#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 4.26 -0.45 1.61 1.04 -1.26 -5.09 113.70 113.81 2d8m s SER 2 Ca 0.00 -0.25 -0.08 0.00 0.48 0.00 0.00 55.95 56.10 2d8m s SER 2 Cb 0.00 -0.88 0.11 0.00 0.10 0.00 0.00 66.02 65.35 2d8m s SER 2 CO 0.00 0.28 0.30 -0.44 0.98 0.00 0.00 173.24 174.36 2d8m s SER 3 N -1.37 5.60 -0.15 7.02 0.01 -1.26 -5.07 113.70 118.49 2d8m s SER 3 Ca 0.16 -1.86 -0.01 0.00 1.31 0.00 0.00 55.95 55.55 2d8m s SER 3 Cb -0.11 -1.97 -0.01 0.00 0.21 0.00 0.00 66.02 64.14 2d8m s SER 3 CO 0.06 -0.64 -0.11 -0.83 0.41 0.00 0.00 173.24 172.13 2d8m s GLY 4 N 2.42 1.56 0.14 3.44 0.00 -1.26 -5.10 107.32 108.52 2d8m s GLY 4 Ca 0.06 -0.95 -0.15 0.00 0.00 0.00 0.00 44.72 43.68 2d8m s GLY 4 CO -0.01 -0.04 0.39 -1.35 0.00 0.00 0.00 173.10 172.09 2d8m s SER 5 N 0.61 -0.17 -0.21 1.64 1.04 -1.26 -5.09 113.70 110.26 2d8m s SER 5 Ca -0.07 -0.46 -0.16 0.00 0.48 0.00 0.00 55.95 55.75 2d8m s SER 5 Cb -0.15 0.48 -0.10 0.00 0.10 0.00 0.00 66.02 66.34 2d8m s SER 5 CO 0.03 -0.89 -0.19 -1.20 0.98 0.00 0.00 173.24 171.96 2d8m n SER 6 N -0.23 1.90 -2.85 7.02 7.64 -1.26 -5.07 113.62 120.78 2d8m n SER 6 Ca -0.13 0.41 -0.06 0.00 1.01 0.00 0.00 58.87 60.10 2d8m n SER 6 Cb 0.63 -0.84 0.01 0.00 -1.01 0.00 0.00 64.21 63.00 2d8m n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8m n GLY 7 N 1.42 -1.28 3.00 0.23 0.00 -1.26 -4.99 105.19 102.31 2d8m n GLY 7 Ca -0.30 1.04 -0.32 0.00 0.00 0.00 0.00 46.02 46.44 2d8m n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2d8m s GLU 8 N -2.65 2.23 0.66 1.61 0.41 -1.26 -5.10 118.70 114.60 2d8m s GLU 8 Ca 0.19 -2.64 -0.15 0.00 -0.41 0.00 0.00 54.97 51.95 2d8m s GLU 8 Cb -0.05 -3.48 -0.00 0.00 -1.78 0.00 0.00 34.13 28.82 2d8m s GLU 8 CO 0.74 -1.14 1.11 -1.25 -0.49 0.00 0.00 175.26 174.23 2d8m s PRO 9 N -0.29 2.80 -0.52 0.39 0.04 -1.26 -4.99 135.00 131.17 2d8m s PRO 9 Ca 0.18 1.39 -0.20 0.00 0.04 0.00 0.00 61.00 62.41 2d8m s PRO 9 Cb -0.23 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.42 2d8m s PRO 9 CO -0.02 -1.25 0.66 1.03 0.04 0.00 0.00 177.00 177.46 2d8m s ARG 10 N -4.09 3.13 -0.19 4.56 0.52 -1.26 -5.01 118.95 116.61 2d8m s ARG 10 Ca 0.67 -0.88 -0.17 0.00 -0.52 0.00 0.00 55.73 54.82 2d8m s ARG 10 Cb -0.21 -4.11 0.05 0.00 0.52 0.00 0.00 34.95 31.20 2d8m s ARG 10 CO 0.41 -1.28 0.51 0.50 0.02 0.00 0.00 175.30 175.46 2d8m s ARG 11 N 2.75 0.59 0.29 3.54 3.52 -1.26 -5.03 118.95 123.35 2d8m s ARG 11 Ca 0.16 0.72 0.25 0.00 -0.13 0.00 0.00 55.73 56.72 2d8m s ARG 11 Cb -0.19 0.28 1.03 0.00 -1.56 0.00 0.00 34.95 34.51 2d8m s ARG 11 CO 0.12 -0.07 1.74 -1.00 -0.81 0.00 0.00 175.30 175.28 2d8m h PRO 12 N 5.42 0.00 -7.23 5.12 0.13 -2.06 -3.44 132.00 129.92 2d8m h PRO 12 Ca -0.28 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.35 2d8m h PRO 12 Cb 1.18 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.35 2d8m h PRO 12 CO 0.19 0.00 0.35 0.50 -0.23 0.00 0.00 178.00 178.81 2d8m s ARG 13 N -3.36 3.67 -0.43 0.86 3.52 -1.26 -4.97 118.95 116.99 2d8m s ARG 13 Ca 0.04 0.69 0.01 0.00 -0.13 0.00 0.00 55.73 56.34 2d8m s ARG 13 Cb 0.09 -2.15 0.42 0.00 -1.56 0.00 0.00 34.95 31.75 2d8m s ARG 13 CO 0.40 -0.42 1.87 0.00 -0.81 0.00 0.00 175.30 176.34 2d8m n ALA 14 N -2.35 5.33 -0.79 6.12 0.00 -1.26 -5.00 120.51 122.55 2d8m n ALA 14 Ca 0.05 -2.42 0.00 0.00 0.00 0.00 0.00 53.44 51.07 2d8m n ALA 14 Cb 0.54 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.54 -3.59 0.00 0.00 0.00 -1.26 -3.85 105.19 95.95 2d8m n GLY 15 Ca 0.47 -1.02 0.08 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.62 0.44 -0.07 1.61 -0.04 -1.26 -3.42 135.00 130.65 2d8m n PRO 16 Ca 0.00 0.02 -0.05 0.00 -0.04 0.00 0.00 63.50 63.43 2d8m n PRO 16 Cb 0.14 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.09 2d8m n PRO 16 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2d8m n GLU 17 N -1.04 0.43 -0.27 0.54 2.13 -1.26 -2.99 120.64 118.18 2d8m n GLU 17 Ca 0.11 0.41 0.25 0.00 0.66 0.00 0.00 57.16 58.59 2d8m n GLU 17 Cb 0.06 -1.52 0.45 0.00 0.27 0.00 0.00 31.44 30.70 2d8m n GLU 17 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2d8m n GLU 18 N -4.35 -0.04 0.06 5.31 -0.58 -1.22 0.19 120.64 120.01 2d8m n GLU 18 Ca -0.08 0.99 -0.22 0.00 -0.42 0.00 0.00 57.16 57.42 2d8m n GLU 18 Cb 0.30 -1.82 -0.15 0.00 -0.57 0.00 0.00 31.44 29.21 2d8m n GLU 18 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2d8m h LEU 19 N 0.00 0.55 -2.41 -4.62 -0.00 -1.76 -3.31 115.31 103.77 2d8m h LEU 19 Ca 0.63 -0.91 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 2d8m h LEU 19 Cb 1.78 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 42.25 2d8m h LEU 19 CO -0.50 1.67 0.10 1.23 -0.00 0.00 0.00 178.44 180.94 2d8m h GLY 20 N 0.25 0.00 -0.85 0.83 0.00 0.34 0.33 103.07 103.97 2d8m h GLY 20 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2d8m h GLY 20 CO 0.15 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.97 2d8m n LYS 21 N -2.86 1.73 -0.08 4.80 4.76 -0.05 -3.14 118.16 123.32 2d8m n LYS 21 Ca -0.02 -1.11 -0.10 0.00 -2.87 0.00 0.00 58.31 54.21 2d8m n LYS 21 Cb 0.16 -1.38 -0.04 0.00 -1.84 0.00 0.00 35.03 31.93 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 0.34 1.46 -1.81 -0.18 5.41 0.12 -4.58 119.36 120.11 2d8m n ILE 22 Ca 0.16 0.13 -0.30 0.00 1.00 0.00 0.00 62.75 63.74 2d8m n ILE 22 Cb 0.33 -2.30 0.04 0.00 -0.71 0.00 0.00 39.64 36.99 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 6.16 -4.58 1.39 4.77 0.26 -4.86 117.00 115.61 2d8m n LEU 23 Ca -0.15 -4.64 -0.41 0.00 -0.03 0.00 0.00 56.01 50.78 2d8m n LEU 23 Cb 0.43 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2d8m n LEU 23 CO 0.14 1.86 1.60 -1.58 -1.33 0.00 0.00 177.39 178.08 2d8m s GLN 24 N -3.72 2.94 0.00 3.23 0.74 -1.19 -2.44 119.66 119.23 2d8m s GLN 24 Ca 0.56 1.09 0.00 0.00 0.05 0.00 0.00 55.36 57.06 2d8m s GLN 24 Cb 0.45 -4.31 0.00 0.00 1.10 0.00 0.00 33.01 30.25 2d8m s GLN 24 CO -0.04 -2.33 0.00 0.41 -0.55 0.00 0.00 175.29 172.78 2d8m n GLY 25 N 5.58 1.99 3.26 2.59 0.00 -1.26 -5.09 105.19 112.26 2d8m n GLY 25 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 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 1.63 -0.17 1.61 1.01 -1.02 -5.06 120.40 116.40 2d8m s VAL 26 Ca 0.00 -1.37 -0.00 0.00 0.00 0.00 0.00 61.98 60.60 2d8m s VAL 26 Cb 0.00 -1.46 0.04 0.00 0.00 0.00 0.00 36.38 34.96 2d8m s VAL 26 CO 0.00 0.03 -0.06 -0.69 0.00 0.00 0.00 175.10 174.39 2d8m s VAL 27 N -1.01 1.16 0.32 2.92 1.01 -1.26 0.22 120.40 123.75 2d8m s VAL 27 Ca 0.06 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.44 2d8m s VAL 27 Cb -0.09 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 2d8m s VAL 27 CO 0.03 0.13 0.34 0.68 0.00 0.00 0.00 175.10 176.28 2d8m s VAL 28 N 1.61 3.99 -0.02 2.92 -7.23 -0.34 -2.09 120.40 119.24 2d8m s VAL 28 Ca 0.00 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 2d8m s VAL 28 Cb -0.15 -3.35 0.02 0.00 0.56 0.00 0.00 36.38 33.46 2d8m s VAL 28 CO -0.08 -0.21 0.02 -0.69 -0.31 0.00 0.00 175.10 173.84 2d8m s VAL 29 N -2.21 -0.00 -0.30 1.32 1.01 -1.18 -3.08 120.40 115.95 2d8m s VAL 29 Ca 0.41 0.16 -0.23 0.00 0.00 0.00 0.00 61.98 62.32 2d8m s VAL 29 Cb -0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 36.38 36.19 2d8m s VAL 29 CO 0.28 0.09 0.76 -0.76 0.00 0.00 0.00 175.10 175.46 2d8m s LEU 30 N 0.90 4.10 -0.16 3.92 1.43 -1.26 -1.25 118.68 126.36 2d8m s LEU 30 Ca -0.08 0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 53.61 2d8m s LEU 30 Cb -0.11 -3.03 0.07 0.00 0.03 0.00 0.00 46.19 43.15 2d8m s LEU 30 CO -0.02 -0.58 0.16 -0.55 0.23 0.00 0.00 176.35 175.59 2d8m s SER 31 N 1.61 1.54 0.00 2.29 0.15 -1.19 -4.87 113.70 113.23 2d8m s SER 31 Ca 0.31 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.74 2d8m s SER 31 Cb -0.14 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 2d8m s SER 31 CO 0.12 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.86 2d8m n GLY 32 N 5.31 1.29 3.29 9.45 0.00 -1.26 -4.05 105.19 119.21 2d8m n GLY 32 Ca -0.06 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 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 1.67 0.15 1.61 0.08 -1.26 -4.65 117.98 113.45 2d8m s PHE 33 Ca 0.00 -0.48 0.11 0.00 0.12 0.00 0.00 56.93 56.68 2d8m s PHE 33 Cb 0.00 -0.87 -0.04 0.00 -0.57 0.00 0.00 43.02 41.54 2d8m s PHE 33 CO 0.00 0.24 -0.24 -0.65 -0.10 0.00 0.00 175.22 174.47 2d8m s GLN 34 N -2.49 1.54 0.51 0.44 1.11 -1.26 -4.86 119.66 114.64 2d8m s GLN 34 Ca 0.11 -1.37 -0.04 0.00 0.01 0.00 0.00 55.36 54.07 2d8m s GLN 34 Cb -0.07 -1.94 -0.01 0.00 -1.01 0.00 0.00 33.01 29.99 2d8m s GLN 34 CO 0.05 0.44 0.79 0.54 0.01 0.00 0.00 175.29 177.11 2d8m s ASN 35 N -2.30 5.91 0.40 5.90 4.22 -1.26 0.70 114.94 128.51 2d8m s ASN 35 Ca 0.17 0.67 0.19 0.00 -2.14 0.00 0.00 52.86 51.75 2d8m s ASN 35 Cb -0.09 -1.86 0.84 0.00 1.28 0.00 0.00 41.25 41.42 2d8m s ASN 35 CO 0.08 -0.77 1.82 1.55 -2.04 0.00 0.00 177.10 177.74 2d8m h PRO 36 N 0.15 0.00 -0.46 3.55 0.13 -2.02 -3.44 132.00 129.91 2d8m h PRO 36 Ca -0.46 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.76 2d8m h PRO 36 Cb 1.24 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.28 2d8m h PRO 36 CO 0.60 0.32 -0.12 0.34 -0.23 0.00 0.00 178.00 178.92 2d8m n PHE 37 N -3.67 0.15 0.01 1.56 7.35 -1.15 0.12 117.46 121.84 2d8m n PHE 37 Ca -0.01 0.56 -0.15 0.00 -0.76 0.00 0.00 57.45 57.09 2d8m n PHE 37 Cb 0.43 -0.76 -0.09 0.00 0.35 0.00 0.00 39.48 39.41 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 -0.57 -0.87 -4.13 2.43 -0.03 0.78 114.38 111.99 2d8m h ARG 38 Ca 0.22 0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.53 2d8m h ARG 38 Cb 0.33 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 2d8m h ARG 38 CO -0.47 -0.38 0.56 0.66 -1.51 0.00 0.00 179.97 178.83 2d8m h SER 39 N -0.59 0.74 -0.61 -3.80 4.64 0.68 -1.21 113.55 113.39 2d8m h SER 39 Ca 0.04 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 2d8m h SER 39 Cb 0.69 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 2d8m h SER 39 CO -0.41 0.42 0.32 -0.08 -0.87 0.00 0.00 176.83 176.20 2d8m h GLU 40 N 0.80 0.87 0.11 4.77 4.57 -0.16 -2.83 114.58 122.72 2d8m h GLU 40 Ca 0.42 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.48 2d8m h GLU 40 Cb 0.50 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2d8m h GLU 40 CO -0.18 0.68 -0.05 1.25 -1.18 0.00 0.00 179.01 179.53 2d8m h LEU 41 N 0.84 -0.13 -0.58 1.64 5.85 0.29 -2.96 115.31 120.26 2d8m h LEU 41 Ca 0.21 -0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.01 2d8m h LEU 41 Cb 0.08 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.03 2d8m h LEU 41 CO -0.03 -0.05 -0.23 -0.09 -0.34 0.00 0.00 178.44 177.70 2d8m h ARG 42 N -0.19 -0.08 -0.33 1.25 2.43 -1.29 -0.51 114.38 115.65 2d8m h ARG 42 Ca -0.02 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 2d8m h ARG 42 Cb 0.15 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.64 2d8m h ARG 42 CO 0.03 -0.05 -0.31 0.22 -1.51 0.00 0.00 179.97 178.35 2d8m h ASP 43 N -0.08 -1.00 -0.78 -3.80 1.82 -1.35 0.33 116.42 111.55 2d8m h ASP 43 Ca 0.27 0.17 0.08 0.00 -0.39 0.00 0.00 57.03 57.15 2d8m h ASP 43 Cb 0.50 0.46 -0.06 0.00 0.68 0.00 0.00 39.33 40.91 2d8m h ASP 43 CO -0.64 -0.32 0.45 0.11 -1.61 0.00 0.00 179.24 177.24 2d8m h LYS 44 N -0.27 0.78 -0.39 0.28 1.57 -1.06 -0.97 116.57 116.51 2d8m h LYS 44 Ca 0.16 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2d8m h LYS 44 Cb 0.52 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2d8m h LYS 44 CO -0.48 0.51 -0.06 0.00 -0.57 0.00 0.00 179.45 178.85 2d8m h ALA 45 N 1.41 1.17 -0.26 3.86 0.00 0.37 -2.99 119.26 122.82 2d8m h ALA 45 Ca 0.36 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2d8m h ALA 45 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2d8m h ALA 45 CO -0.21 0.53 0.00 -0.07 0.00 0.00 0.00 179.25 179.51 2d8m h LEU 46 N 0.61 0.45 -0.32 0.00 3.38 0.77 -2.26 115.31 117.93 2d8m h LEU 46 Ca 0.12 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 57.85 2d8m h LEU 46 Cb 0.48 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 2d8m h LEU 46 CO 0.02 0.64 -0.30 -0.33 0.09 0.00 0.00 178.44 178.57 2d8m h GLU 47 N 0.23 -0.26 0.00 1.13 4.39 -1.09 0.54 114.58 119.52 2d8m h GLU 47 Ca 0.07 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2d8m h GLU 47 Cb 0.41 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2d8m h GLU 47 CO 0.01 -0.18 0.26 -0.07 -1.16 0.00 0.00 179.01 177.88 2d8m h LEU 48 N -0.27 0.00 0.00 1.33 3.38 -1.53 -1.22 115.31 117.00 2d8m h LEU 48 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2d8m h LEU 48 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2d8m h LEU 48 CO -0.47 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.67 2d8m n GLY 49 N -1.27 0.93 3.86 0.83 0.00 0.19 -0.58 105.19 109.15 2d8m n GLY 49 Ca -0.01 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 3.16 0.32 4.61 0.00 -0.86 -4.28 121.76 122.72 2d8m s ALA 50 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.85 2d8m s ALA 50 Cb 0.00 -2.98 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 2d8m s ALA 50 CO 0.00 -0.38 0.60 0.21 0.00 0.00 0.00 175.76 176.19 2d8m s LYS 51 N -4.52 3.64 -0.19 0.00 2.47 0.13 -4.33 119.74 116.95 2d8m s LYS 51 Ca 0.55 0.07 0.01 0.00 -1.56 0.00 0.00 55.97 55.04 2d8m s LYS 51 Cb -0.10 -2.59 0.03 0.00 -1.46 0.00 0.00 37.83 33.71 2d8m s LYS 51 CO 0.41 0.14 -0.15 -0.47 0.16 0.00 0.00 175.35 175.45 2d8m s TYR 52 N -2.18 2.59 0.03 4.03 5.04 -1.26 -1.20 117.35 124.39 2d8m s TYR 52 Ca 0.45 -1.62 0.09 0.00 -2.44 0.00 0.00 57.07 53.55 2d8m s TYR 52 Cb -0.11 -1.76 -0.03 0.00 0.35 0.00 0.00 41.96 40.42 2d8m s TYR 52 CO 0.31 -0.77 -0.26 1.03 -1.34 0.00 0.00 175.55 174.52 2d8m s ARG 53 N 1.34 1.87 0.48 4.97 1.81 -1.18 -5.02 118.95 123.23 2d8m s ARG 53 Ca 0.01 -1.07 0.27 0.00 -1.72 0.00 0.00 55.73 53.23 2d8m s ARG 53 Cb -0.15 -1.99 1.14 0.00 -0.45 0.00 0.00 34.95 33.50 2d8m s ARG 53 CO -0.10 0.52 1.92 -1.00 -0.68 0.00 0.00 175.30 175.96 2d8m h PRO 54 N 4.96 0.00 -3.49 3.54 0.13 -1.95 -3.38 132.00 131.82 2d8m h PRO 54 Ca -0.46 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 2d8m h PRO 54 Cb 1.14 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.12 2d8m h PRO 54 CO 0.44 0.16 -0.22 0.16 -0.23 0.00 0.00 178.00 178.31 2d8m s ASP 55 N -6.06 -0.09 0.04 1.44 1.47 -1.26 -4.92 116.67 107.30 2d8m s ASP 55 Ca -0.00 -0.38 -0.30 0.00 1.18 0.00 0.00 52.55 53.05 2d8m s ASP 55 Cb 0.11 0.39 -0.09 0.00 -0.34 0.00 0.00 42.92 42.99 2d8m s ASP 55 CO 0.60 -0.73 1.94 0.86 0.68 0.00 0.00 175.17 178.51 2d8m s TRP 56 N -3.40 1.40 0.47 2.11 -0.11 -1.26 -4.96 118.94 113.19 2d8m s TRP 56 Ca 0.01 -0.39 0.02 0.00 1.22 0.00 0.00 56.10 56.97 2d8m s TRP 56 Cb 0.02 -4.22 -0.01 0.00 -1.50 0.00 0.00 33.47 27.76 2d8m s TRP 56 CO -0.09 -5.42 0.08 -0.08 -4.62 0.00 0.00 176.95 166.82 2d8m s THR 57 N 4.28 0.74 -0.26 5.86 -1.32 -1.26 -4.99 115.64 118.69 2d8m s THR 57 Ca 0.87 -2.00 0.25 0.00 -1.21 0.00 0.00 61.69 59.60 2d8m s THR 57 Cb -0.42 -2.17 0.26 0.00 -1.51 0.00 0.00 72.50 68.66 2d8m s THR 57 CO 0.40 0.00 1.76 -0.09 -2.21 0.00 0.00 174.62 174.48 2d8m h ARG 58 N 1.52 0.00 0.00 7.08 2.43 -2.05 -1.21 114.38 122.16 2d8m h ARG 58 Ca -0.38 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 2d8m h ARG 58 Cb 1.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 2d8m h ARG 58 CO 0.63 0.00 -0.97 -3.47 -1.51 0.00 0.00 179.97 174.65 2d8m n ASP 59 N -2.37 0.67 -4.66 -3.80 -0.08 -1.26 -4.87 116.55 100.18 2d8m n ASP 59 Ca 0.00 0.07 -0.43 0.00 -1.51 0.00 0.00 54.79 52.93 2d8m n ASP 59 Cb 0.16 0.58 -0.02 0.00 2.34 0.00 0.00 41.12 44.17 2d8m n ASP 59 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2d8m s SER 60 N -4.50 6.81 -0.23 1.67 0.01 -0.46 -4.41 113.70 112.58 2d8m s SER 60 Ca 0.02 1.98 0.03 0.00 1.31 0.00 0.00 55.95 59.29 2d8m s SER 60 Cb 0.13 -2.54 -0.16 0.00 0.21 0.00 0.00 66.02 63.65 2d8m s SER 60 CO 0.78 -0.83 -0.19 0.35 0.41 0.00 0.00 173.24 173.76 2d8m n THR 61 N 5.35 1.36 -4.57 1.44 -2.24 -0.89 -4.84 114.28 109.90 2d8m n THR 61 Ca 0.15 -0.55 -0.21 0.00 -2.27 0.00 0.00 64.05 61.17 2d8m n THR 61 Cb 0.44 -1.27 -0.15 0.00 -2.10 0.00 0.00 70.33 67.25 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 -2.48 1.20 -0.23 4.78 3.76 -1.01 -2.33 115.29 118.98 2d8m s HIS 62 Ca -0.30 -0.25 -0.06 0.00 -0.15 0.00 0.00 55.06 54.30 2d8m s HIS 62 Cb 0.08 -0.76 -0.02 0.00 1.11 0.00 0.00 32.58 32.99 2d8m s HIS 62 CO 0.57 -0.01 0.03 -1.17 -0.85 0.00 0.00 174.74 173.31 2d8m s LEU 63 N -0.44 3.29 -1.00 0.89 2.96 -0.56 -3.12 118.68 120.69 2d8m s LEU 63 Ca 0.05 -0.24 -0.23 0.00 -0.22 0.00 0.00 54.13 53.49 2d8m s LEU 63 Cb -0.06 -1.87 0.06 0.00 0.50 0.00 0.00 46.19 44.83 2d8m s LEU 63 CO -0.00 -0.01 1.40 -0.63 -1.32 0.00 0.00 176.35 175.79 2d8m s ILE 64 N 1.47 4.02 0.36 6.68 -1.09 -0.38 -1.91 121.20 130.35 2d8m s ILE 64 Ca 0.05 -0.83 0.01 0.00 -2.23 0.00 0.00 60.65 57.66 2d8m s ILE 64 Cb -0.15 -5.02 -0.03 0.00 -1.58 0.00 0.00 42.46 35.69 2d8m s ILE 64 CO 0.02 -1.88 0.56 0.00 -1.23 0.00 0.00 174.94 172.41 2d8m n ALA 66 N -1.81 1.48 -3.49 0.00 0.00 -1.26 -1.25 120.51 114.18 2d8m n ALA 66 Ca -0.04 -1.09 -0.15 0.00 0.00 0.00 0.00 53.44 52.16 2d8m n ALA 66 Cb 0.57 -0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 2d8m n ALA 66 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2d8m s PHE 67 N -2.49 -0.59 1.02 0.00 -0.12 -1.26 -4.79 117.98 109.75 2d8m s PHE 67 Ca -0.29 0.79 -0.17 0.00 -0.05 0.00 0.00 56.93 57.21 2d8m s PHE 67 Cb 0.08 0.47 0.26 0.00 -0.63 0.00 0.00 43.02 43.20 2d8m s PHE 67 CO 0.61 -0.68 0.74 0.00 -0.05 0.00 0.00 175.22 175.84 2d8m n ALA 68 N 0.40 -3.29 -3.58 1.99 0.00 -1.26 -4.23 120.51 110.54 2d8m n ALA 68 Ca -0.18 -1.19 -0.23 0.00 0.00 0.00 0.00 53.44 51.84 2d8m n ALA 68 Cb 0.60 -0.09 0.08 0.00 0.00 0.00 0.00 19.45 20.04 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 -4.79 -5.56 -4.50 0.00 3.02 -1.26 -5.01 115.26 97.16 2d8m n ASN 69 Ca 0.11 -0.56 -0.24 0.00 -0.03 0.00 0.00 54.58 53.85 2d8m n ASN 69 Cb 0.45 -5.02 -0.10 0.00 -0.61 0.00 0.00 39.78 34.50 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 2.70 0.32 3.41 -4.23 -1.26 -5.04 115.64 108.21 2d8m s THR 70 Ca 0.48 -2.20 0.12 0.00 -1.18 0.00 0.00 61.69 58.92 2d8m s THR 70 Cb -0.21 -2.40 0.05 0.00 1.34 0.00 0.00 72.50 71.28 2d8m s THR 70 CO 0.73 -0.33 1.74 1.55 -0.54 0.00 0.00 174.62 177.77 2d8m h PRO 71 N 2.40 0.00 0.00 3.99 0.13 -1.95 -3.03 132.00 133.54 2d8m h PRO 71 Ca -0.42 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.49 2d8m h PRO 71 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 2d8m h PRO 71 CO 0.58 0.47 -1.27 -0.22 -0.23 0.00 0.00 178.00 177.33 2d8m h LYS 72 N 0.00 0.00 0.84 0.86 1.63 -1.97 -3.24 116.57 114.69 2d8m h LYS 72 Ca -0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.75 2d8m h LYS 72 Cb 0.85 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.49 2d8m h LYS 72 CO 0.06 0.57 -0.40 -0.92 -3.45 0.00 0.00 179.45 175.31 2d8m h TYR 73 N 0.00 -1.05 -0.15 1.91 5.03 -1.90 -1.95 116.97 118.87 2d8m h TYR 73 Ca -0.14 -0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.17 2d8m h TYR 73 Cb 1.75 0.35 -0.03 0.00 1.55 0.00 0.00 36.73 40.35 2d8m h TYR 73 CO 0.00 -0.64 -0.04 1.03 -1.32 0.00 0.00 178.16 177.19 2d8m h SER 74 N -1.20 -0.15 -0.11 -2.11 0.87 -1.71 -1.11 113.55 108.03 2d8m h SER 74 Ca -0.12 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.51 2d8m h SER 74 Cb 0.87 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.89 2d8m h SER 74 CO 0.19 -0.05 -0.30 -0.61 -0.53 0.00 0.00 176.83 175.52 2d8m h GLN 75 N -0.01 -0.29 0.00 2.24 5.75 -1.58 0.37 115.11 121.60 2d8m h GLN 75 Ca 0.07 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 2d8m h GLN 75 Cb 0.11 0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.73 2d8m h GLN 75 CO -0.16 -0.19 0.01 0.28 -2.65 0.00 0.00 178.83 176.13 2d8m n VAL 76 N -4.15 1.00 0.02 2.39 0.31 -0.74 -1.69 118.33 115.47 2d8m n VAL 76 Ca -0.03 0.75 -0.07 0.00 -0.01 0.00 0.00 64.34 64.98 2d8m n VAL 76 Cb 0.20 -1.75 -0.05 0.00 -0.91 0.00 0.00 33.84 31.34 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 -0.14 -0.96 7.52 6.46 0.97 -1.08 115.31 128.08 2d8m h LEU 77 Ca 0.00 -0.26 -0.08 0.00 -0.12 0.00 0.00 57.88 57.42 2d8m h LEU 77 Cb 0.03 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 2d8m h LEU 77 CO 0.00 0.45 -0.16 1.23 -0.62 0.00 0.00 178.44 179.34 2d8m h GLY 78 N -0.99 0.62 0.65 3.75 0.00 -0.65 -2.90 103.07 103.55 2d8m h GLY 78 Ca -0.02 -0.46 0.10 0.00 0.00 0.00 0.00 47.33 46.94 2d8m h GLY 78 CO 0.03 0.43 0.62 1.41 0.00 0.00 0.00 176.54 179.02 2d8m h LEU 79 N 0.52 0.91 0.00 3.11 3.38 -1.46 -3.46 115.31 118.32 2d8m h LEU 79 Ca 0.09 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2d8m h LEU 79 Cb 0.57 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2d8m h LEU 79 CO 0.04 0.53 0.00 0.61 0.09 0.00 0.00 178.44 179.71 2d8m n GLY 80 N -1.38 1.38 3.84 0.83 0.00 -1.09 -5.11 105.19 103.67 2d8m n GLY 80 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 2.27 -0.54 -0.02 0.00 -0.41 -5.03 107.32 101.58 2d8m s GLY 81 Ca 0.00 -1.78 -0.17 0.00 0.00 0.00 0.00 44.72 42.77 2d8m s GLY 81 CO 0.00 -1.83 0.55 -1.60 0.00 0.00 0.00 173.10 170.22 2d8m s ARG 82 N -4.10 3.01 -0.37 2.90 3.52 -0.98 -4.68 118.95 118.25 2d8m s ARG 82 Ca 0.42 -1.48 -0.27 0.00 -0.13 0.00 0.00 55.73 54.27 2d8m s ARG 82 Cb -0.01 -4.25 0.02 0.00 -1.56 0.00 0.00 34.95 29.15 2d8m s ARG 82 CO 0.24 -1.34 0.99 0.42 -0.81 0.00 0.00 175.30 174.81 2d8m s ILE 83 N 2.00 4.52 0.33 4.11 1.01 -1.21 -1.50 121.20 130.45 2d8m s ILE 83 Ca 0.06 1.32 0.06 0.00 0.00 0.00 0.00 60.65 62.09 2d8m s ILE 83 Cb -0.27 -4.39 -0.07 0.00 0.01 0.00 0.00 42.46 37.75 2d8m s ILE 83 CO 0.05 -0.59 0.00 0.68 0.00 0.00 0.00 174.94 175.09 2d8m s VAL 84 N 3.65 1.56 0.88 2.92 -7.23 -0.80 -0.04 120.40 121.34 2d8m s VAL 84 Ca 0.41 -2.05 -0.13 0.00 -1.81 0.00 0.00 61.98 58.40 2d8m s VAL 84 Cb -0.11 -2.72 0.16 0.00 0.56 0.00 0.00 36.38 34.26 2d8m s VAL 84 CO 0.20 -0.11 1.23 -0.13 -0.31 0.00 0.00 175.10 175.98 2d8m s ARG 85 N -3.79 1.16 0.10 4.82 3.00 -0.83 -0.85 118.95 122.57 2d8m s ARG 85 Ca 0.34 -0.37 0.27 0.00 0.00 0.00 0.00 55.73 55.97 2d8m s ARG 85 Cb 0.07 -1.95 0.99 0.00 0.00 0.00 0.00 34.95 34.06 2d8m s ARG 85 CO 0.15 -2.04 1.83 0.36 0.00 0.00 0.00 175.30 175.60 2d8m n LYS 86 N -3.50 0.14 0.04 3.54 2.85 -0.38 -3.41 118.16 117.44 2d8m n LYS 86 Ca 0.13 0.11 -0.06 0.00 -1.05 0.00 0.00 58.31 57.44 2d8m n LYS 86 Cb 0.60 -1.65 0.13 0.00 -0.65 0.00 0.00 35.03 33.46 2d8m n LYS 86 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2d8m h GLU 87 N 0.00 0.40 0.00 -1.58 4.39 -1.93 -2.61 114.58 113.25 2d8m h GLU 87 Ca 0.00 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.48 2d8m h GLU 87 Cb 0.62 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2d8m h GLU 87 CO 0.00 0.80 0.00 1.87 -1.16 0.00 0.00 179.01 180.52 2d8m n TRP 88 N -3.98 0.00 0.02 4.33 -0.00 -1.22 0.25 117.44 116.84 2d8m n TRP 88 Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.37 2d8m n TRP 88 Cb 0.55 -0.45 -0.05 0.00 -0.00 0.00 0.00 31.31 31.35 2d8m n TRP 88 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 177.69 177.45 2d8m h VAL 89 N 0.00 0.86 -0.90 5.87 3.04 -1.78 0.64 116.25 123.98 2d8m h VAL 89 Ca 0.00 0.00 0.22 0.00 -1.01 0.00 0.00 66.70 65.91 2d8m h VAL 89 Cb 0.00 0.86 -0.13 0.00 -2.01 0.00 0.00 31.29 30.02 2d8m h VAL 89 CO 0.00 0.00 0.39 -0.07 -1.01 0.00 0.00 177.57 176.88 2d8m h LEU 90 N -0.06 0.31 0.21 3.16 3.38 -1.35 -1.59 115.31 119.38 2d8m h LEU 90 Ca 0.04 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2d8m h LEU 90 Cb 0.11 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2d8m h LEU 90 CO -0.09 -0.02 -0.10 0.44 0.09 0.00 0.00 178.44 178.76 2d8m h ASP 91 N 0.38 -0.24 -0.91 -0.43 5.19 0.32 -2.52 116.42 118.21 2d8m h ASP 91 Ca 0.56 -0.22 0.36 0.00 -0.62 0.00 0.00 57.03 57.11 2d8m h ASP 91 Cb 1.08 0.06 -0.17 0.00 0.18 0.00 0.00 39.33 40.49 2d8m h ASP 91 CO -0.54 0.29 0.40 0.00 -3.12 0.00 0.00 179.24 176.27 2d8m h HIS 93 N 0.00 -0.29 -0.84 0.00 -0.00 -1.37 0.59 115.15 113.25 2d8m h HIS 93 Ca 0.73 -0.01 0.14 0.00 -0.00 0.00 0.00 60.37 61.24 2d8m h HIS 93 Cb 1.88 0.10 -0.15 0.00 -0.00 0.00 0.00 27.41 29.24 2d8m h HIS 93 CO -0.10 0.02 -0.34 -0.09 -0.00 0.00 0.00 177.93 177.43 2d8m h ARG 94 N -0.99 -0.05 0.00 5.26 9.65 0.07 0.44 114.38 128.76 2d8m h ARG 94 Ca -0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2d8m h ARG 94 Cb 0.44 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 2d8m h ARG 94 CO 0.05 -0.04 -0.36 0.52 2.80 0.00 0.00 179.97 182.95 2d8m h MET 95 N -0.05 0.00 -5.45 0.20 2.86 -0.88 -3.48 114.93 108.13 2d8m h MET 95 Ca 0.32 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.61 2d8m h MET 95 Cb 0.59 0.00 0.14 0.00 0.06 0.00 0.00 31.60 32.39 2d8m h MET 95 CO -0.87 0.00 -0.65 0.54 1.06 0.00 0.00 176.91 176.99 2d8m n ARG 96 N -2.89 -7.09 -4.09 1.72 1.74 0.19 -5.01 116.66 101.24 2d8m n ARG 96 Ca 0.03 0.77 -0.10 0.00 -0.77 0.00 0.00 57.85 57.78 2d8m n ARG 96 Cb 0.53 -5.62 -0.09 0.00 -1.02 0.00 0.00 32.46 26.25 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 -5.99 0.98 -0.24 5.56 1.70 -0.46 -4.96 118.95 115.54 2d8m s ARG 97 Ca 0.42 -1.36 -0.24 0.00 -0.47 0.00 0.00 55.73 54.08 2d8m s ARG 97 Cb -0.18 0.28 -0.01 0.00 -0.57 0.00 0.00 34.95 34.47 2d8m s ARG 97 CO 0.67 -0.30 0.82 0.50 -1.08 0.00 0.00 175.30 175.91 2d8m s ARG 98 N -4.02 4.19 0.14 3.89 3.52 -1.26 -4.54 118.95 120.86 2d8m s ARG 98 Ca 0.22 0.93 0.07 0.00 -0.13 0.00 0.00 55.73 56.82 2d8m s ARG 98 Cb 0.06 -3.64 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 2d8m s ARG 98 CO 0.01 -0.50 -0.06 -0.51 -0.81 0.00 0.00 175.30 173.43 2d8m s LEU 99 N 2.77 3.15 -0.63 -0.88 1.43 -1.26 -5.06 118.68 118.19 2d8m s LEU 99 Ca 0.35 -0.41 -0.26 0.00 -1.03 0.00 0.00 54.13 52.77 2d8m s LEU 99 Cb -0.15 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 2d8m s LEU 99 CO 0.08 0.13 1.87 -2.16 0.23 0.00 0.00 176.35 176.50 2d8m s PRO 100 N -2.58 2.61 0.54 1.29 0.04 -1.26 -4.83 135.00 130.82 2d8m s PRO 100 Ca 0.24 0.54 0.33 0.00 0.04 0.00 0.00 61.00 62.16 2d8m s PRO 100 Cb -0.10 -4.44 1.50 0.00 0.04 0.00 0.00 34.50 31.50 2d8m s PRO 100 CO 0.16 -2.79 1.85 0.66 0.04 0.00 0.00 177.00 176.92 2d8m h SER 101 N 14.72 0.00 -0.81 6.66 4.64 -1.97 0.79 113.55 137.58 2d8m h SER 101 Ca -0.23 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.22 2d8m h SER 101 Cb 1.15 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.15 2d8m h SER 101 CO 1.22 0.00 0.41 -0.61 -0.87 0.00 0.00 176.83 176.97 2d8m h GLN 102 N 0.00 0.60 0.00 4.77 -0.00 -1.91 2.05 115.11 120.62 2d8m h GLN 102 Ca 0.46 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 59.07 2d8m h GLN 102 Cb 1.89 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 29.23 2d8m h GLN 102 CO -0.00 0.39 0.00 0.54 0.00 0.00 0.00 178.83 179.76 2d8m n ARG 103 N -4.87 0.16 0.00 1.69 1.74 0.27 -2.52 116.66 113.13 2d8m n ARG 103 Ca 0.15 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 2d8m n ARG 103 Cb 0.38 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 2d8m n ARG 103 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2d8m n TYR 104 N -1.38 0.00 -3.14 -1.55 4.02 0.19 -5.01 117.16 110.29 2d8m n TYR 104 Ca 0.07 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.57 2d8m n TYR 104 Cb 0.18 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.45 2d8m n TYR 104 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 176.86 175.37 2d8m s LEU 105 N -0.94 4.21 -0.07 7.72 0.05 0.64 -1.96 118.68 128.34 2d8m s LEU 105 Ca 0.00 0.92 -0.12 0.00 0.05 0.00 0.00 54.13 54.98 2d8m s LEU 105 Cb 0.00 -2.90 -0.08 0.00 -2.05 0.00 0.00 46.19 41.16 2d8m s LEU 105 CO 0.00 -0.18 0.48 0.24 -0.55 0.00 0.00 176.35 176.34 2d8m h MET 106 N 7.14 -0.26 -5.92 1.48 2.86 -0.76 -3.47 114.93 115.99 2d8m h MET 106 Ca -0.36 0.02 -0.57 0.00 -2.06 0.00 0.00 59.70 56.73 2d8m h MET 106 Cb 1.16 0.06 -0.14 0.00 0.06 0.00 0.00 31.60 32.74 2d8m h MET 106 CO 0.77 -0.05 -0.72 0.00 1.06 0.00 0.00 176.91 177.97 2d8m s ALA 107 N -3.34 2.64 0.00 6.32 0.00 -1.22 -5.06 121.76 121.10 2d8m s ALA 107 Ca -0.07 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 49.98 2d8m s ALA 107 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.03 2d8m s ALA 107 CO 0.23 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.53 2d8m n GLY 108 N -0.63 2.55 0.21 0.00 0.00 -1.26 -3.35 105.19 102.70 2d8m n GLY 108 Ca -0.06 -1.23 0.07 0.00 0.00 0.00 0.00 46.02 44.81 2d8m n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8m h PRO 109 N 0.00 0.00 0.00 1.61 0.13 -1.96 -3.48 132.00 128.30 2d8m h PRO 109 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2d8m h PRO 109 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2d8m h PRO 109 CO 0.00 0.30 0.00 0.41 -0.23 0.00 0.00 178.00 178.48 2d8m n GLY 110 N -0.09 3.96 1.81 1.56 0.00 -1.26 -4.93 105.19 106.25 2d8m n GLY 110 Ca -0.01 -1.12 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 2d8m n GLY 110 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d8m n SER 111 N 0.00 6.09 0.04 1.61 7.64 -1.26 -4.42 113.62 123.33 2d8m n SER 111 Ca 0.00 -2.94 -0.08 0.00 1.01 0.00 0.00 58.87 56.86 2d8m n SER 111 Cb 0.00 -1.04 -0.05 0.00 -1.01 0.00 0.00 64.21 62.11 2d8m n SER 111 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2d8m h SER 112 N 1.33 -0.18 -1.75 6.43 0.02 -2.03 -3.34 113.55 114.03 2d8m h SER 112 Ca 0.25 -0.25 -0.70 0.00 -0.84 0.00 0.00 61.79 60.25 2d8m h SER 112 Cb 0.98 0.05 -0.24 0.00 0.14 0.00 0.00 62.40 63.33 2d8m h SER 112 CO 0.63 0.38 0.94 -1.54 -1.14 0.00 0.00 176.83 176.10 2d8m n SER 113 N -4.90 7.26 -1.73 3.07 3.41 -1.26 -4.73 113.62 114.74 2d8m n SER 113 Ca -0.06 -3.64 -0.10 0.00 -0.26 0.00 0.00 58.87 54.81 2d8m n SER 113 Cb 0.21 -1.13 0.03 0.00 -0.26 0.00 0.00 64.21 63.05 2d8m n SER 113 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2d8m n GLU 114 N -0.05 1.50 -1.83 4.33 0.28 -1.26 -4.92 120.64 118.71 2d8m n GLU 114 Ca 0.52 -0.98 -0.30 0.00 -0.16 0.00 0.00 57.16 56.24 2d8m n GLU 114 Cb 0.32 -1.39 0.21 0.00 1.43 0.00 0.00 31.44 32.01 2d8m n GLU 114 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2d8m s GLU 115 N -1.14 0.11 -0.24 3.44 -1.05 -1.26 -5.05 118.70 113.51 2d8m s GLU 115 Ca 0.19 -0.48 -0.07 0.00 -0.15 0.00 0.00 54.97 54.46 2d8m s GLU 115 Cb 0.15 -1.79 -0.03 0.00 -0.44 0.00 0.00 34.13 32.02 2d8m s GLU 115 CO -0.00 -2.76 0.07 -0.51 0.95 0.00 0.00 175.26 173.01 2d8m s ASP 116 N -4.83 5.19 -0.12 0.83 1.11 -1.26 -4.98 116.67 112.61 2d8m s ASP 116 Ca 0.76 -0.18 -0.18 0.00 0.18 0.00 0.00 52.55 53.13 2d8m s ASP 116 Cb -0.03 -1.93 -0.26 0.00 1.07 0.00 0.00 42.92 41.77 2d8m s ASP 116 CO 0.54 -0.02 0.56 -0.33 1.18 0.00 0.00 175.17 177.10 2d8m h GLU 117 N 8.10 0.19 -4.12 8.23 4.39 -1.99 -3.43 114.58 125.96 2d8m h GLU 117 Ca -0.38 -0.32 -0.75 0.00 0.34 0.00 0.00 59.36 58.25 2d8m h GLU 117 Cb 1.18 0.12 -0.27 0.00 -0.10 0.00 0.00 28.75 29.68 2d8m h GLU 117 CO 0.59 1.15 -0.26 0.00 -1.16 0.00 0.00 179.01 179.33 2d8m s ALA 118 N -2.43 3.60 -0.47 3.43 0.00 -1.26 -4.93 121.76 119.69 2d8m s ALA 118 Ca -0.21 -2.65 -0.02 0.00 0.00 0.00 0.00 51.96 49.09 2d8m s ALA 118 Cb 0.04 -3.10 0.30 0.00 0.00 0.00 0.00 23.12 20.35 2d8m s ALA 118 CO 0.74 -2.01 2.07 0.45 0.00 0.00 0.00 175.76 177.01 2d8m n SER 119 N 4.91 6.97 -4.12 0.00 2.88 -1.26 -4.90 113.62 118.10 2d8m n SER 119 Ca -0.08 -3.36 -0.11 0.00 -1.33 0.00 0.00 58.87 53.99 2d8m n SER 119 Cb 0.41 -1.04 -0.09 0.00 -0.75 0.00 0.00 64.21 62.74 2d8m n SER 119 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2d8m s HIS 120 N -2.63 0.85 -1.08 0.66 3.76 -1.26 -5.08 115.29 110.51 2d8m s HIS 120 Ca 0.46 -1.14 -0.22 0.00 -0.15 0.00 0.00 55.06 54.00 2d8m s HIS 120 Cb 0.36 -0.33 -0.01 0.00 1.11 0.00 0.00 32.58 33.71 2d8m s HIS 120 CO -0.03 -0.70 1.77 0.45 -0.85 0.00 0.00 174.74 175.38 2d8m s SER 121 N -3.09 5.82 0.00 1.40 0.15 -1.26 -4.90 113.70 111.82 2d8m s SER 121 Ca 0.30 -1.47 0.00 0.00 0.70 0.00 0.00 55.95 55.48 2d8m s SER 121 Cb 0.05 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2d8m s SER 121 CO 0.08 -2.18 0.00 0.61 1.20 0.00 0.00 173.24 172.95 2d8m n GLY 122 N 6.33 2.28 0.00 9.45 0.00 -1.26 -5.15 105.19 116.83 2d8m n GLY 122 Ca 0.41 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 2.99 3.37 -0.02 0.00 -1.26 -5.03 105.19 110.24 2d8m n GLY 123 Ca 0.00 -1.31 -0.45 0.00 0.00 0.00 0.00 46.02 44.26 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 0.00 7.26 0.00 1.61 1.04 -1.26 -5.02 113.70 117.33 2d8m s SER 124 Ca 0.00 -3.45 0.00 0.00 0.48 0.00 0.00 55.95 52.98 2d8m s SER 124 Cb 0.00 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.86 2d8m s SER 124 CO 0.00 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.43 2d8m n GLY 125 N 3.04 -1.77 3.75 7.32 0.00 -1.26 -4.97 105.19 111.31 2d8m n GLY 125 Ca 0.27 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.03 1.61 0.04 -1.26 -5.04 135.00 134.75 2d8m s PRO 126 Ca 0.00 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.16 2d8m s PRO 126 Cb 0.00 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.37 2d8m s PRO 126 CO 0.00 -0.13 -0.22 -1.12 0.04 0.00 0.00 177.00 175.56 2d8m s SER 127 N -0.18 2.66 -0.12 6.66 0.01 -1.26 -5.05 113.70 116.42 2d8m s SER 127 Ca 0.52 -0.42 -0.14 0.00 1.31 0.00 0.00 55.95 57.21 2d8m s SER 127 Cb -0.37 -0.45 -0.05 0.00 0.21 0.00 0.00 66.02 65.37 2d8m s SER 127 CO 0.44 0.25 -0.28 -1.54 0.41 0.00 0.00 173.24 172.52 2d8m n SER 128 N 2.70 1.76 0.00 2.44 3.41 -1.26 -5.33 113.62 117.34 2d8m n SER 128 Ca -0.16 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2d8m n SER 128 Cb 0.52 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 2d8m n SER 128 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49