#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 -0.07 0.17 1.61 0.15 -1.26 -5.19 113.70 109.11 2d8m s SER 2 Ca 0.00 -0.24 -0.19 0.00 0.70 0.00 0.00 55.95 56.22 2d8m s SER 2 Cb 0.00 0.26 0.04 0.00 -1.71 0.00 0.00 66.02 64.61 2d8m s SER 2 CO 0.00 -0.48 0.52 -0.94 1.20 0.00 0.00 173.24 173.54 2d8m s SER 3 N -3.10 -0.35 0.00 5.45 1.04 -1.26 -5.17 113.70 110.31 2d8m s SER 3 Ca 0.16 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.31 2d8m s SER 3 Cb 0.02 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2d8m s SER 3 CO -0.02 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.84 2d8m n GLY 4 N -0.32 3.09 3.36 7.32 0.00 -1.26 -5.19 105.19 112.19 2d8m n GLY 4 Ca -0.14 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 2d8m n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8m s SER 5 N 0.00 -0.01 -0.04 1.61 0.01 -1.26 -5.18 113.70 108.83 2d8m s SER 5 Ca 0.00 -0.77 -0.30 0.00 1.31 0.00 0.00 55.95 56.19 2d8m s SER 5 Cb 0.00 0.45 0.11 0.00 0.21 0.00 0.00 66.02 66.80 2d8m s SER 5 CO 0.00 -0.91 1.10 -0.94 0.41 0.00 0.00 173.24 172.90 2d8m s SER 6 N -2.94 -0.18 0.00 2.44 1.04 -1.26 -5.18 113.70 107.62 2d8m s SER 6 Ca 0.14 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.47 2d8m s SER 6 Cb 0.03 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2d8m s SER 6 CO -0.02 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.34 2d8m n GLY 7 N -0.29 3.47 3.63 7.32 0.00 -1.26 -5.19 105.19 112.87 2d8m n GLY 7 Ca -0.05 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.67 0.34 -0.24 1.61 1.03 -1.26 -5.13 118.70 114.38 2d8m s GLU 8 Ca 0.00 0.27 -0.29 0.00 0.03 0.00 0.00 54.97 54.98 2d8m s GLU 8 Cb 0.00 0.16 -0.02 0.00 -0.80 0.00 0.00 34.13 33.47 2d8m s GLU 8 CO 0.00 -0.07 1.63 -1.25 -1.33 0.00 0.00 175.26 174.24 2d8m s PRO 9 N -0.31 3.73 -0.02 -4.83 0.04 -1.26 -4.99 135.00 127.36 2d8m s PRO 9 Ca 0.04 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2d8m s PRO 9 Cb -0.03 -4.05 0.02 0.00 0.04 0.00 0.00 34.50 30.47 2d8m s PRO 9 CO -0.07 -1.37 -0.00 0.50 0.04 0.00 0.00 177.00 176.10 2d8m s ARG 10 N 4.80 0.23 0.25 4.56 3.00 -1.26 -5.14 118.95 125.39 2d8m s ARG 10 Ca 0.72 0.06 -0.30 0.00 -1.00 0.00 0.00 55.73 55.21 2d8m s ARG 10 Cb -0.24 -0.38 -0.09 0.00 0.00 0.00 0.00 34.95 34.23 2d8m s ARG 10 CO 0.30 -0.10 1.01 1.03 0.00 0.00 0.00 175.30 177.54 2d8m s ARG 11 N 0.80 4.76 0.14 5.12 3.00 -1.26 -5.00 118.95 126.50 2d8m s ARG 11 Ca -0.08 1.62 -0.31 0.00 0.00 0.00 0.00 55.73 56.97 2d8m s ARG 11 Cb -0.11 -3.24 -0.08 0.00 0.00 0.00 0.00 34.95 31.52 2d8m s ARG 11 CO -0.02 0.38 1.34 -1.25 0.00 0.00 0.00 175.30 175.76 2d8m s PRO 12 N -1.26 4.36 0.09 3.54 0.04 -1.26 -5.01 135.00 135.49 2d8m s PRO 12 Ca 0.43 2.04 -0.25 0.00 0.04 0.00 0.00 61.00 63.25 2d8m s PRO 12 Cb -0.28 -3.24 0.08 0.00 0.04 0.00 0.00 34.50 31.10 2d8m s PRO 12 CO 0.36 -0.35 0.70 -0.98 0.04 0.00 0.00 177.00 176.77 2d8m s ARG 13 N 0.64 1.11 0.69 4.56 3.03 -1.26 -5.18 118.95 122.54 2d8m s ARG 13 Ca 0.61 -0.35 -0.01 0.00 2.03 0.00 0.00 55.73 58.02 2d8m s ARG 13 Cb -0.36 0.51 0.11 0.00 -1.03 0.00 0.00 34.95 34.18 2d8m s ARG 13 CO 0.33 -0.47 0.95 0.00 -1.13 0.00 0.00 175.30 174.98 2d8m s ALA 14 N -3.29 3.72 0.00 7.88 0.00 -1.26 -4.94 121.76 123.87 2d8m s ALA 14 Ca 0.01 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.34 2d8m s ALA 14 Cb -0.01 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 21.07 2d8m s ALA 14 CO -0.10 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.75 2d8m n GLY 15 N -2.75 0.03 0.00 0.00 0.00 -1.26 -4.88 105.19 96.33 2d8m n GLY 15 Ca 0.13 -1.22 0.08 0.00 0.00 0.00 0.00 46.02 45.01 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 0.47 -0.05 1.61 -0.04 -1.26 -3.34 135.00 132.39 2d8m n PRO 16 Ca 0.00 0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.46 2d8m n PRO 16 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 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 0.21 0.54 4.22 -1.90 -2.56 114.58 115.09 2d8m h GLU 17 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 2d8m h GLU 17 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2d8m h GLU 17 CO 0.00 0.09 -0.10 1.49 -2.18 0.00 0.00 179.01 178.31 2d8m h GLU 18 N -1.00 -0.27 -0.79 1.92 4.57 -1.91 -2.71 114.58 114.38 2d8m h GLU 18 Ca -0.00 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.22 2d8m h GLU 18 Cb 0.10 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 2d8m h GLU 18 CO -0.00 -0.16 0.52 -0.07 -1.18 0.00 0.00 179.01 178.12 2d8m h LEU 19 N -0.29 0.89 -0.94 1.64 4.07 -1.74 -0.77 115.31 118.16 2d8m h LEU 19 Ca -0.03 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.91 2d8m h LEU 19 Cb 0.23 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.75 2d8m h LEU 19 CO 0.05 0.63 0.01 0.61 -1.08 0.00 0.00 178.44 178.66 2d8m n GLY 20 N -1.42 -0.73 0.63 0.83 0.00 -0.13 -0.07 105.19 104.31 2d8m n GLY 20 Ca 0.09 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.38 2d8m n GLY 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d8m n LYS 21 N -1.99 1.83 -0.06 1.61 5.02 -0.30 -3.50 118.16 120.77 2d8m n LYS 21 Ca -0.01 -1.27 -0.05 0.00 -2.02 0.00 0.00 58.31 54.96 2d8m n LYS 21 Cb 0.03 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 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 3.11 0.33 -1.14 -0.18 2.04 -0.40 -3.39 117.51 117.89 2d8m h ILE 22 Ca 0.00 -1.28 -0.63 0.00 1.00 0.00 0.00 64.86 63.95 2d8m h ILE 22 Cb 0.68 0.65 -0.36 0.00 -0.74 0.00 0.00 36.82 37.06 2d8m h ILE 22 CO 0.00 0.11 -0.00 0.18 0.00 0.00 0.00 178.15 178.44 2d8m n LEU 23 N -4.69 6.14 -4.66 1.44 4.77 0.30 -4.89 117.00 115.40 2d8m n LEU 23 Ca -0.05 -4.70 -0.42 0.00 -0.03 0.00 0.00 56.01 50.81 2d8m n LEU 23 Cb 0.18 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.58 2d8m n LEU 23 CO 0.09 1.88 1.31 -1.58 -1.33 0.00 0.00 177.39 177.76 2d8m s GLN 24 N -3.73 4.20 0.00 3.23 2.00 -1.23 -2.59 119.66 121.54 2d8m s GLN 24 Ca 0.55 2.12 0.00 0.00 -2.00 0.00 0.00 55.36 56.03 2d8m s GLN 24 Cb 0.44 -3.90 0.00 0.00 0.80 0.00 0.00 33.01 30.36 2d8m s GLN 24 CO -0.08 -0.80 0.00 0.41 -0.50 0.00 0.00 175.29 174.32 2d8m n GLY 25 N 4.02 0.91 3.32 2.59 0.00 -1.25 -4.88 105.19 109.91 2d8m n GLY 25 Ca 0.16 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 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 1.98 -0.18 1.61 1.01 -1.07 -5.04 120.40 116.72 2d8m s VAL 26 Ca 0.00 -1.49 0.01 0.00 0.00 0.00 0.00 61.98 60.50 2d8m s VAL 26 Cb 0.00 -1.74 0.03 0.00 0.00 0.00 0.00 36.38 34.67 2d8m s VAL 26 CO 0.00 0.16 -0.14 -0.69 0.00 0.00 0.00 175.10 174.43 2d8m s VAL 27 N -0.95 1.71 -0.13 2.92 1.01 -1.26 -0.16 120.40 123.53 2d8m s VAL 27 Ca 0.10 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 2d8m s VAL 27 Cb -0.10 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 2d8m s VAL 27 CO 0.04 0.35 -0.02 0.68 0.00 0.00 0.00 175.10 176.15 2d8m s VAL 28 N 1.41 4.07 -0.20 2.92 -7.23 0.97 -2.37 120.40 119.97 2d8m s VAL 28 Ca 0.02 -0.31 -0.04 0.00 -1.81 0.00 0.00 61.98 59.84 2d8m s VAL 28 Cb -0.14 -2.76 -0.02 0.00 0.56 0.00 0.00 36.38 34.03 2d8m s VAL 28 CO -0.10 0.53 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.49 2d8m s VAL 29 N -0.10 3.57 -0.31 1.32 1.01 -1.17 -2.92 120.40 121.79 2d8m s VAL 29 Ca 0.03 -0.44 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 2d8m s VAL 29 Cb -0.13 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.66 2d8m s VAL 29 CO 0.02 0.44 0.95 -0.76 0.00 0.00 0.00 175.10 175.75 2d8m s LEU 30 N 1.11 4.01 -0.23 3.92 1.43 -1.26 -1.18 118.68 126.48 2d8m s LEU 30 Ca 0.02 0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 53.95 2d8m s LEU 30 Cb -0.15 -3.33 0.09 0.00 0.03 0.00 0.00 46.19 42.83 2d8m s LEU 30 CO 0.00 -0.76 0.17 -0.55 0.23 0.00 0.00 176.35 175.44 2d8m s SER 31 N 1.64 2.22 0.00 2.29 0.15 -1.12 -4.87 113.70 114.01 2d8m s SER 31 Ca 0.40 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2d8m s SER 31 Cb -0.13 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 2d8m s SER 31 CO 0.14 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2d8m n GLY 32 N 5.29 1.56 3.34 9.45 0.00 -1.26 -2.82 105.19 120.75 2d8m n GLY 32 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 1.66 -0.03 1.61 0.08 -1.26 -4.46 117.98 113.57 2d8m s PHE 33 Ca 0.00 -0.64 0.00 0.00 0.12 0.00 0.00 56.93 56.41 2d8m s PHE 33 Cb 0.00 -0.82 0.03 0.00 -0.57 0.00 0.00 43.02 41.66 2d8m s PHE 33 CO 0.00 0.28 -0.01 -1.14 -0.10 0.00 0.00 175.22 174.25 2d8m s GLN 34 N -3.68 0.41 0.66 0.44 0.74 -1.26 -4.81 119.66 112.16 2d8m s GLN 34 Ca 0.23 0.04 -0.17 0.00 0.05 0.00 0.00 55.36 55.51 2d8m s GLN 34 Cb 0.01 -0.57 -0.03 0.00 1.10 0.00 0.00 33.01 33.51 2d8m s GLN 34 CO 0.07 -0.13 0.80 0.27 -0.55 0.00 0.00 175.29 175.75 2d8m n ASN 35 N 4.17 -0.03 0.15 6.67 0.23 -1.26 -0.93 115.26 124.26 2d8m n ASN 35 Ca -0.25 0.70 0.12 0.00 -0.53 0.00 0.00 54.58 54.63 2d8m n ASN 35 Cb 0.50 -1.32 0.52 0.00 -2.08 0.00 0.00 39.78 37.40 2d8m n ASN 35 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 2d8m h PRO 36 N 0.02 0.00 -0.84 -0.53 0.13 -2.02 -3.44 132.00 125.32 2d8m h PRO 36 Ca -0.47 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 64.87 2d8m h PRO 36 Cb 1.36 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.33 2d8m h PRO 36 CO 0.47 0.00 -0.04 0.34 -0.23 0.00 0.00 178.00 178.54 2d8m n PHE 37 N -2.33 0.47 0.00 1.56 7.35 -0.10 -1.09 117.46 123.31 2d8m n PHE 37 Ca 0.02 1.02 0.00 0.00 -0.76 0.00 0.00 57.45 57.73 2d8m n PHE 37 Cb 0.23 -1.09 0.00 0.00 0.35 0.00 0.00 39.48 38.97 2d8m n PHE 37 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2d8m n ARG 38 N -5.26 0.00 -0.08 -4.13 1.74 -1.16 -0.08 116.66 107.69 2d8m n ARG 38 Ca 0.18 0.72 -0.11 0.00 -0.77 0.00 0.00 57.85 57.87 2d8m n ARG 38 Cb 0.59 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.47 2d8m n ARG 38 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2d8m h SER 39 N 0.00 -1.42 -0.65 0.55 0.87 -1.46 -0.83 113.55 110.60 2d8m h SER 39 Ca 0.00 0.20 0.13 0.00 -1.23 0.00 0.00 61.79 60.89 2d8m h SER 39 Cb 0.00 0.60 -0.12 0.00 -0.44 0.00 0.00 62.40 62.44 2d8m h SER 39 CO 0.00 -0.40 -0.18 -0.08 -0.53 0.00 0.00 176.83 175.64 2d8m h GLU 40 N -0.40 -0.02 -0.30 2.24 4.81 -1.04 0.24 114.58 120.12 2d8m h GLU 40 Ca 0.11 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 2d8m h GLU 40 Cb 0.60 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 2d8m h GLU 40 CO -0.51 -0.01 0.03 1.25 -0.73 0.00 0.00 179.01 179.04 2d8m h LEU 41 N -0.02 -0.06 0.52 1.64 5.85 0.72 -2.51 115.31 121.45 2d8m h LEU 41 Ca 0.31 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.06 2d8m h LEU 41 Cb 0.49 0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.62 2d8m h LEU 41 CO -0.68 0.00 -0.25 -0.09 -0.34 0.00 0.00 178.44 177.08 2d8m h ARG 42 N 0.12 -0.68 -0.99 1.25 2.43 0.29 -1.67 114.38 115.13 2d8m h ARG 42 Ca 0.14 0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.48 2d8m h ARG 42 Cb 0.18 0.15 -0.14 0.00 -0.42 0.00 0.00 29.97 29.74 2d8m h ARG 42 CO -0.22 -0.43 -0.49 -0.44 -1.51 0.00 0.00 179.97 176.88 2d8m h ASP 43 N -0.74 -1.82 -0.67 -3.80 3.32 -0.41 0.63 116.42 112.93 2d8m h ASP 43 Ca -0.07 0.32 0.01 0.00 0.02 0.00 0.00 57.03 57.31 2d8m h ASP 43 Cb 0.56 0.86 -0.04 0.00 0.22 0.00 0.00 39.33 40.93 2d8m h ASP 43 CO 0.12 -0.26 0.44 0.11 -1.72 0.00 0.00 179.24 177.92 2d8m h LYS 44 N -0.01 0.85 -0.25 3.56 1.57 -1.39 -1.68 116.57 119.23 2d8m h LYS 44 Ca 0.25 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 2d8m h LYS 44 Cb 0.50 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2d8m h LYS 44 CO -0.96 0.57 0.09 0.00 -0.57 0.00 0.00 179.45 178.58 2d8m h ALA 45 N 1.26 1.70 -0.21 3.86 0.00 0.73 -2.55 119.26 124.05 2d8m h ALA 45 Ca 0.25 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2d8m h ALA 45 Cb -0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2d8m h ALA 45 CO -0.07 0.24 -0.32 -0.07 0.00 0.00 0.00 179.25 179.03 2d8m h LEU 46 N 0.35 0.65 -0.22 0.00 3.38 0.88 -2.00 115.31 118.34 2d8m h LEU 46 Ca 0.09 -0.52 0.06 0.00 0.09 0.00 0.00 57.88 57.60 2d8m h LEU 46 Cb 0.08 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 2d8m h LEU 46 CO -0.01 1.04 -0.28 -0.33 0.09 0.00 0.00 178.44 178.95 2d8m h GLU 47 N 0.27 -0.29 -0.22 1.13 3.07 -0.93 0.26 114.58 117.87 2d8m h GLU 47 Ca 0.02 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 58.96 2d8m h GLU 47 Cb 0.90 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.87 2d8m h GLU 47 CO 0.07 -0.19 0.39 -0.07 -1.40 0.00 0.00 179.01 177.81 2d8m h LEU 48 N -0.30 0.00 0.00 1.33 3.38 -1.58 -0.31 115.31 117.83 2d8m h LEU 48 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2d8m h LEU 48 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2d8m h LEU 48 CO -0.40 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.74 2d8m n GLY 49 N -1.37 1.52 3.92 0.83 0.00 0.90 -0.54 105.19 110.46 2d8m n GLY 49 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 3.97 0.08 4.61 0.00 -0.75 -3.89 121.76 123.77 2d8m s ALA 50 Ca 0.00 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 51.02 2d8m s ALA 50 Cb 0.00 -1.88 -0.06 0.00 0.00 0.00 0.00 23.12 21.18 2d8m s ALA 50 CO 0.00 0.78 0.46 0.15 0.00 0.00 0.00 175.76 177.16 2d8m s LYS 51 N -2.58 3.91 -0.30 0.00 3.01 0.77 -4.11 119.74 120.44 2d8m s LYS 51 Ca 0.36 0.39 -0.07 0.00 -1.01 0.00 0.00 55.97 55.64 2d8m s LYS 51 Cb -0.13 -3.07 0.01 0.00 -1.01 0.00 0.00 37.83 33.64 2d8m s LYS 51 CO 0.28 0.58 0.08 -0.47 0.51 0.00 0.00 175.35 176.33 2d8m s TYR 52 N -1.30 3.15 -0.04 3.18 5.04 -1.26 -0.02 117.35 126.11 2d8m s TYR 52 Ca 0.31 -0.97 -0.02 0.00 -2.44 0.00 0.00 57.07 53.95 2d8m s TYR 52 Cb -0.16 -2.26 -0.04 0.00 0.35 0.00 0.00 41.96 39.86 2d8m s TYR 52 CO 0.17 -0.58 0.10 1.03 -1.34 0.00 0.00 175.55 174.93 2d8m s ARG 53 N 1.50 3.19 0.53 4.97 1.81 -1.15 -5.00 118.95 124.81 2d8m s ARG 53 Ca 0.03 -0.38 0.33 0.00 -1.72 0.00 0.00 55.73 53.99 2d8m s ARG 53 Cb -0.17 -2.95 1.38 0.00 -0.45 0.00 0.00 34.95 32.75 2d8m s ARG 53 CO 0.03 0.69 1.98 -1.00 -0.68 0.00 0.00 175.30 176.31 2d8m h PRO 54 N 4.36 0.00 -3.04 3.54 0.13 -1.95 -3.37 132.00 131.67 2d8m h PRO 54 Ca -0.50 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2d8m h PRO 54 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 2d8m h PRO 54 CO 0.62 0.00 0.19 0.34 -0.23 0.00 0.00 178.00 178.92 2d8m s ASP 55 N -5.54 -0.41 -0.08 1.44 2.15 -1.26 -4.95 116.67 108.02 2d8m s ASP 55 Ca 0.01 -0.29 -0.29 0.00 0.43 0.00 0.00 52.55 52.41 2d8m s ASP 55 Cb 0.09 0.64 -0.07 0.00 -0.30 0.00 0.00 42.92 43.29 2d8m s ASP 55 CO 0.52 -1.12 1.96 0.86 -0.17 0.00 0.00 175.17 177.22 2d8m s TRP 56 N -3.83 1.43 0.41 -5.34 -0.11 -1.26 -4.96 118.94 105.28 2d8m s TRP 56 Ca 0.06 0.01 0.05 0.00 1.22 0.00 0.00 56.10 57.44 2d8m s TRP 56 Cb -0.03 -4.09 -0.05 0.00 -1.50 0.00 0.00 33.47 27.79 2d8m s TRP 56 CO -0.04 -4.64 0.03 -0.08 -4.62 0.00 0.00 176.95 167.60 2d8m s THR 57 N 5.57 1.46 -0.45 5.86 -1.32 -1.26 -5.00 115.64 120.51 2d8m s THR 57 Ca 0.88 -2.00 0.19 0.00 -1.21 0.00 0.00 61.69 59.55 2d8m s THR 57 Cb -0.37 -2.69 0.20 0.00 -1.51 0.00 0.00 72.50 68.13 2d8m s THR 57 CO 0.37 0.00 1.59 0.54 -2.21 0.00 0.00 174.62 174.91 2d8m n ARG 58 N -0.96 0.13 0.00 7.08 1.74 -1.26 -0.78 116.66 122.61 2d8m n ARG 58 Ca -0.08 0.52 0.11 0.00 -0.77 0.00 0.00 57.85 57.64 2d8m n ARG 58 Cb 0.67 -1.84 0.11 0.00 -1.02 0.00 0.00 32.46 30.37 2d8m n ARG 58 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2d8m n ASP 59 N -2.11 1.40 -4.65 0.55 9.92 -1.26 -4.89 116.55 115.51 2d8m n ASP 59 Ca 0.00 -1.11 -0.43 0.00 -0.53 0.00 0.00 54.79 52.72 2d8m n ASP 59 Cb 0.11 0.46 -0.02 0.00 -0.64 0.00 0.00 41.12 41.03 2d8m n ASP 59 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2d8m s SER 60 N -2.64 6.94 -0.19 -2.24 0.01 0.04 -4.63 113.70 111.00 2d8m s SER 60 Ca 0.17 1.33 -0.15 0.00 1.31 0.00 0.00 55.95 58.61 2d8m s SER 60 Cb 0.18 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.78 2d8m s SER 60 CO 0.63 -0.82 -0.19 0.35 0.41 0.00 0.00 173.24 173.62 2d8m n THR 61 N 5.64 1.48 -4.68 1.44 -2.24 -1.21 -4.86 114.28 109.85 2d8m n THR 61 Ca 0.13 0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 61.62 2d8m n THR 61 Cb 0.46 -2.22 -0.12 0.00 -2.10 0.00 0.00 70.33 66.35 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 -2.52 2.83 -0.27 4.78 3.76 -1.00 -2.82 115.29 120.06 2d8m s HIS 62 Ca -0.26 -0.06 -0.07 0.00 -0.15 0.00 0.00 55.06 54.52 2d8m s HIS 62 Cb 0.06 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 32.08 2d8m s HIS 62 CO 0.40 0.29 0.06 -1.17 -0.85 0.00 0.00 174.74 173.48 2d8m s LEU 63 N -0.93 3.56 -0.98 0.89 2.96 -0.38 -3.05 118.68 120.74 2d8m s LEU 63 Ca 0.13 -0.43 -0.23 0.00 -0.22 0.00 0.00 54.13 53.38 2d8m s LEU 63 Cb -0.11 -1.89 0.06 0.00 0.50 0.00 0.00 46.19 44.75 2d8m s LEU 63 CO 0.02 -0.10 1.38 -0.63 -1.32 0.00 0.00 176.35 175.71 2d8m s ILE 64 N 1.56 4.02 -0.14 6.68 -1.09 -0.33 -2.55 121.20 129.35 2d8m s ILE 64 Ca 0.05 -0.76 -0.21 0.00 -2.23 0.00 0.00 60.65 57.50 2d8m s ILE 64 Cb -0.16 -5.00 -0.03 0.00 -1.58 0.00 0.00 42.46 35.69 2d8m s ILE 64 CO 0.02 -1.87 0.60 0.00 -1.23 0.00 0.00 174.94 172.47 2d8m h ALA 66 N 7.08 0.69 -1.70 0.00 0.00 -1.74 -3.22 119.26 120.37 2d8m h ALA 66 Ca -0.37 -0.72 0.04 0.00 0.00 0.00 0.00 54.91 53.86 2d8m h ALA 66 Cb 1.17 -0.12 -0.22 0.00 0.00 0.00 0.00 17.79 18.61 2d8m h ALA 66 CO 0.76 0.98 0.43 -0.59 0.00 0.00 0.00 179.25 180.83 2d8m s PHE 67 N -3.21 -0.48 0.65 0.00 -0.12 -1.26 -4.86 117.98 108.71 2d8m s PHE 67 Ca -0.00 0.89 -0.11 0.00 -0.05 0.00 0.00 56.93 57.65 2d8m s PHE 67 Cb 0.11 0.42 0.16 0.00 -0.63 0.00 0.00 43.02 43.09 2d8m s PHE 67 CO 0.79 -0.40 0.54 0.00 -0.05 0.00 0.00 175.22 176.11 2d8m n ALA 68 N 1.06 -1.88 -3.57 1.99 0.00 -1.26 -4.33 120.51 112.53 2d8m n ALA 68 Ca -0.13 -0.83 -0.23 0.00 0.00 0.00 0.00 53.44 52.26 2d8m n ALA 68 Cb 0.57 -0.06 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 -4.02 -5.56 -4.45 0.00 3.02 -1.26 -5.01 115.26 97.99 2d8m n ASN 69 Ca 0.08 -0.56 -0.23 0.00 -0.03 0.00 0.00 54.58 53.84 2d8m n ASN 69 Cb 0.30 -5.05 -0.10 0.00 -0.61 0.00 0.00 39.78 34.32 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 2.34 0.28 3.41 -4.23 -1.26 -5.05 115.64 107.81 2d8m s THR 70 Ca 0.48 -2.36 0.06 0.00 -1.18 0.00 0.00 61.69 58.69 2d8m s THR 70 Cb -0.21 -2.24 0.02 0.00 1.34 0.00 0.00 72.50 71.40 2d8m s THR 70 CO 0.73 -0.42 1.67 1.55 -0.54 0.00 0.00 174.62 177.61 2d8m h PRO 71 N 2.37 0.23 0.00 3.99 0.13 -1.95 -3.05 132.00 133.72 2d8m h PRO 71 Ca -0.40 -0.12 -0.20 0.00 -0.87 0.00 0.00 66.00 64.41 2d8m h PRO 71 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2d8m h PRO 71 CO 0.60 0.65 -1.06 -0.22 -0.23 0.00 0.00 178.00 177.73 2d8m h LYS 72 N 0.19 0.00 -0.54 0.86 1.63 -1.97 -3.02 116.57 113.71 2d8m h LYS 72 Ca 0.01 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 2d8m h LYS 72 Cb 0.89 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.49 2d8m h LYS 72 CO 0.07 0.75 0.26 -0.92 -3.45 0.00 0.00 179.45 176.16 2d8m h TYR 73 N 0.00 0.79 0.00 1.91 5.03 -1.90 -2.09 116.97 120.72 2d8m h TYR 73 Ca -0.07 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.20 2d8m h TYR 73 Cb 1.72 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 39.76 2d8m h TYR 73 CO 0.00 0.62 -0.16 0.43 -1.32 0.00 0.00 178.16 177.73 2d8m n SER 74 N -4.56 0.21 0.09 -2.11 7.64 -1.16 -2.74 113.62 110.99 2d8m n SER 74 Ca 0.03 0.29 -0.13 0.00 1.01 0.00 0.00 58.87 60.07 2d8m n SER 74 Cb 0.12 -0.30 -0.12 0.00 -1.01 0.00 0.00 64.21 62.91 2d8m n SER 74 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2d8m h GLN 75 N 0.00 0.20 0.00 1.43 4.15 -1.26 -3.26 115.11 116.37 2d8m h GLN 75 Ca 0.00 -0.33 0.00 0.00 0.77 0.00 0.00 58.65 59.09 2d8m h GLN 75 Cb 0.52 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.34 2d8m h GLN 75 CO 0.00 1.15 -1.01 0.28 -1.93 0.00 0.00 178.83 177.31 2d8m n VAL 76 N -3.50 0.20 -0.06 2.39 0.31 -0.93 -3.71 118.33 113.02 2d8m n VAL 76 Ca -0.06 -0.26 -0.13 0.00 -0.01 0.00 0.00 64.34 63.88 2d8m n VAL 76 Cb 0.98 0.16 -0.00 0.00 -0.91 0.00 0.00 33.84 34.07 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 0.87 0.19 7.52 5.85 -1.58 -2.11 115.31 126.05 2d8m h LEU 77 Ca 0.00 -0.45 -0.32 0.00 0.84 0.00 0.00 57.88 57.96 2d8m h LEU 77 Cb 0.75 -0.25 0.03 0.00 0.37 0.00 0.00 40.66 41.56 2d8m h LEU 77 CO 0.00 1.22 -1.38 1.23 -0.34 0.00 0.00 178.44 179.17 2d8m h GLY 78 N 0.82 0.57 0.55 3.75 0.00 -1.71 -3.33 103.07 103.72 2d8m h GLY 78 Ca 0.02 -1.39 0.05 0.00 0.00 0.00 0.00 47.33 46.01 2d8m h GLY 78 CO 0.11 1.22 0.01 1.41 0.00 0.00 0.00 176.54 179.29 2d8m h LEU 79 N 0.16 -0.10 0.00 3.11 3.38 -1.64 -3.46 115.31 116.76 2d8m h LEU 79 Ca -0.22 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2d8m h LEU 79 Cb 2.07 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.93 2d8m h LEU 79 CO 0.25 -0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.38 2d8m n GLY 80 N -1.23 0.35 3.90 0.83 0.00 -1.12 -5.13 105.19 102.80 2d8m n GLY 80 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.01 1.62 -0.39 -0.02 0.00 -0.81 -5.03 107.32 101.69 2d8m s GLY 81 Ca 0.00 -0.48 -0.21 0.00 0.00 0.00 0.00 44.72 44.03 2d8m s GLY 81 CO 0.00 -0.12 0.66 -1.60 0.00 0.00 0.00 173.10 172.04 2d8m s ARG 82 N -5.28 3.56 -0.34 2.90 3.52 -1.13 -4.69 118.95 117.48 2d8m s ARG 82 Ca 0.57 -0.06 -0.17 0.00 -0.13 0.00 0.00 55.73 55.95 2d8m s ARG 82 Cb -0.11 -3.86 -0.01 0.00 -1.56 0.00 0.00 34.95 29.42 2d8m s ARG 82 CO 0.50 -0.85 0.44 0.42 -0.81 0.00 0.00 175.30 175.00 2d8m s ILE 83 N 2.81 5.09 0.14 4.11 1.01 -1.26 -1.25 121.20 131.84 2d8m s ILE 83 Ca 0.25 0.20 0.04 0.00 0.00 0.00 0.00 60.65 61.15 2d8m s ILE 83 Cb -0.14 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 2d8m s ILE 83 CO 0.17 -0.15 -0.10 0.68 0.00 0.00 0.00 174.94 175.54 2d8m s VAL 84 N 2.20 1.15 1.07 2.92 -7.23 -1.06 -0.94 120.40 118.51 2d8m s VAL 84 Ca 0.15 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 58.16 2d8m s VAL 84 Cb -0.16 -1.77 0.24 0.00 0.56 0.00 0.00 36.38 35.25 2d8m s VAL 84 CO 0.12 -0.71 1.22 -0.13 -0.31 0.00 0.00 175.10 175.29 2d8m s ARG 85 N -3.56 -0.18 0.12 4.82 0.52 -1.01 -1.82 118.95 117.84 2d8m s ARG 85 Ca 0.15 -0.22 0.03 0.00 -0.52 0.00 0.00 55.73 55.17 2d8m s ARG 85 Cb 0.01 -1.73 -0.16 0.00 0.52 0.00 0.00 34.95 33.59 2d8m s ARG 85 CO 0.01 -2.99 1.28 1.57 0.02 0.00 0.00 175.30 175.18 2d8m h LYS 86 N -2.06 0.11 -1.78 3.54 2.10 -1.88 -3.27 116.57 113.33 2d8m h LYS 86 Ca -0.45 -0.17 0.52 0.00 -2.00 0.00 0.00 60.65 58.55 2d8m h LYS 86 Cb 1.27 0.06 -0.08 0.00 -0.90 0.00 0.00 32.23 32.58 2d8m h LYS 86 CO 0.38 1.03 1.27 0.93 -2.00 0.00 0.00 179.45 181.06 2d8m h GLU 87 N 0.04 0.01 -0.28 0.07 5.08 -1.93 0.69 114.58 118.25 2d8m h GLU 87 Ca -0.05 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2d8m h GLU 87 Cb 1.74 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.97 2d8m h GLU 87 CO 0.15 0.00 0.16 2.35 -1.00 0.00 0.00 179.01 180.68 2d8m h TRP 88 N 0.01 0.31 0.24 4.33 7.01 -1.95 -1.30 115.95 124.61 2d8m h TRP 88 Ca 0.86 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.86 2d8m h TRP 88 Cb 3.40 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 30.37 2d8m h TRP 88 CO -0.00 0.19 -0.12 0.28 -2.79 0.00 0.00 178.44 176.00 2d8m h VAL 89 N 0.34 0.62 -0.68 2.65 2.07 0.13 -1.21 116.25 120.18 2d8m h VAL 89 Ca 0.11 -0.92 0.11 0.00 0.82 0.00 0.00 66.70 66.82 2d8m h VAL 89 Cb -0.01 1.02 -0.12 0.00 -1.52 0.00 0.00 31.29 30.66 2d8m h VAL 89 CO -0.05 0.15 -0.39 -0.07 0.02 0.00 0.00 177.57 177.23 2d8m h LEU 90 N -0.91 -1.36 -0.34 2.57 3.38 -1.44 0.14 115.31 117.34 2d8m h LEU 90 Ca -0.03 0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 2d8m h LEU 90 Cb 0.50 0.66 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2d8m h LEU 90 CO 0.06 -0.31 0.09 0.44 0.09 0.00 0.00 178.44 178.81 2d8m h ASP 91 N -0.15 0.51 -0.54 -0.43 3.32 -1.33 0.89 116.42 118.69 2d8m h ASP 91 Ca 0.23 -0.22 0.11 0.00 0.02 0.00 0.00 57.03 57.17 2d8m h ASP 91 Cb 0.56 -0.14 -0.10 0.00 0.22 0.00 0.00 39.33 39.88 2d8m h ASP 91 CO -0.75 0.60 -0.05 0.00 -1.72 0.00 0.00 179.24 177.32 2d8m h HIS 93 N 0.07 -0.43 -1.18 0.00 -0.00 -0.71 0.90 115.15 113.80 2d8m h HIS 93 Ca 0.27 -0.01 0.43 0.00 -0.00 0.00 0.00 60.37 61.07 2d8m h HIS 93 Cb 0.43 0.14 -0.16 0.00 -0.00 0.00 0.00 27.41 27.82 2d8m h HIS 93 CO -0.38 -0.27 0.71 -0.09 -0.00 0.00 0.00 177.93 177.90 2d8m h ARG 94 N -1.04 0.05 0.00 5.26 9.65 -0.63 1.65 114.38 129.31 2d8m h ARG 94 Ca -0.05 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2d8m h ARG 94 Cb 0.36 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 2d8m h ARG 94 CO 0.08 0.03 -1.36 -1.33 2.80 0.00 0.00 179.97 180.19 2d8m n MET 95 N -4.97 0.34 -3.73 0.20 2.81 0.13 -4.99 117.12 106.90 2d8m n MET 95 Ca 0.38 -0.07 -0.24 0.00 -1.81 0.00 0.00 57.70 55.96 2d8m n MET 95 Cb 1.37 -1.54 0.04 0.00 -0.71 0.00 0.00 33.22 32.38 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 -1.94 -5.69 -4.10 0.03 1.74 0.56 -4.97 116.66 102.29 2d8m n ARG 96 Ca 0.00 0.66 -0.17 0.00 -0.77 0.00 0.00 57.85 57.58 2d8m n ARG 96 Cb 0.45 -5.44 -0.05 0.00 -1.02 0.00 0.00 32.46 26.40 2d8m n ARG 96 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2d8m n ARG 97 N -4.49 0.60 -3.55 5.56 1.85 -0.29 -4.94 116.66 111.40 2d8m n ARG 97 Ca -0.14 -3.04 -0.39 0.00 -1.00 0.00 0.00 57.85 53.28 2d8m n ARG 97 Cb 0.61 2.74 -0.11 0.00 -1.05 0.00 0.00 32.46 34.66 2d8m n ARG 97 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2d8m s ARG 98 N -3.02 3.71 0.08 2.89 3.52 -1.26 -4.62 118.95 120.25 2d8m s ARG 98 Ca 0.34 -0.48 0.04 0.00 -0.13 0.00 0.00 55.73 55.49 2d8m s ARG 98 Cb 0.00 -3.74 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 2d8m s ARG 98 CO 0.24 -0.33 0.04 -0.51 -0.81 0.00 0.00 175.30 173.93 2d8m s LEU 99 N 1.75 3.63 -0.39 -0.88 1.43 -1.26 -5.06 118.68 117.90 2d8m s LEU 99 Ca 0.07 -0.09 -0.28 0.00 -1.03 0.00 0.00 54.13 52.80 2d8m s LEU 99 Cb -0.17 -2.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 2d8m s LEU 99 CO 0.11 0.18 1.73 -2.16 0.23 0.00 0.00 176.35 176.44 2d8m s PRO 100 N -2.30 3.27 0.37 1.29 0.04 -1.26 -4.85 135.00 131.56 2d8m s PRO 100 Ca 0.27 1.19 0.26 0.00 0.04 0.00 0.00 61.00 62.76 2d8m s PRO 100 Cb -0.12 -4.19 1.33 0.00 0.04 0.00 0.00 34.50 31.55 2d8m s PRO 100 CO 0.20 -1.94 1.81 0.66 0.04 0.00 0.00 177.00 177.76 2d8m h SER 101 N 12.75 0.00 0.10 6.66 4.64 -1.97 -2.07 113.55 133.66 2d8m h SER 101 Ca -0.31 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.99 2d8m h SER 101 Cb 1.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2d8m h SER 101 CO 1.07 0.00 -0.09 -0.61 -0.87 0.00 0.00 176.83 176.33 2d8m h GLN 102 N 0.00 0.00 0.00 4.77 4.15 -1.99 -1.61 115.11 120.43 2d8m h GLN 102 Ca 0.00 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.24 2d8m h GLN 102 Cb 0.14 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 2d8m h GLN 102 CO 0.00 0.09 -0.86 0.00 -1.93 0.00 0.00 178.83 176.14 2d8m h ARG 103 N 0.00 0.00 -0.73 1.69 3.08 -1.78 -3.14 114.38 113.49 2d8m h ARG 103 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 2d8m h ARG 103 Cb 0.17 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 2d8m h ARG 103 CO 0.01 0.86 0.13 0.66 -1.07 0.00 0.00 179.97 180.56 2d8m n TYR 104 N -3.49 1.95 -2.16 3.04 4.01 -0.65 -4.95 117.16 114.90 2d8m n TYR 104 Ca -0.00 -0.85 -0.42 0.00 -0.16 0.00 0.00 57.90 56.47 2d8m n TYR 104 Cb 0.83 -0.54 -0.03 0.00 -0.31 0.00 0.00 39.34 39.29 2d8m n TYR 104 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2d8m s LEU 105 N -2.42 4.35 -0.11 7.72 1.43 -0.92 -2.40 118.68 126.34 2d8m s LEU 105 Ca 0.46 2.28 -0.02 0.00 -1.03 0.00 0.00 54.13 55.82 2d8m s LEU 105 Cb 0.36 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.99 2d8m s LEU 105 CO 0.12 -0.70 -0.02 0.24 0.23 0.00 0.00 176.35 176.23 2d8m h MET 106 N 7.23 0.00 -6.22 1.70 2.86 -1.39 -3.48 114.93 115.64 2d8m h MET 106 Ca -0.41 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.66 2d8m h MET 106 Cb 1.20 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.75 2d8m h MET 106 CO 0.88 0.02 -0.67 0.00 1.06 0.00 0.00 176.91 178.20 2d8m s ALA 107 N -2.58 3.07 0.00 6.32 0.00 -1.26 -5.10 121.76 122.22 2d8m s ALA 107 Ca -0.03 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.24 2d8m s ALA 107 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.45 2d8m s ALA 107 CO 0.06 0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.51 2d8m n GLY 108 N -0.78 4.30 0.24 0.00 0.00 -1.26 -4.88 105.19 102.81 2d8m n GLY 108 Ca -0.06 -1.32 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 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 0.83 0.00 1.61 0.13 -2.03 -3.49 132.00 129.05 2d8m h PRO 109 Ca 0.00 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2d8m h PRO 109 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2d8m h PRO 109 CO 0.00 1.08 0.00 0.41 -0.23 0.00 0.00 178.00 179.26 2d8m n GLY 110 N 0.15 3.29 0.36 1.56 0.00 -1.26 -5.00 105.19 104.29 2d8m n GLY 110 Ca -0.03 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.14 2d8m n GLY 110 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2d8m h SER 111 N 0.00 -1.24 -7.13 1.61 4.64 -1.94 -3.45 113.55 106.03 2d8m h SER 111 Ca 0.00 0.23 -0.62 0.00 -0.47 0.00 0.00 61.79 60.93 2d8m h SER 111 Cb 0.00 0.60 -0.33 0.00 -0.31 0.00 0.00 62.40 62.37 2d8m h SER 111 CO 0.00 -0.31 -0.92 -0.24 -0.87 0.00 0.00 176.83 174.49 2d8m n SER 112 N -5.43 -1.23 -3.03 4.97 2.88 -1.26 0.13 113.62 110.66 2d8m n SER 112 Ca 0.04 -1.24 -0.18 0.00 -1.33 0.00 0.00 58.87 56.16 2d8m n SER 112 Cb 0.35 -1.71 0.07 0.00 -0.75 0.00 0.00 64.21 62.17 2d8m n SER 112 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2d8m n SER 113 N -2.59 -4.61 -1.99 -3.46 7.64 -1.26 -4.93 113.62 102.42 2d8m n SER 113 Ca -0.00 -0.46 -0.24 0.00 1.01 0.00 0.00 58.87 59.18 2d8m n SER 113 Cb 0.52 -4.24 0.04 0.00 -1.01 0.00 0.00 64.21 59.51 2d8m n SER 113 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2d8m n GLU 114 N -4.03 3.42 -1.09 1.43 4.07 0.36 -5.06 120.64 119.74 2d8m n GLU 114 Ca -0.06 -4.03 -0.29 0.00 -0.06 0.00 0.00 57.16 52.72 2d8m n GLU 114 Cb 0.57 -2.25 0.20 0.00 -0.06 0.00 0.00 31.44 29.91 2d8m n GLU 114 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 2d8m s GLU 115 N -3.61 -0.20 -0.08 5.31 4.04 -1.26 -4.94 118.70 117.96 2d8m s GLU 115 Ca 0.52 0.36 -0.30 0.00 0.04 0.00 0.00 54.97 55.60 2d8m s GLU 115 Cb 0.42 -1.68 -0.04 0.00 0.02 0.00 0.00 34.13 32.85 2d8m s GLU 115 CO 0.03 -3.12 1.37 0.16 -1.84 0.00 0.00 175.26 171.86 2d8m s ASP 116 N -3.50 6.88 0.11 0.83 1.47 -1.26 -4.89 116.67 116.31 2d8m s ASP 116 Ca 0.67 1.94 0.23 0.00 1.18 0.00 0.00 52.55 56.57 2d8m s ASP 116 Cb -0.17 -2.55 -0.06 0.00 -0.34 0.00 0.00 42.92 39.80 2d8m s ASP 116 CO 0.58 -0.75 0.91 -1.84 0.68 0.00 0.00 175.17 174.74 2d8m n GLU 117 N 6.12 0.55 -3.47 2.11 0.28 -1.26 -4.61 120.64 120.36 2d8m n GLU 117 Ca 0.14 0.02 -0.42 0.00 -0.16 0.00 0.00 57.16 56.74 2d8m n GLU 117 Cb 0.44 -1.70 -0.03 0.00 1.43 0.00 0.00 31.44 31.58 2d8m n GLU 117 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2d8m s ALA 118 N -3.37 4.34 -0.77 -1.84 0.00 -1.26 -4.97 121.76 113.89 2d8m s ALA 118 Ca -0.01 -3.69 -0.04 0.00 0.00 0.00 0.00 51.96 48.22 2d8m s ALA 118 Cb 0.12 -3.23 0.20 0.00 0.00 0.00 0.00 23.12 20.20 2d8m s ALA 118 CO 0.82 -2.19 0.63 0.45 0.00 0.00 0.00 175.76 175.47 2d8m s SER 119 N 0.95 5.80 0.43 0.00 0.15 -1.26 -5.07 113.70 114.70 2d8m s SER 119 Ca 0.26 -3.17 -0.24 0.00 0.70 0.00 0.00 55.95 53.49 2d8m s SER 119 Cb -0.10 -1.94 -0.08 0.00 -1.71 0.00 0.00 66.02 62.19 2d8m s SER 119 CO -0.09 -0.33 1.15 -1.00 1.20 0.00 0.00 173.24 174.17 2d8m s HIS 120 N -0.54 2.99 0.30 3.44 3.76 -1.26 -5.03 115.29 118.95 2d8m s HIS 120 Ca 0.21 1.55 -0.19 0.00 -0.15 0.00 0.00 55.06 56.48 2d8m s HIS 120 Cb -0.14 -3.35 0.04 0.00 1.11 0.00 0.00 32.58 30.24 2d8m s HIS 120 CO -0.07 -1.33 0.79 0.45 -0.85 0.00 0.00 174.74 173.72 2d8m s SER 121 N -1.30 -0.14 0.00 1.40 0.15 -1.26 -4.95 113.70 107.60 2d8m s SER 121 Ca 0.60 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2d8m s SER 121 Cb -0.28 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2d8m s SER 121 CO 0.35 -1.42 0.00 0.61 1.20 0.00 0.00 173.24 173.99 2d8m n GLY 122 N -0.50 2.55 3.55 9.45 0.00 -1.26 -4.96 105.19 114.03 2d8m n GLY 122 Ca -0.06 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 2d8m n GLY 122 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2d8m s GLY 123 N 0.00 0.33 0.50 -0.02 0.00 -1.26 -4.79 107.32 102.08 2d8m s GLY 123 Ca 0.00 -1.17 0.28 0.00 0.00 0.00 0.00 44.72 43.83 2d8m s GLY 123 CO 0.00 3.32 1.94 0.23 0.00 0.00 0.00 173.10 178.59 2d8m h SER 124 N 12.71 0.00 0.00 1.64 0.87 -1.93 -3.45 113.55 123.39 2d8m h SER 124 Ca -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2d8m h SER 124 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2d8m h SER 124 CO 1.24 0.13 0.00 0.61 -0.53 0.00 0.00 176.83 178.27 2d8m n GLY 125 N -0.08 2.49 3.61 5.77 0.00 -1.26 -4.84 105.19 110.88 2d8m n GLY 125 Ca -0.00 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 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 3.54 -1.64 1.61 0.04 -1.26 -3.53 135.00 133.76 2d8m s PRO 126 Ca 0.00 1.43 -0.10 0.00 0.04 0.00 0.00 61.00 62.38 2d8m s PRO 126 Cb 0.00 -4.11 0.09 0.00 0.04 0.00 0.00 34.50 30.52 2d8m s PRO 126 CO 0.00 -1.60 0.36 0.43 0.04 0.00 0.00 177.00 176.23 2d8m n SER 127 N 9.36 -0.69 0.00 6.66 7.64 -1.26 -4.76 113.62 130.57 2d8m n SER 127 Ca 0.20 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 58.90 2d8m n SER 127 Cb 0.46 -2.02 0.00 0.00 -1.01 0.00 0.00 64.21 61.64 2d8m n SER 127 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2d8m n SER 128 N -2.75 2.42 0.00 6.43 7.64 -1.23 -5.04 113.62 121.08 2d8m n SER 128 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 2d8m n SER 128 Cb 0.60 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 2d8m n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64