#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 6.41 -0.04 1.61 1.04 -1.26 -5.07 113.70 116.40 2d8m s SER 2 Ca 0.00 0.49 -0.03 0.00 0.48 0.00 0.00 55.95 56.88 2d8m s SER 2 Cb 0.00 -2.22 0.01 0.00 0.10 0.00 0.00 66.02 63.91 2d8m s SER 2 CO 0.00 -0.05 0.11 -0.55 0.98 0.00 0.00 173.24 173.72 2d8m s SER 3 N 1.00 -0.10 0.00 7.02 0.15 -1.26 -5.15 113.70 115.36 2d8m s SER 3 Ca 0.18 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.04 2d8m s SER 3 Cb -0.15 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 2d8m s SER 3 CO 0.07 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2d8m n GLY 4 N 3.15 1.67 3.93 9.45 0.00 -1.26 -5.16 105.19 116.96 2d8m n GLY 4 Ca -0.14 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 2d8m n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8m s SER 5 N 0.00 6.02 -0.11 1.61 1.04 -1.26 -5.04 113.70 115.96 2d8m s SER 5 Ca 0.00 0.58 -0.03 0.00 0.48 0.00 0.00 55.95 56.98 2d8m s SER 5 Cb 0.00 -1.88 -0.06 0.00 0.10 0.00 0.00 66.02 64.18 2d8m s SER 5 CO 0.00 -0.63 -0.13 -1.54 0.98 0.00 0.00 173.24 171.92 2d8m n SER 6 N -2.15 1.87 0.00 7.02 3.41 -1.26 -5.14 113.62 117.38 2d8m n SER 6 Ca 0.00 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2d8m n SER 6 Cb 0.57 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2d8m n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8m n GLY 7 N 2.59 4.62 3.59 5.00 0.00 -1.26 -5.18 105.19 114.55 2d8m n GLY 7 Ca -0.21 -1.14 -0.08 0.00 0.00 0.00 0.00 46.02 44.59 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 -4.71 0.47 -0.16 1.61 1.03 -1.26 -5.13 118.70 110.55 2d8m s GLU 8 Ca 0.00 0.06 -0.29 0.00 0.03 0.00 0.00 54.97 54.77 2d8m s GLU 8 Cb 0.00 0.22 -0.03 0.00 -0.80 0.00 0.00 34.13 33.52 2d8m s GLU 8 CO 0.00 -0.16 1.56 -1.25 -1.33 0.00 0.00 175.26 174.08 2d8m s PRO 9 N -1.36 4.00 -0.19 -4.83 0.04 -1.26 -4.88 135.00 126.53 2d8m s PRO 9 Ca 0.02 1.83 0.17 0.00 0.04 0.00 0.00 61.00 63.06 2d8m s PRO 9 Cb -0.01 -3.97 -0.24 0.00 0.04 0.00 0.00 34.50 30.33 2d8m s PRO 9 CO -0.02 -1.04 0.06 0.54 0.04 0.00 0.00 177.00 176.58 2d8m n ARG 10 N 7.29 0.84 -2.40 4.56 1.74 -1.26 -4.97 116.66 122.46 2d8m n ARG 10 Ca 0.17 -0.01 -0.37 0.00 -0.77 0.00 0.00 57.85 56.87 2d8m n ARG 10 Cb 0.44 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 2d8m n ARG 10 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2d8m s ARG 11 N -2.47 4.07 0.58 5.56 1.70 -1.26 -5.04 118.95 122.09 2d8m s ARG 11 Ca -0.10 1.68 -0.10 0.00 -0.47 0.00 0.00 55.73 56.74 2d8m s ARG 11 Cb 0.06 -2.58 0.14 0.00 -0.57 0.00 0.00 34.95 32.00 2d8m s ARG 11 CO 0.79 -0.27 0.52 -0.35 -1.08 0.00 0.00 175.30 174.91 2d8m n PRO 12 N -0.06 -2.03 0.01 3.89 -0.04 -1.26 -5.03 135.00 130.48 2d8m n PRO 12 Ca 0.05 -0.83 -0.00 0.00 -0.04 0.00 0.00 63.50 62.68 2d8m n PRO 12 Cb 0.48 -0.78 -0.00 0.00 -0.04 0.00 0.00 33.50 33.16 2d8m n PRO 12 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2d8m h ARG 13 N 0.00 -0.02 -0.51 0.54 2.43 -2.02 -3.42 114.38 111.38 2d8m h ARG 13 Ca -0.19 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.64 2d8m h ARG 13 Cb 0.59 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.75 2d8m h ARG 13 CO 0.13 -0.01 -1.01 0.00 -1.51 0.00 0.00 179.97 177.57 2d8m n ALA 14 N -2.03 3.39 -1.54 2.80 0.00 -1.26 -5.11 120.51 116.75 2d8m n ALA 14 Ca -0.00 -3.08 0.02 0.00 0.00 0.00 0.00 53.44 50.38 2d8m n ALA 14 Cb 0.01 -0.68 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.61 -3.66 0.00 0.00 0.00 -1.26 -3.76 105.19 95.89 2d8m n GLY 15 Ca 0.19 -0.79 0.06 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.84 0.49 -0.06 1.61 -0.04 -1.26 -3.17 135.00 129.73 2d8m n PRO 16 Ca -0.01 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.35 2d8m n PRO 16 Cb 0.48 -1.38 -0.09 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.00 -0.67 0.54 4.57 -1.89 -3.15 114.58 113.97 2d8m h GLU 17 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 2d8m h GLU 17 Cb 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.51 2d8m h GLU 17 CO 0.00 0.69 -0.39 -1.91 -1.18 0.00 0.00 179.01 176.21 2d8m n GLU 18 N -4.66 -0.29 -0.01 1.92 4.07 -1.19 0.40 120.64 120.88 2d8m n GLU 18 Ca -0.07 1.07 -0.10 0.00 -0.06 0.00 0.00 57.16 57.99 2d8m n GLU 18 Cb 0.33 -1.57 -0.05 0.00 -0.06 0.00 0.00 31.44 30.10 2d8m n GLU 18 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2d8m h LEU 19 N 0.00 0.06 -1.01 4.31 4.07 -1.76 -1.58 115.31 119.40 2d8m h LEU 19 Ca 0.11 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2d8m h LEU 19 Cb 0.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.01 2d8m h LEU 19 CO -0.63 0.05 0.57 1.23 -1.08 0.00 0.00 178.44 178.58 2d8m h GLY 20 N 0.11 0.00 0.99 0.83 0.00 0.79 1.05 103.07 106.84 2d8m h GLY 20 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.11 2d8m h GLY 20 CO -0.05 0.00 -1.66 0.28 0.00 0.00 0.00 176.54 175.11 2d8m n LYS 21 N -2.51 0.63 0.11 4.80 5.02 -0.60 -3.49 118.16 122.11 2d8m n LYS 21 Ca -0.01 0.29 -0.14 0.00 -2.02 0.00 0.00 58.31 56.43 2d8m n LYS 21 Cb 0.59 -1.80 -0.08 0.00 -0.02 0.00 0.00 35.03 33.72 2d8m n LYS 21 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2d8m h ILE 22 N 0.00 0.14 -1.59 -0.18 2.04 0.13 -2.92 117.51 115.13 2d8m h ILE 22 Ca -0.27 0.00 -0.67 0.00 1.00 0.00 0.00 64.86 64.92 2d8m h ILE 22 Cb 1.96 0.14 -0.34 0.00 -0.74 0.00 0.00 36.82 37.84 2d8m h ILE 22 CO 0.08 0.00 0.20 0.18 0.00 0.00 0.00 178.15 178.60 2d8m n LEU 23 N -5.47 6.25 -4.62 1.44 4.77 0.07 -4.85 117.00 114.60 2d8m n LEU 23 Ca -0.07 -4.91 -0.43 0.00 -0.03 0.00 0.00 56.01 50.57 2d8m n LEU 23 Cb 0.38 -0.76 -0.03 0.00 -2.33 0.00 0.00 43.42 40.68 2d8m n LEU 23 CO 0.19 1.94 1.43 -1.58 -1.33 0.00 0.00 177.39 178.04 2d8m s GLN 24 N -3.80 3.64 0.00 3.23 2.00 -1.10 -2.68 119.66 120.94 2d8m s GLN 24 Ca 0.52 1.59 0.00 0.00 -2.00 0.00 0.00 55.36 55.47 2d8m s GLN 24 Cb 0.43 -4.10 0.00 0.00 0.80 0.00 0.00 33.01 30.14 2d8m s GLN 24 CO -0.24 -1.49 0.00 0.41 -0.50 0.00 0.00 175.29 173.47 2d8m n GLY 25 N 4.94 0.96 3.41 2.59 0.00 -1.16 -3.32 105.19 112.61 2d8m n GLY 25 Ca 0.20 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.43 2.31 -0.16 1.61 1.01 -1.09 -4.85 120.40 116.79 2d8m s VAL 26 Ca 0.00 -2.00 -0.00 0.00 0.00 0.00 0.00 61.98 59.98 2d8m s VAL 26 Cb 0.00 -2.09 0.04 0.00 0.00 0.00 0.00 36.38 34.33 2d8m s VAL 26 CO 0.00 -0.11 -0.07 -0.69 0.00 0.00 0.00 175.10 174.24 2d8m s VAL 27 N -1.63 1.20 0.41 2.92 1.01 -1.26 0.04 120.40 123.10 2d8m s VAL 27 Ca 0.20 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.61 2d8m s VAL 27 Cb -0.08 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2d8m s VAL 27 CO 0.09 0.18 0.23 0.68 0.00 0.00 0.00 175.10 176.28 2d8m s VAL 28 N 1.60 2.42 -0.09 2.92 -7.23 0.64 -1.79 120.40 118.87 2d8m s VAL 28 Ca 0.01 -1.61 -0.04 0.00 -1.81 0.00 0.00 61.98 58.53 2d8m s VAL 28 Cb -0.15 -3.00 0.05 0.00 0.56 0.00 0.00 36.38 33.84 2d8m s VAL 28 CO -0.08 -0.01 0.18 -0.69 -0.31 0.00 0.00 175.10 174.19 2d8m s VAL 29 N -2.56 -0.17 -0.29 1.32 1.01 -1.19 -2.90 120.40 115.62 2d8m s VAL 29 Ca 0.43 0.25 -0.27 0.00 0.00 0.00 0.00 61.98 62.38 2d8m s VAL 29 Cb 0.02 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 36.10 2d8m s VAL 29 CO 0.24 0.10 0.97 -0.76 0.00 0.00 0.00 175.10 175.66 2d8m s LEU 30 N 1.74 4.02 -0.04 3.92 1.43 -1.26 -1.62 118.68 126.87 2d8m s LEU 30 Ca -0.04 1.03 0.03 0.00 -1.03 0.00 0.00 54.13 54.12 2d8m s LEU 30 Cb -0.12 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.71 2d8m s LEU 30 CO -0.07 -0.74 -0.14 -0.55 0.23 0.00 0.00 176.35 175.08 2d8m s SER 31 N 1.52 1.88 -0.84 2.29 0.15 -1.02 -4.78 113.70 112.90 2d8m s SER 31 Ca 0.41 -0.31 -0.04 0.00 0.70 0.00 0.00 55.95 56.71 2d8m s SER 31 Cb -0.14 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 2d8m s SER 31 CO 0.12 0.11 0.72 0.61 1.20 0.00 0.00 173.24 176.00 2d8m n GLY 32 N 3.31 -0.01 3.40 9.45 0.00 -1.26 -3.42 105.19 116.67 2d8m n GLY 32 Ca -0.19 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.21 2.27 -0.07 1.61 0.08 -1.26 -4.70 117.98 112.71 2d8m s PHE 33 Ca 0.29 -0.38 -0.03 0.00 0.12 0.00 0.00 56.93 56.94 2d8m s PHE 33 Cb -0.13 -1.19 0.04 0.00 -0.57 0.00 0.00 43.02 41.17 2d8m s PHE 33 CO 0.46 0.39 0.14 1.14 -0.10 0.00 0.00 175.22 177.25 2d8m s GLN 34 N -2.30 0.03 0.73 0.44 -2.07 -1.26 -4.82 119.66 110.41 2d8m s GLN 34 Ca 0.16 0.47 -0.16 0.00 -1.82 0.00 0.00 55.36 54.01 2d8m s GLN 34 Cb -0.09 -0.27 -0.04 0.00 -1.09 0.00 0.00 33.01 31.51 2d8m s GLN 34 CO 0.07 -0.26 0.49 0.27 -1.32 0.00 0.00 175.29 174.54 2d8m n ASN 35 N 4.96 -1.34 0.21 12.60 6.94 -1.26 -2.32 115.26 135.05 2d8m n ASN 35 Ca -0.12 0.58 0.07 0.00 -0.02 0.00 0.00 54.58 55.10 2d8m n ASN 35 Cb 0.50 -1.20 0.44 0.00 -2.36 0.00 0.00 39.78 37.16 2d8m n ASN 35 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2d8m h PRO 36 N -0.40 0.00 -0.65 -0.53 0.13 -2.01 -3.44 132.00 125.10 2d8m h PRO 36 Ca -0.45 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.74 2d8m h PRO 36 Cb 1.35 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.40 2d8m h PRO 36 CO 0.42 0.30 -0.39 0.34 -0.23 0.00 0.00 178.00 178.45 2d8m n PHE 37 N -3.63 -0.29 -0.21 1.56 7.35 -0.98 0.69 117.46 121.95 2d8m n PHE 37 Ca -0.01 0.82 -0.04 0.00 -0.76 0.00 0.00 57.45 57.46 2d8m n PHE 37 Cb 0.42 -0.54 0.02 0.00 0.35 0.00 0.00 39.48 39.73 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 -0.12 0.70 -4.13 2.43 -1.81 0.44 114.38 111.88 2d8m h ARG 38 Ca 0.10 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2d8m h ARG 38 Cb 0.27 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2d8m h ARG 38 CO -0.61 -0.08 -0.44 1.03 -1.51 0.00 0.00 179.97 178.36 2d8m h SER 39 N -0.13 -1.10 -0.80 -3.80 0.87 -0.06 0.86 113.55 109.39 2d8m h SER 39 Ca 0.25 0.06 0.19 0.00 -1.23 0.00 0.00 61.79 61.06 2d8m h SER 39 Cb 0.54 0.32 -0.14 0.00 -0.44 0.00 0.00 62.40 62.69 2d8m h SER 39 CO -0.69 -0.67 -0.02 -0.08 -0.53 0.00 0.00 176.83 174.84 2d8m h GLU 40 N -1.07 0.07 -0.25 2.24 4.81 -0.14 0.81 114.58 121.06 2d8m h GLU 40 Ca -0.09 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 2d8m h GLU 40 Cb 0.86 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 2d8m h GLU 40 CO 0.09 0.05 0.05 1.25 -0.73 0.00 0.00 179.01 179.72 2d8m h LEU 41 N 0.08 0.38 -0.69 1.64 5.85 -0.68 -2.96 115.31 118.93 2d8m h LEU 41 Ca 0.44 -0.24 0.12 0.00 0.84 0.00 0.00 57.88 59.04 2d8m h LEU 41 Cb 0.78 -0.10 -0.13 0.00 0.37 0.00 0.00 40.66 41.59 2d8m h LEU 41 CO -0.73 0.52 -0.33 -0.09 -0.34 0.00 0.00 178.44 177.47 2d8m h ARG 42 N 0.22 -0.11 0.18 1.25 9.65 0.16 -0.56 114.38 125.17 2d8m h ARG 42 Ca 0.08 0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.98 2d8m h ARG 42 Cb 0.29 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.87 2d8m h ARG 42 CO 0.00 -0.07 -0.26 0.22 2.80 0.00 0.00 179.97 182.65 2d8m h ASP 43 N -0.11 -0.73 -0.70 -3.80 3.58 -1.36 -0.84 116.42 112.45 2d8m h ASP 43 Ca 0.27 0.08 0.14 0.00 0.42 0.00 0.00 57.03 57.94 2d8m h ASP 43 Cb 0.56 0.27 -0.13 0.00 1.72 0.00 0.00 39.33 41.75 2d8m h ASP 43 CO -0.75 -0.37 -0.13 0.11 -2.88 0.00 0.00 179.24 175.22 2d8m h LYS 44 N -0.51 0.02 -0.73 0.28 1.57 -1.02 0.20 116.57 116.38 2d8m h LYS 44 Ca 0.01 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2d8m h LYS 44 Cb 0.51 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 2d8m h LYS 44 CO -0.11 0.02 0.37 0.00 -0.57 0.00 0.00 179.45 179.16 2d8m h ALA 45 N 1.69 0.94 -0.64 3.86 0.00 -0.76 -2.74 119.26 121.61 2d8m h ALA 45 Ca 0.35 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2d8m h ALA 45 Cb 0.55 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2d8m h ALA 45 CO -0.69 0.48 0.38 -0.07 0.00 0.00 0.00 179.25 179.35 2d8m h LEU 46 N 1.02 0.77 -0.40 0.00 3.38 0.72 -2.61 115.31 118.20 2d8m h LEU 46 Ca 0.25 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.23 2d8m h LEU 46 Cb 0.08 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 2d8m h LEU 46 CO -0.04 0.60 0.00 -0.33 0.09 0.00 0.00 178.44 178.77 2d8m h GLU 47 N 0.87 0.11 -0.06 1.13 4.39 -0.55 0.13 114.58 120.59 2d8m h GLU 47 Ca 0.23 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.94 2d8m h GLU 47 Cb -0.02 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2d8m h GLU 47 CO -0.04 0.07 0.10 -0.07 -1.16 0.00 0.00 179.01 177.91 2d8m h LEU 48 N 0.11 0.00 0.00 1.33 3.38 -1.32 1.86 115.31 120.67 2d8m h LEU 48 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2d8m h LEU 48 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2d8m h LEU 48 CO -0.32 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.82 2d8m n GLY 49 N -1.28 1.66 3.92 0.83 0.00 0.45 -0.75 105.19 110.02 2d8m n GLY 49 Ca -0.01 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 3.90 -0.03 4.61 0.00 -1.01 -3.87 121.76 123.36 2d8m s ALA 50 Ca 0.00 -0.78 -0.25 0.00 0.00 0.00 0.00 51.96 50.93 2d8m s ALA 50 Cb 0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 2d8m s ALA 50 CO 0.00 0.66 0.76 0.15 0.00 0.00 0.00 175.76 177.33 2d8m s LYS 51 N -2.82 4.47 -0.42 0.00 3.01 0.11 -4.38 119.74 119.70 2d8m s LYS 51 Ca 0.37 1.00 -0.12 0.00 -1.01 0.00 0.00 55.97 56.21 2d8m s LYS 51 Cb -0.12 -3.43 0.05 0.00 -1.01 0.00 0.00 37.83 33.32 2d8m s LYS 51 CO 0.27 0.09 0.29 -0.47 0.51 0.00 0.00 175.35 176.05 2d8m s TYR 52 N 0.65 3.27 -0.08 3.18 5.04 -1.26 -0.26 117.35 127.89 2d8m s TYR 52 Ca 0.40 -1.05 -0.02 0.00 -2.44 0.00 0.00 57.07 53.95 2d8m s TYR 52 Cb -0.19 -2.83 -0.03 0.00 0.35 0.00 0.00 41.96 39.26 2d8m s TYR 52 CO 0.21 -0.74 0.03 1.03 -1.34 0.00 0.00 175.55 174.74 2d8m s ARG 53 N 1.56 3.05 0.37 4.97 1.81 -1.14 -5.00 118.95 124.58 2d8m s ARG 53 Ca 0.03 -0.38 0.28 0.00 -1.72 0.00 0.00 55.73 53.94 2d8m s ARG 53 Cb -0.22 -2.85 1.15 0.00 -0.45 0.00 0.00 34.95 32.58 2d8m s ARG 53 CO 0.06 0.71 1.82 -1.00 -0.68 0.00 0.00 175.30 176.21 2d8m h PRO 54 N 4.97 0.00 -3.70 3.54 0.13 -1.95 -3.37 132.00 131.63 2d8m h PRO 54 Ca -0.51 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.54 2d8m h PRO 54 Cb 1.20 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 2d8m h PRO 54 CO 0.56 0.00 -0.25 -0.51 -0.23 0.00 0.00 178.00 177.57 2d8m s ASP 55 N -4.79 -0.02 -0.54 1.44 1.01 -1.26 -4.97 116.67 107.55 2d8m s ASP 55 Ca 0.03 -0.65 -0.26 0.00 0.71 0.00 0.00 52.55 52.38 2d8m s ASP 55 Cb 0.09 0.43 -0.05 0.00 1.01 0.00 0.00 42.92 44.40 2d8m s ASP 55 CO 0.45 -0.85 2.20 0.86 0.21 0.00 0.00 175.17 178.03 2d8m s TRP 56 N -3.89 1.30 0.70 4.23 -0.11 -1.26 -4.95 118.94 114.97 2d8m s TRP 56 Ca 0.09 1.27 0.02 0.00 1.22 0.00 0.00 56.10 58.70 2d8m s TRP 56 Cb 0.03 -3.78 0.14 0.00 -1.50 0.00 0.00 33.47 28.36 2d8m s TRP 56 CO -0.06 -2.44 0.97 0.25 -4.62 0.00 0.00 176.95 171.04 2d8m n THR 57 N 7.69 0.00 0.08 5.86 -2.24 -1.26 -4.99 114.28 119.43 2d8m n THR 57 Ca 0.30 -1.65 -0.05 0.00 -2.27 0.00 0.00 64.05 60.38 2d8m n THR 57 Cb 0.54 -0.82 0.11 0.00 -2.10 0.00 0.00 70.33 68.06 2d8m n THR 57 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2d8m h ARG 58 N 0.00 0.25 0.00 -0.78 1.12 -2.04 -2.85 114.38 110.08 2d8m h ARG 58 Ca -0.32 -0.18 0.00 0.00 -1.11 0.00 0.00 59.98 58.37 2d8m h ARG 58 Cb 1.23 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.22 2d8m h ARG 58 CO 0.36 0.79 0.00 -0.44 -3.11 0.00 0.00 179.97 177.57 2d8m h ASP 59 N 0.19 0.00 -1.79 -3.80 3.32 -1.98 -3.44 116.42 108.91 2d8m h ASP 59 Ca -0.01 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.39 2d8m h ASP 59 Cb 1.12 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.68 2d8m h ASP 59 CO 0.10 0.00 1.12 -1.20 -1.72 0.00 0.00 179.24 177.54 2d8m n SER 60 N -2.74 3.03 -0.08 6.45 7.64 -1.08 -4.52 113.62 122.33 2d8m n SER 60 Ca 0.03 0.88 -0.10 0.00 1.01 0.00 0.00 58.87 60.69 2d8m n SER 60 Cb 0.36 -1.31 -0.08 0.00 -1.01 0.00 0.00 64.21 62.17 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 5.46 0.92 -4.67 0.44 -2.24 -0.74 -4.91 114.28 108.54 2d8m n THR 61 Ca 0.26 -0.42 -0.24 0.00 -2.27 0.00 0.00 64.05 61.38 2d8m n THR 61 Cb 0.26 -0.94 -0.14 0.00 -2.10 0.00 0.00 70.33 67.40 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 -2.32 1.60 -0.26 4.78 3.76 -0.74 -2.95 115.29 119.17 2d8m s HIS 62 Ca -0.17 -0.34 -0.06 0.00 -0.15 0.00 0.00 55.06 54.35 2d8m s HIS 62 Cb 0.05 -0.99 -0.00 0.00 1.11 0.00 0.00 32.58 32.75 2d8m s HIS 62 CO 0.43 0.03 0.03 -1.17 -0.85 0.00 0.00 174.74 173.21 2d8m s LEU 63 N -0.86 3.44 -0.96 0.89 2.96 0.72 -3.17 118.68 121.70 2d8m s LEU 63 Ca 0.06 -0.52 -0.20 0.00 -0.22 0.00 0.00 54.13 53.25 2d8m s LEU 63 Cb -0.08 -1.83 0.11 0.00 0.50 0.00 0.00 46.19 44.89 2d8m s LEU 63 CO 0.01 -0.10 1.22 -0.63 -1.32 0.00 0.00 176.35 175.52 2d8m s ILE 64 N 1.51 4.53 -0.05 6.68 -1.09 -0.64 -1.66 121.20 130.48 2d8m s ILE 64 Ca 0.04 -1.40 -0.14 0.00 -2.23 0.00 0.00 60.65 56.93 2d8m s ILE 64 Cb -0.16 -4.86 -0.05 0.00 -1.58 0.00 0.00 42.46 35.81 2d8m s ILE 64 CO 0.01 -1.62 0.36 0.00 -1.23 0.00 0.00 174.94 172.45 2d8m h ALA 66 N 5.11 0.06 -2.47 0.00 0.00 -1.83 -1.53 119.26 118.60 2d8m h ALA 66 Ca -0.50 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 53.68 2d8m h ALA 66 Cb 1.21 0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.92 2d8m h ALA 66 CO 0.63 0.60 0.22 -0.59 0.00 0.00 0.00 179.25 180.12 2d8m s PHE 67 N -3.15 -0.58 1.01 0.00 -0.12 -1.26 -4.76 117.98 109.12 2d8m s PHE 67 Ca -0.11 0.70 -0.17 0.00 -0.05 0.00 0.00 56.93 57.31 2d8m s PHE 67 Cb 0.05 0.49 0.25 0.00 -0.63 0.00 0.00 43.02 43.18 2d8m s PHE 67 CO 0.90 -0.71 0.86 0.00 -0.05 0.00 0.00 175.22 176.22 2d8m n ALA 68 N 0.25 -2.90 -2.67 1.99 0.00 -1.26 -4.22 120.51 111.70 2d8m n ALA 68 Ca -0.17 -1.30 -0.18 0.00 0.00 0.00 0.00 53.44 51.79 2d8m n ALA 68 Cb 0.61 -0.09 0.02 0.00 0.00 0.00 0.00 19.45 19.98 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 -4.58 -5.16 -4.56 0.00 3.02 -1.26 -5.01 115.26 97.71 2d8m n ASN 69 Ca 0.12 -0.15 -0.25 0.00 -0.03 0.00 0.00 54.58 54.27 2d8m n ASN 69 Cb 0.47 -4.10 -0.09 0.00 -0.61 0.00 0.00 39.78 35.45 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 -2.98 3.06 -0.17 3.41 -4.23 -1.26 -5.02 115.64 108.44 2d8m s THR 70 Ca 0.16 -1.94 0.29 0.00 -1.18 0.00 0.00 61.69 59.02 2d8m s THR 70 Cb -0.07 -2.57 0.32 0.00 1.34 0.00 0.00 72.50 71.52 2d8m s THR 70 CO 0.19 -0.26 1.86 1.55 -0.54 0.00 0.00 174.62 177.42 2d8m h PRO 71 N 2.45 0.00 0.00 3.99 0.13 -1.95 -2.55 132.00 134.07 2d8m h PRO 71 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2d8m h PRO 71 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2d8m h PRO 71 CO 0.57 0.00 -1.34 1.17 -0.23 0.00 0.00 178.00 178.17 2d8m n LYS 72 N -2.66 0.36 0.04 0.86 3.00 -1.26 -3.50 118.16 115.00 2d8m n LYS 72 Ca 0.01 -0.06 -0.19 0.00 -0.00 0.00 0.00 58.31 58.07 2d8m n LYS 72 Cb 0.26 -1.56 -0.14 0.00 0.00 0.00 0.00 35.03 33.59 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 0.00 0.60 0.01 5.64 3.20 -1.81 -3.09 116.97 121.53 2d8m h TYR 73 Ca 0.00 -0.40 -0.21 0.00 3.14 0.00 0.00 58.73 61.26 2d8m h TYR 73 Cb 0.78 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 2d8m h TYR 73 CO 0.00 1.28 -0.93 0.77 -1.64 0.00 0.00 178.16 177.63 2d8m h SER 74 N -0.25 0.38 0.85 -2.11 0.02 -1.72 -2.87 113.55 107.86 2d8m h SER 74 Ca -0.13 -0.31 -0.04 0.00 -0.84 0.00 0.00 61.79 60.47 2d8m h SER 74 Cb 1.57 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 64.00 2d8m h SER 74 CO 0.15 1.12 -0.43 -0.61 -1.14 0.00 0.00 176.83 175.93 2d8m h GLN 75 N 0.16 -1.13 0.00 3.45 4.15 -1.67 -1.57 115.11 118.50 2d8m h GLN 75 Ca -0.06 0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2d8m h GLN 75 Cb 1.57 0.26 0.00 0.00 0.21 0.00 0.00 27.48 29.52 2d8m h GLN 75 CO 0.15 -0.75 0.00 0.28 -1.93 0.00 0.00 178.83 176.58 2d8m n VAL 76 N -5.20 0.93 -0.02 2.39 0.31 -1.17 -2.29 118.33 113.29 2d8m n VAL 76 Ca -0.14 0.54 -0.16 0.00 -0.01 0.00 0.00 64.34 64.57 2d8m n VAL 76 Cb 0.47 -1.52 -0.11 0.00 -0.91 0.00 0.00 33.84 31.76 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 0.33 -0.80 7.52 5.85 -1.18 -2.19 115.31 124.85 2d8m h LEU 77 Ca 0.00 -0.77 -0.09 0.00 0.84 0.00 0.00 57.88 57.86 2d8m h LEU 77 Cb 0.15 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2d8m h LEU 77 CO 0.00 1.06 -0.11 1.23 -0.34 0.00 0.00 178.44 180.28 2d8m h GLY 78 N -0.36 0.85 1.00 3.75 0.00 -0.87 -3.03 103.07 104.42 2d8m h GLY 78 Ca -0.05 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 2d8m h GLY 78 CO 0.07 0.59 0.35 1.41 0.00 0.00 0.00 176.54 178.97 2d8m h LEU 79 N 0.71 0.81 0.00 3.11 3.38 -1.60 -3.47 115.31 118.25 2d8m h LEU 79 Ca 0.12 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2d8m h LEU 79 Cb 0.59 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2d8m h LEU 79 CO 0.04 0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.85 2d8m n GLY 80 N -1.06 1.21 3.98 0.83 0.00 -1.14 -5.13 105.19 103.89 2d8m n GLY 80 Ca 0.05 0.00 -0.20 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 -2.00 1.49 -0.83 -0.02 0.00 -0.83 -5.02 107.32 100.11 2d8m s GLY 81 Ca 0.00 -1.39 -0.25 0.00 0.00 0.00 0.00 44.72 43.08 2d8m s GLY 81 CO 0.00 -1.33 1.57 -1.60 0.00 0.00 0.00 173.10 171.74 2d8m s ARG 82 N -4.13 3.08 -0.40 2.90 3.52 -1.15 -4.81 118.95 117.96 2d8m s ARG 82 Ca 0.42 -0.34 -0.25 0.00 -0.13 0.00 0.00 55.73 55.43 2d8m s ARG 82 Cb -0.09 -4.74 0.02 0.00 -1.56 0.00 0.00 34.95 28.57 2d8m s ARG 82 CO 0.31 -2.52 0.86 0.42 -0.81 0.00 0.00 175.30 173.56 2d8m s ILE 83 N 7.00 4.61 0.11 4.11 1.01 -1.26 -0.20 121.20 136.58 2d8m s ILE 83 Ca 0.51 0.91 0.06 0.00 0.00 0.00 0.00 60.65 62.13 2d8m s ILE 83 Cb -0.06 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 2d8m s ILE 83 CO 0.06 -0.59 -0.14 0.68 0.00 0.00 0.00 174.94 174.95 2d8m s VAL 84 N 3.40 1.26 0.68 2.92 -7.23 -0.66 -2.33 120.40 118.44 2d8m s VAL 84 Ca 0.35 -1.65 -0.11 0.00 -1.81 0.00 0.00 61.98 58.76 2d8m s VAL 84 Cb -0.12 -1.45 0.00 0.00 0.56 0.00 0.00 36.38 35.38 2d8m s VAL 84 CO 0.20 -0.40 1.06 -0.13 -0.31 0.00 0.00 175.10 175.52 2d8m s ARG 85 N -2.54 2.96 0.28 4.82 0.52 -1.24 -2.00 118.95 121.75 2d8m s ARG 85 Ca 0.07 1.00 -0.04 0.00 -0.52 0.00 0.00 55.73 56.24 2d8m s ARG 85 Cb -0.05 -1.99 0.36 0.00 0.52 0.00 0.00 34.95 33.78 2d8m s ARG 85 CO 0.03 -1.08 1.95 1.57 0.02 0.00 0.00 175.30 177.78 2d8m h LYS 86 N -0.57 1.20 -0.92 3.54 2.10 -1.57 -2.60 116.57 117.75 2d8m h LYS 86 Ca -0.44 -0.07 0.36 0.00 -2.00 0.00 0.00 60.65 58.50 2d8m h LYS 86 Cb 1.21 -0.27 -0.17 0.00 -0.90 0.00 0.00 32.23 32.10 2d8m h LYS 86 CO 0.57 0.80 0.40 -1.91 -2.00 0.00 0.00 179.45 177.30 2d8m n GLU 87 N -4.40 -0.06 -0.30 0.07 2.13 -1.26 0.78 120.64 117.60 2d8m n GLU 87 Ca 0.11 1.29 0.12 0.00 0.66 0.00 0.00 57.16 59.33 2d8m n GLU 87 Cb 0.02 -2.26 0.26 0.00 0.27 0.00 0.00 31.44 29.73 2d8m n GLU 87 CO 0.00 0.00 0.00 2.35 -0.41 0.00 0.00 177.13 179.07 2d8m h TRP 88 N 0.00 0.11 0.07 4.31 7.01 -1.85 0.17 115.95 125.77 2d8m h TRP 88 Ca 0.74 0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.79 2d8m h TRP 88 Cb 1.88 0.09 0.00 0.00 -2.10 0.00 0.00 29.16 29.04 2d8m h TRP 88 CO -0.10 -0.30 -0.03 0.28 -2.79 0.00 0.00 178.44 175.50 2d8m h VAL 89 N 0.11 1.23 -0.05 2.65 2.07 0.16 -2.37 116.25 120.05 2d8m h VAL 89 Ca 0.53 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.78 2d8m h VAL 89 Cb 1.06 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 2d8m h VAL 89 CO -0.75 0.31 -0.09 -0.07 0.02 0.00 0.00 177.57 176.99 2d8m h LEU 90 N -0.69 -0.29 -0.08 2.57 3.38 -1.00 0.30 115.31 119.48 2d8m h LEU 90 Ca -0.01 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2d8m h LEU 90 Cb 0.57 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 2d8m h LEU 90 CO 0.02 -0.07 -0.39 0.44 0.09 0.00 0.00 178.44 178.53 2d8m h ASP 91 N -0.08 -1.19 -0.95 -0.43 5.19 -1.18 0.28 116.42 118.07 2d8m h ASP 91 Ca 0.01 0.16 0.27 0.00 -0.62 0.00 0.00 57.03 56.84 2d8m h ASP 91 Cb 0.10 0.48 -0.14 0.00 0.18 0.00 0.00 39.33 39.96 2d8m h ASP 91 CO -0.09 -0.42 0.45 0.00 -3.12 0.00 0.00 179.24 176.07 2d8m h HIS 93 N 0.35 -0.35 -0.92 0.00 -0.00 0.96 0.71 115.15 115.90 2d8m h HIS 93 Ca 0.64 -0.01 0.11 0.00 -0.00 0.00 0.00 60.37 61.11 2d8m h HIS 93 Cb 1.33 0.12 -0.13 0.00 -0.00 0.00 0.00 27.41 28.73 2d8m h HIS 93 CO -0.10 -0.22 -0.46 -2.13 -0.00 0.00 0.00 177.93 175.02 2d8m n ARG 94 N -4.12 -0.32 0.16 5.26 3.00 0.84 0.91 116.66 122.39 2d8m n ARG 94 Ca -0.05 1.41 0.04 0.00 -0.00 0.00 0.00 57.85 59.26 2d8m n ARG 94 Cb 0.15 -2.08 0.12 0.00 0.00 0.00 0.00 32.46 30.65 2d8m n ARG 94 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.63 178.15 2d8m h MET 95 N 0.00 0.00 -4.95 -0.14 2.86 -0.93 -3.48 114.93 108.29 2d8m h MET 95 Ca 0.23 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.56 2d8m h MET 95 Cb 0.46 0.00 0.12 0.00 0.06 0.00 0.00 31.60 32.24 2d8m h MET 95 CO -0.89 0.42 -0.57 0.54 1.06 0.00 0.00 176.91 177.46 2d8m n ARG 96 N -3.26 -6.21 -3.91 1.72 1.74 0.26 -5.02 116.66 101.97 2d8m n ARG 96 Ca 0.02 0.68 -0.10 0.00 -0.77 0.00 0.00 57.85 57.68 2d8m n ARG 96 Cb 0.66 -5.25 -0.09 0.00 -1.02 0.00 0.00 32.46 26.76 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 -5.82 0.55 -0.06 5.56 1.70 -0.63 -4.81 118.95 115.46 2d8m s ARG 97 Ca 0.35 -0.66 -0.30 0.00 -0.47 0.00 0.00 55.73 54.65 2d8m s ARG 97 Cb -0.16 0.22 -0.05 0.00 -0.57 0.00 0.00 34.95 34.40 2d8m s ARG 97 CO 0.59 -0.14 1.51 0.50 -1.08 0.00 0.00 175.30 176.69 2d8m s ARG 98 N -2.27 4.22 0.15 3.89 3.52 -1.26 -4.54 118.95 122.66 2d8m s ARG 98 Ca -0.08 2.04 0.07 0.00 -0.13 0.00 0.00 55.73 57.63 2d8m s ARG 98 Cb -0.03 -3.82 -0.04 0.00 -1.56 0.00 0.00 34.95 29.50 2d8m s ARG 98 CO -0.03 -0.74 -0.04 -0.51 -0.81 0.00 0.00 175.30 173.17 2d8m s LEU 99 N 3.44 3.21 -0.59 -0.88 1.43 -1.26 -5.06 118.68 118.97 2d8m s LEU 99 Ca 0.67 -0.40 -0.27 0.00 -1.03 0.00 0.00 54.13 53.10 2d8m s LEU 99 Cb -0.31 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 2d8m s LEU 99 CO 0.26 0.12 1.85 -2.16 0.23 0.00 0.00 176.35 176.65 2d8m s PRO 100 N -2.69 2.69 0.55 1.29 0.04 -1.26 -4.84 135.00 130.79 2d8m s PRO 100 Ca 0.25 0.67 0.24 0.00 0.04 0.00 0.00 61.00 62.20 2d8m s PRO 100 Cb -0.10 -4.37 1.51 0.00 0.04 0.00 0.00 34.50 31.58 2d8m s PRO 100 CO 0.17 -2.66 2.13 1.03 0.04 0.00 0.00 177.00 177.71 2d8m h SER 101 N 14.75 0.00 -1.00 6.66 0.87 -1.99 -2.94 113.55 129.91 2d8m h SER 101 Ca -0.26 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.41 2d8m h SER 101 Cb 1.16 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.99 2d8m h SER 101 CO 1.20 0.00 -0.51 -0.61 -0.53 0.00 0.00 176.83 176.38 2d8m h GLN 102 N 0.00 -0.00 -0.24 2.24 4.15 -1.96 1.78 115.11 121.08 2d8m h GLN 102 Ca 0.07 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.56 2d8m h GLN 102 Cb 0.33 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 2d8m h GLN 102 CO -0.00 -0.00 0.20 0.00 -1.93 0.00 0.00 178.83 177.10 2d8m h ARG 103 N -0.00 0.00 0.05 1.69 3.08 -1.94 -0.31 114.38 116.96 2d8m h ARG 103 Ca 0.23 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.04 2d8m h ARG 103 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 2d8m h ARG 103 CO -0.96 0.00 -1.14 1.88 -1.07 0.00 0.00 179.97 178.68 2d8m h TYR 104 N 0.00 0.21 -0.50 3.04 -1.99 0.23 -3.45 116.97 114.51 2d8m h TYR 104 Ca 0.11 -0.15 -0.68 0.00 2.00 0.00 0.00 58.73 60.01 2d8m h TYR 104 Cb 0.52 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 39.20 2d8m h TYR 104 CO 0.00 1.12 1.43 1.28 -0.00 0.00 0.00 178.16 182.00 2d8m n LEU 105 N -3.41 1.29 0.22 3.88 4.77 0.17 -3.67 117.00 120.26 2d8m n LEU 105 Ca -0.05 0.45 -0.09 0.00 -0.03 0.00 0.00 56.01 56.30 2d8m n LEU 105 Cb 0.98 -1.08 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 2d8m n LEU 105 CO 0.50 -0.79 0.31 0.24 -1.33 0.00 0.00 177.39 176.32 2d8m h MET 106 N 11.22 -0.57 -0.04 3.23 2.86 -1.77 -3.38 114.93 126.48 2d8m h MET 106 Ca -0.17 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2d8m h MET 106 Cb 1.36 0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.15 2d8m h MET 106 CO 1.11 -0.38 0.00 0.00 1.06 0.00 0.00 176.91 178.70 2d8m n ALA 107 N -2.53 2.42 -1.72 6.32 0.00 -1.26 -5.04 120.51 118.70 2d8m n ALA 107 Ca -0.07 -0.65 -0.40 0.00 0.00 0.00 0.00 53.44 52.32 2d8m n ALA 107 Cb 0.23 -0.23 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 0.32 0.64 0.00 0.00 0.00 -1.26 -4.86 105.19 100.03 2d8m n GLY 108 Ca 0.04 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.39 0.43 0.00 1.61 -0.04 -1.26 -4.98 135.00 130.37 2d8m n PRO 109 Ca 0.08 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2d8m n PRO 109 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.66 0.11 0.55 0.00 -1.26 -4.81 105.19 98.10 2d8m n GLY 110 Ca 0.11 -2.05 -0.20 0.00 0.00 0.00 0.00 46.02 43.87 2d8m n GLY 110 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d8m n SER 111 N 0.00 1.92 -3.70 1.61 2.88 -1.26 -5.01 113.62 110.06 2d8m n SER 111 Ca 0.00 0.38 -0.25 0.00 -1.33 0.00 0.00 58.87 57.68 2d8m n SER 111 Cb 0.00 -0.83 0.06 0.00 -0.75 0.00 0.00 64.21 62.68 2d8m n SER 111 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2d8m n SER 112 N -4.38 -4.34 -4.16 -3.46 7.64 -1.26 -1.93 113.62 101.74 2d8m n SER 112 Ca -0.35 -0.68 -0.31 0.00 1.01 0.00 0.00 58.87 58.54 2d8m n SER 112 Cb 0.69 -4.50 -0.04 0.00 -1.01 0.00 0.00 64.21 59.35 2d8m n SER 112 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2d8m n SER 113 N -2.98 -1.12 -2.20 6.43 7.64 -1.26 -4.82 113.62 115.31 2d8m n SER 113 Ca -0.08 -1.08 -0.28 0.00 1.01 0.00 0.00 58.87 58.45 2d8m n SER 113 Cb 0.58 -2.56 0.05 0.00 -1.01 0.00 0.00 64.21 61.28 2d8m n SER 113 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2d8m n GLU 114 N -4.41 2.32 -0.37 1.43 1.02 -0.81 -4.99 120.64 114.83 2d8m n GLU 114 Ca -0.16 -2.56 -0.28 0.00 -0.02 0.00 0.00 57.16 54.14 2d8m n GLU 114 Cb 0.61 -2.01 0.25 0.00 -0.02 0.00 0.00 31.44 30.27 2d8m n GLU 114 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2d8m n GLU 115 N -0.30 -3.63 -4.25 3.49 -0.00 -1.26 -5.05 120.64 109.65 2d8m n GLU 115 Ca 0.49 -1.07 -0.17 0.00 -0.00 0.00 0.00 57.16 56.41 2d8m n GLU 115 Cb 0.60 -1.89 -0.14 0.00 -0.00 0.00 0.00 31.44 30.01 2d8m n GLU 115 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2d8m s ASP 116 N -2.61 0.85 0.24 -1.84 2.15 -1.26 -5.03 116.67 109.17 2d8m s ASP 116 Ca 0.62 -0.16 -0.01 0.00 0.43 0.00 0.00 52.55 53.42 2d8m s ASP 116 Cb -0.15 -0.08 0.53 0.00 -0.30 0.00 0.00 42.92 42.92 2d8m s ASP 116 CO 0.56 0.07 1.27 -0.62 -0.17 0.00 0.00 175.17 176.27 2d8m n GLU 117 N 2.78 -0.07 -3.74 4.34 -0.58 -1.26 -2.01 120.64 120.10 2d8m n GLU 117 Ca -0.14 1.23 -0.33 0.00 -0.42 0.00 0.00 57.16 57.50 2d8m n GLU 117 Cb 0.57 -1.92 -0.09 0.00 -0.57 0.00 0.00 31.44 29.44 2d8m n GLU 117 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d8m s ALA 118 N -5.85 4.07 0.14 0.62 0.00 -1.26 -4.92 121.76 114.56 2d8m s ALA 118 Ca -0.11 -3.82 -0.17 0.00 0.00 0.00 0.00 51.96 47.85 2d8m s ALA 118 Cb 0.23 -2.57 -0.01 0.00 0.00 0.00 0.00 23.12 20.77 2d8m s ALA 118 CO 0.63 -2.13 1.78 0.77 0.00 0.00 0.00 175.76 176.81 2d8m h SER 119 N 5.81 0.42 -3.82 0.00 0.02 -1.83 -3.32 113.55 110.83 2d8m h SER 119 Ca 0.15 -0.04 -0.67 0.00 -0.84 0.00 0.00 61.79 60.39 2d8m h SER 119 Cb 0.79 -0.11 -0.38 0.00 0.14 0.00 0.00 62.40 62.85 2d8m h SER 119 CO 0.80 0.34 -0.41 -1.38 -1.14 0.00 0.00 176.83 175.04 2d8m s HIS 120 N -6.04 3.49 -0.25 3.45 -3.43 -1.26 -4.97 115.29 106.28 2d8m s HIS 120 Ca -0.13 -3.03 -0.13 0.00 -0.80 0.00 0.00 55.06 50.97 2d8m s HIS 120 Cb 0.10 -3.02 -0.04 0.00 -1.43 0.00 0.00 32.58 28.19 2d8m s HIS 120 CO 0.72 -0.73 0.30 -1.54 -2.00 0.00 0.00 174.74 171.49 2d8m s SER 121 N -0.19 6.23 0.00 7.38 1.04 -1.21 -5.01 113.70 121.94 2d8m s SER 121 Ca 0.21 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.89 2d8m s SER 121 Cb -0.15 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.79 2d8m s SER 121 CO -0.07 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.68 2d8m n GLY 122 N 4.45 1.18 2.36 7.32 0.00 -1.26 -3.00 105.19 116.23 2d8m n GLY 122 Ca -0.11 -0.87 -0.02 0.00 0.00 0.00 0.00 46.02 45.02 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 5.00 -2.78 3.68 -0.02 0.00 -1.26 -4.88 105.19 104.93 2d8m n GLY 123 Ca 0.00 0.46 -0.05 0.00 0.00 0.00 0.00 46.02 46.43 2d8m n GLY 123 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8m s SER 124 N -1.49 -0.25 -0.09 1.61 1.04 -1.26 -5.08 113.70 108.18 2d8m s SER 124 Ca 0.07 -0.30 -0.28 0.00 0.48 0.00 0.00 55.95 55.92 2d8m s SER 124 Cb -0.02 0.48 0.09 0.00 0.10 0.00 0.00 66.02 66.68 2d8m s SER 124 CO 0.53 -0.87 1.27 0.61 0.98 0.00 0.00 173.24 175.76 2d8m n GLY 125 N -0.41 0.11 3.69 7.32 0.00 -1.26 -5.13 105.19 109.50 2d8m n GLY 125 Ca -0.07 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.00 4.27 0.02 1.61 0.04 -1.26 -5.02 135.00 132.66 2d8m s PRO 126 Ca 0.30 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.37 2d8m s PRO 126 Cb -0.00 -3.59 -0.02 0.00 0.04 0.00 0.00 34.50 30.93 2d8m s PRO 126 CO -0.03 -0.61 -0.04 -1.12 0.04 0.00 0.00 177.00 175.24 2d8m s SER 127 N 2.00 0.43 0.55 6.66 0.01 -1.26 -5.17 113.70 116.93 2d8m s SER 127 Ca 0.65 -0.45 0.06 0.00 1.31 0.00 0.00 55.95 57.53 2d8m s SER 127 Cb -0.33 0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.03 2d8m s SER 127 CO 0.27 -0.22 0.76 -0.44 0.41 0.00 0.00 173.24 174.02 2d8m s SER 128 N -1.29 5.16 0.00 2.44 0.01 -1.26 -5.34 113.70 113.41 2d8m s SER 128 Ca -0.12 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2d8m s SER 128 Cb -0.09 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.92 2d8m s SER 128 CO -0.00 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 173.02