARG 94 Ca -0.14 1.49 0.13 0.00 -0.00 0.00 0.00 57.85 59.33 2d8m n ARG 94 Cb 0.50 -2.20 0.49 0.00 0.00 0.00 0.00 32.46 31.25 2d8m n ARG 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 2d8m n MET 95 N -5.24 0.11 -3.92 -0.14 2.81 0.39 -4.92 117.12 106.21 2d8m n MET 95 Ca 0.02 0.15 -0.27 0.00 -1.81 0.00 0.00 57.70 55.80 2d8m n MET 95 Cb 0.26 -1.65 -0.00 0.00 -0.71 0.00 0.00 33.22 31.12 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 -1.85 -4.07 -3.94 0.03 1.74 0.55 -4.96 116.66 104.16 2d8m n ARG 96 Ca 0.05 0.49 -0.09 0.00 -0.77 0.00 0.00 57.85 57.53 2d8m n ARG 96 Cb 0.34 -4.94 -0.07 0.00 -1.02 0.00 0.00 32.46 26.77 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 -6.47 1.12 -0.77 5.56 1.70 -0.81 -4.98 118.95 114.30 2d8m s ARG 97 Ca 0.22 -1.13 -0.27 0.00 -0.47 0.00 0.00 55.73 54.08 2d8m s ARG 97 Cb -0.11 0.38 0.03 0.00 -0.57 0.00 0.00 34.95 34.67 2d8m s ARG 97 CO 0.86 -0.41 1.31 0.50 -1.08 0.00 0.00 175.30 176.49 2d8m s ARG 98 N -3.95 3.21 0.44 3.89 3.52 -1.26 -4.64 118.95 120.16 2d8m s ARG 98 Ca 0.15 -0.31 -0.14 0.00 -0.13 0.00 0.00 55.73 55.31 2d8m s ARG 98 Cb 0.03 -4.31 -0.07 0.00 -1.56 0.00 0.00 34.95 29.04 2d8m s ARG 98 CO -0.02 -2.18 0.85 -0.51 -0.81 0.00 0.00 175.30 172.64 2d8m s LEU 99 N 5.76 3.79 -0.59 -0.88 1.43 -1.26 -4.98 118.68 121.95 2d8m s LEU 99 Ca 0.37 1.33 -0.27 0.00 -1.03 0.00 0.00 54.13 54.54 2d8m s LEU 99 Cb -0.07 -4.23 -0.02 0.00 0.03 0.00 0.00 46.19 41.90 2d8m s LEU 99 CO 0.13 -0.44 1.85 -2.16 0.23 0.00 0.00 176.35 175.95 2d8m s PRO 100 N -3.80 2.70 0.49 1.29 0.04 -1.26 -4.84 135.00 129.62 2d8m s PRO 100 Ca 0.55 0.67 0.16 0.00 0.04 0.00 0.00 61.00 62.43 2d8m s PRO 100 Cb -0.10 -4.37 1.20 0.00 0.04 0.00 0.00 34.50 31.27 2d8m s PRO 100 CO 0.29 -2.65 2.08 1.03 0.04 0.00 0.00 177.00 177.79 2d8m h SER 101 N 14.73 0.12 -1.20 6.66 0.87 -1.99 -1.74 113.55 130.99 2d8m h SER 101 Ca -0.27 -0.00 0.34 0.00 -1.23 0.00 0.00 61.79 60.64 2d8m h SER 101 Cb 1.16 -0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 63.03 2d8m h SER 101 CO 1.20 0.08 0.84 0.06 -0.53 0.00 0.00 176.83 178.48 2d8m h GLN 102 N 0.14 0.10 -0.00 2.24 3.07 -1.95 1.31 115.11 120.03 2d8m h GLN 102 Ca 0.11 -0.01 -0.14 0.00 0.09 0.00 0.00 58.65 58.70 2d8m h GLN 102 Cb 0.26 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.78 2d8m h GLN 102 CO -0.02 0.07 -0.66 0.00 0.09 0.00 0.00 178.83 178.31 2d8m h ARG 103 N 0.10 0.00 0.00 0.06 -0.00 -1.72 -3.12 114.38 109.71 2d8m h ARG 103 Ca 0.61 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.09 2d8m h ARG 103 Cb 2.18 0.00 0.00 0.00 0.00 0.00 0.00 29.97 32.15 2d8m h ARG 103 CO -0.11 0.66 -1.20 0.66 0.00 0.00 0.00 179.97 179.98 2d8m n TYR 104 N -3.75 0.10 -1.49 3.04 4.02 0.36 -4.91 117.16 114.53 2d8m n TYR 104 Ca -0.01 0.03 -0.46 0.00 -0.01 0.00 0.00 57.90 57.45 2d8m n TYR 104 Cb 0.65 -0.28 -0.07 0.00 -0.02 0.00 0.00 39.34 39.62 2d8m n TYR 104 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2d8m n LEU 105 N -1.84 2.16 0.03 7.72 4.77 0.35 -3.63 117.00 126.56 2d8m n LEU 105 Ca 0.02 0.21 -0.10 0.00 -0.03 0.00 0.00 56.01 56.11 2d8m n LEU 105 Cb 0.42 -1.33 -0.07 0.00 -2.33 0.00 0.00 43.42 40.11 2d8m n LEU 105 CO 0.42 -0.86 0.35 0.24 -1.33 0.00 0.00 177.39 176.21 2d8m h MET 106 N 13.93 -0.16 -6.87 3.23 2.86 -1.83 -3.46 114.93 122.62 2d8m h MET 106 Ca -0.27 0.01 -0.47 0.00 -2.06 0.00 0.00 59.70 56.91 2d8m h MET 106 Cb 1.30 0.04 0.22 0.00 0.06 0.00 0.00 31.60 33.22 2d8m h MET 106 CO 1.07 0.29 -0.58 0.00 1.06 0.00 0.00 176.91 178.74 2d8m n ALA 107 N -2.60 -3.25 -1.00 6.32 0.00 -1.26 -4.99 120.51 113.74 2d8m n ALA 107 Ca -0.07 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.30 2d8m n ALA 107 Cb 0.26 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 17.95 2d8m n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d8m n GLY 108 N 1.50 -3.15 3.56 0.00 0.00 -1.26 -4.71 105.19 101.13 2d8m n GLY 108 Ca 0.03 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 2d8m n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8m s PRO 109 N -0.10 2.54 -0.27 1.61 0.04 -1.26 -4.70 135.00 132.87 2d8m s PRO 109 Ca 0.00 -0.44 -0.15 0.00 0.04 0.00 0.00 61.00 60.45 2d8m s PRO 109 Cb 0.00 -5.09 -0.11 0.00 0.04 0.00 0.00 34.50 29.33 2d8m s PRO 109 CO 0.00 -3.49 -0.34 0.41 0.04 0.00 0.00 177.00 173.62 2d8m n GLY 110 N 6.67 -0.48 3.49 0.56 0.00 -1.26 -4.73 105.19 109.45 2d8m n GLY 110 Ca 0.41 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 2d8m n GLY 110 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d8m n SER 111 N -4.28 5.05 -4.58 1.61 3.41 -1.26 -4.92 113.62 108.65 2d8m n SER 111 Ca -0.49 -2.95 -0.31 0.00 -0.26 0.00 0.00 58.87 54.86 2d8m n SER 111 Cb 0.84 -1.66 -0.05 0.00 -0.26 0.00 0.00 64.21 63.08 2d8m n SER 111 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d8m s SER 112 N 3.48 5.34 -1.65 4.04 0.01 -1.26 -4.23 113.70 119.44 2d8m s SER 112 Ca 0.48 -1.79 -0.20 0.00 1.31 0.00 0.00 55.95 55.75 2d8m s SER 112 Cb 0.01 -2.59 0.20 0.00 0.21 0.00 0.00 66.02 63.85 2d8m s SER 112 CO 0.04 -2.75 0.50 -0.24 0.41 0.00 0.00 173.24 171.20 2d8m n SER 113 N 13.34 -1.48 -4.17 2.44 2.88 -1.26 -4.83 113.62 120.55 2d8m n SER 113 Ca 0.45 -1.10 -0.38 0.00 -1.33 0.00 0.00 58.87 56.51 2d8m n SER 113 Cb 0.46 -1.41 -0.05 0.00 -0.75 0.00 0.00 64.21 62.47 2d8m n SER 113 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2d8m s GLU 114 N -6.52 3.50 -0.14 -1.46 2.56 -1.26 -5.05 118.70 110.34 2d8m s GLU 114 Ca 0.70 -3.25 -0.26 0.00 0.00 0.00 0.00 54.97 52.16 2d8m s GLU 114 Cb -0.41 -4.11 -0.02 0.00 2.00 0.00 0.00 34.13 31.60 2d8m s GLU 114 CO 0.90 -1.26 0.88 -1.83 -0.56 0.00 0.00 175.26 173.39 2d8m s GLU 115 N -1.30 4.35 0.63 4.30 -1.05 -1.26 -5.01 118.70 119.37 2d8m s GLU 115 Ca 0.28 1.13 -0.17 0.00 -0.15 0.00 0.00 54.97 56.05 2d8m s GLU 115 Cb -0.08 -3.55 -0.09 0.00 -0.44 0.00 0.00 34.13 29.97 2d8m s GLU 115 CO -0.11 -0.28 0.30 -0.25 0.95 0.00 0.00 175.26 175.86 2d8m n ASP 116 N 5.01 -2.00 0.07 0.83 8.00 -1.26 -4.95 116.55 122.26 2d8m n ASP 116 Ca 0.05 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.19 2d8m n ASP 116 Cb 0.49 -1.09 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 2d8m n ASP 116 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2d8m n GLU 117 N 0.23 0.00 -3.15 -1.24 4.07 -1.26 -5.07 120.64 114.23 2d8m n GLU 117 Ca 0.09 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 57.06 2d8m n GLU 117 Cb 0.49 -0.22 0.07 0.00 -0.06 0.00 0.00 31.44 31.72 2d8m n GLU 117 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2d8m n ALA 118 N -3.21 -1.61 -0.02 4.31 0.00 -1.26 -4.96 120.51 113.76 2d8m n ALA 118 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 2d8m n ALA 118 Cb 0.08 -2.06 -0.02 0.00 0.00 0.00 0.00 19.45 17.45 2d8m n ALA 118 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2d8m n SER 119 N -2.70 0.47 -3.29 0.00 2.88 -1.26 -4.75 113.62 104.97 2d8m n SER 119 Ca -0.23 0.08 -0.38 0.00 -1.33 0.00 0.00 58.87 57.01 2d8m n SER 119 Cb 0.64 -0.18 -0.03 0.00 -0.75 0.00 0.00 64.21 63.88 2d8m n SER 119 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2d8m n HIS 120 N -3.29 2.35 -3.68 0.66 -0.00 -1.26 -4.83 115.22 105.17 2d8m n HIS 120 Ca -0.09 -2.86 -0.11 0.00 -0.00 0.00 0.00 57.72 54.65 2d8m n HIS 120 Cb 0.52 -2.14 -0.06 0.00 -0.00 0.00 0.00 29.99 28.31 2d8m n HIS 120 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2d8m s SER 121 N 1.35 -0.21 -1.26 0.26 0.01 -1.26 -5.06 113.70 107.53 2d8m s SER 121 Ca 0.63 -0.20 -0.14 0.00 1.31 0.00 0.00 55.95 57.55 2d8m s SER 121 Cb 0.20 0.42 -0.05 0.00 0.21 0.00 0.00 66.02 66.81 2d8m s SER 121 CO -0.08 -0.73 2.30 0.61 0.41 0.00 0.00 173.24 175.75 2d8m n GLY 122 N 0.20 3.78 0.00 3.44 0.00 -1.26 -4.70 105.19 106.65 2d8m n GLY 122 Ca -0.17 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 4.05 1.44 3.26 -0.02 0.00 -1.26 -4.91 105.19 107.74 2d8m n GLY 123 Ca 0.56 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.38 2d8m n GLY 123 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d8m n SER 124 N -0.01 -5.66 0.00 1.61 7.64 -1.26 -4.41 113.62 111.53 2d8m n SER 124 Ca 0.00 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.43 2d8m n SER 124 Cb 0.00 -4.30 0.00 0.00 -1.01 0.00 0.00 64.21 58.90 2d8m n SER 124 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8m n GLY 125 N -1.77 1.01 3.75 0.23 0.00 -1.26 -4.96 105.19 102.19 2d8m n GLY 125 Ca 0.01 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 4.43 0.22 1.61 0.04 -1.26 -5.05 135.00 135.00 2d8m s PRO 126 Ca 0.00 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.16 2d8m s PRO 126 Cb 0.00 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.34 2d8m s PRO 126 CO 0.00 -0.13 -0.11 -1.54 0.04 0.00 0.00 177.00 175.27 2d8m s SER 127 N -0.21 2.48 -0.24 6.66 1.04 -1.26 -4.91 113.70 117.27 2d8m s SER 127 Ca 0.51 -1.08 -0.11 0.00 0.48 0.00 0.00 55.95 55.76 2d8m s SER 127 Cb -0.36 -0.12 -0.11 0.00 0.10 0.00 0.00 66.02 65.53 2d8m s SER 127 CO 0.44 -0.26 -0.30 -0.24 0.98 0.00 0.00 173.24 173.86 2d8m n SER 128 N -0.42 1.74 0.00 7.02 2.88 -1.26 -5.21 113.62 118.37 2d8m n SER 128 Ca -0.07 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 2d8m n SER 128 Cb 0.61 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 2d8m n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42