#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 -0.67 -0.01 1.61 0.01 -1.26 -5.18 113.70 108.20 2d8m s SER 2 Ca 0.00 1.07 -0.30 0.00 1.31 0.00 0.00 55.95 58.03 2d8m s SER 2 Cb 0.00 1.01 0.11 0.00 0.21 0.00 0.00 66.02 67.34 2d8m s SER 2 CO 0.00 -0.38 1.07 -0.44 0.41 0.00 0.00 173.24 173.91 2d8m s SER 3 N -0.30 -0.19 0.00 2.44 0.01 -1.26 -5.14 113.70 109.26 2d8m s SER 3 Ca -0.04 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2d8m s SER 3 Cb -0.03 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2d8m s SER 3 CO 0.04 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.77 2d8m n GLY 4 N -0.32 2.20 3.15 3.44 0.00 -1.26 -5.16 105.19 107.23 2d8m n GLY 4 Ca -0.06 -0.63 0.05 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.44 -0.13 1.61 0.01 -1.26 -5.18 113.70 108.31 2d8m s SER 5 Ca 0.00 0.29 -0.31 0.00 1.31 0.00 0.00 55.95 57.24 2d8m s SER 5 Cb 0.00 1.38 0.13 0.00 0.21 0.00 0.00 66.02 67.73 2d8m s SER 5 CO 0.00 -0.08 1.05 -0.55 0.41 0.00 0.00 173.24 174.07 2d8m s SER 6 N 2.94 -0.28 0.00 2.44 0.15 -1.26 -5.11 113.70 112.59 2d8m s SER 6 Ca -0.01 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2d8m s SER 6 Cb -0.10 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 2d8m s SER 6 CO -0.11 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.56 2d8m n GLY 7 N 0.16 -0.71 3.09 9.45 0.00 -1.26 -5.11 105.19 110.82 2d8m n GLY 7 Ca -0.06 0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 3.01 1.08 1.61 2.02 -1.26 -5.08 118.70 120.07 2d8m s GLU 8 Ca 0.00 -3.03 -0.15 0.00 0.02 0.00 0.00 54.97 51.81 2d8m s GLU 8 Cb 0.00 -3.86 0.23 0.00 0.10 0.00 0.00 34.13 30.60 2d8m s GLU 8 CO 0.00 -1.24 1.10 -1.25 0.02 0.00 0.00 175.26 173.89 2d8m s PRO 9 N -0.93 -0.21 -0.04 0.39 0.04 -1.26 -5.08 135.00 127.91 2d8m s PRO 9 Ca 0.24 0.30 -0.31 0.00 0.04 0.00 0.00 61.00 61.27 2d8m s PRO 9 Cb -0.11 -1.68 0.12 0.00 0.04 0.00 0.00 34.50 32.86 2d8m s PRO 9 CO -0.10 -3.11 1.20 -0.98 0.04 0.00 0.00 177.00 174.05 2d8m s ARG 10 N -5.11 0.51 -0.21 4.56 1.04 -1.26 -5.18 118.95 113.29 2d8m s ARG 10 Ca 0.67 -0.25 -0.27 0.00 -1.04 0.00 0.00 55.73 54.84 2d8m s ARG 10 Cb -0.16 0.19 0.09 0.00 -2.04 0.00 0.00 34.95 33.03 2d8m s ARG 10 CO 0.57 -0.23 0.80 -0.98 -0.04 0.00 0.00 175.30 175.42 2d8m s ARG 11 N -2.58 0.81 0.50 3.89 3.03 -1.26 -5.04 118.95 118.30 2d8m s ARG 11 Ca 0.12 0.66 0.29 0.00 2.03 0.00 0.00 55.73 58.83 2d8m s ARG 11 Cb 0.02 0.39 1.21 0.00 -1.03 0.00 0.00 34.95 35.54 2d8m s ARG 11 CO -0.04 -0.16 1.94 -1.00 -1.13 0.00 0.00 175.30 174.91 2d8m h PRO 12 N 4.12 0.00 -6.72 3.89 0.13 -2.08 -3.45 132.00 127.89 2d8m h PRO 12 Ca -0.27 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.28 2d8m h PRO 12 Cb 1.16 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.44 2d8m h PRO 12 CO 0.17 0.12 0.04 0.54 -0.23 0.00 0.00 178.00 178.64 2d8m n ARG 13 N -3.30 0.94 -3.56 0.86 1.74 -1.26 -4.94 116.66 107.14 2d8m n ARG 13 Ca -0.00 0.36 -0.39 0.00 -0.77 0.00 0.00 57.85 57.05 2d8m n ARG 13 Cb 0.35 -2.05 -0.05 0.00 -1.02 0.00 0.00 32.46 29.68 2d8m n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2d8m s ALA 14 N -1.49 4.20 0.97 7.54 0.00 -1.26 -5.00 121.76 126.72 2d8m s ALA 14 Ca 0.71 -3.68 0.00 0.00 0.00 0.00 0.00 51.96 48.99 2d8m s ALA 14 Cb -0.46 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2d8m s ALA 14 CO 0.51 -2.17 0.00 0.41 0.00 0.00 0.00 175.76 174.51 2d8m n GLY 15 N 2.78 -0.37 0.00 0.00 0.00 -1.26 -4.87 105.19 101.47 2d8m n GLY 15 Ca 0.19 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.65 2d8m n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8m n PRO 16 N 0.00 0.49 -0.07 1.61 -0.04 -1.26 -3.12 135.00 132.61 2d8m n PRO 16 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 2d8m n PRO 16 Cb 0.00 -1.36 -0.11 0.00 -0.04 0.00 0.00 33.50 31.99 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 -0.64 0.54 4.57 -1.89 -1.42 114.58 115.75 2d8m h GLU 17 Ca 0.00 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.31 2d8m h GLU 17 Cb 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.49 2d8m h GLU 17 CO 0.00 0.88 0.10 1.49 -1.18 0.00 0.00 179.01 180.29 2d8m h GLU 18 N -1.00 0.20 -0.05 1.92 4.81 -1.88 0.46 114.58 119.05 2d8m h GLU 18 Ca -0.01 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.08 2d8m h GLU 18 Cb 0.89 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.23 2d8m h GLU 18 CO -0.00 0.14 -0.47 -0.07 -0.73 0.00 0.00 179.01 177.87 2d8m h LEU 19 N 0.21 0.49 -2.32 1.64 -0.00 -1.72 -3.14 115.31 110.47 2d8m h LEU 19 Ca 0.34 -0.70 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 2d8m h LEU 19 Cb 0.54 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 2d8m h LEU 19 CO -0.47 1.12 0.09 1.23 -0.00 0.00 0.00 178.44 180.41 2d8m h GLY 20 N -0.09 0.00 -0.09 0.83 0.00 0.91 0.29 103.07 104.92 2d8m h GLY 20 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2d8m h GLY 20 CO 0.10 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.92 2d8m n LYS 21 N -2.79 1.45 -0.08 4.80 4.76 0.09 -3.02 118.16 123.37 2d8m n LYS 21 Ca -0.02 -0.67 -0.08 0.00 -2.87 0.00 0.00 58.31 54.68 2d8m n LYS 21 Cb 0.14 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 31.85 2d8m n LYS 21 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2d8m n ILE 22 N -0.17 1.44 -1.54 -0.18 5.41 0.10 -4.49 119.36 119.93 2d8m n ILE 22 Ca 0.19 0.18 -0.31 0.00 1.00 0.00 0.00 62.75 63.80 2d8m n ILE 22 Cb 0.26 -2.34 0.06 0.00 -0.71 0.00 0.00 39.64 36.92 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 -4.58 6.81 -4.60 1.39 4.77 0.80 -4.81 117.00 116.77 2d8m n LEU 23 Ca -0.11 -4.41 -0.43 0.00 -0.03 0.00 0.00 56.01 51.02 2d8m n LEU 23 Cb 0.34 -0.78 -0.03 0.00 -2.33 0.00 0.00 43.42 40.62 2d8m n LEU 23 CO 0.12 1.66 1.66 -1.58 -1.33 0.00 0.00 177.39 177.91 2d8m s GLN 24 N -3.74 3.30 0.00 3.23 2.00 -1.17 -2.14 119.66 121.14 2d8m s GLN 24 Ca 0.60 1.73 0.00 0.00 -2.00 0.00 0.00 55.36 55.69 2d8m s GLN 24 Cb 0.48 -4.26 0.00 0.00 0.80 0.00 0.00 33.01 30.03 2d8m s GLN 24 CO 0.01 -1.90 0.00 0.41 -0.50 0.00 0.00 175.29 173.30 2d8m n GLY 25 N 5.50 1.51 3.32 2.59 0.00 -1.26 -5.08 105.19 111.77 2d8m n GLY 25 Ca 0.25 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.03 1.97 -0.19 1.61 1.01 -0.91 -5.05 120.40 116.82 2d8m s VAL 26 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.60 2d8m s VAL 26 Cb 0.00 -1.71 0.04 0.00 0.00 0.00 0.00 36.38 34.72 2d8m s VAL 26 CO 0.00 0.25 -0.08 -0.69 0.00 0.00 0.00 175.10 174.58 2d8m s VAL 27 N -0.86 1.39 0.15 2.92 1.01 -1.26 -0.59 120.40 123.16 2d8m s VAL 27 Ca 0.10 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.28 2d8m s VAL 27 Cb -0.10 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2d8m s VAL 27 CO 0.03 0.12 0.04 0.68 0.00 0.00 0.00 175.10 175.97 2d8m s VAL 28 N 1.50 3.99 -0.05 2.92 -7.23 -0.25 -2.46 120.40 118.82 2d8m s VAL 28 Ca -0.01 -1.24 0.03 0.00 -1.81 0.00 0.00 61.98 58.95 2d8m s VAL 28 Cb -0.16 -2.99 0.01 0.00 0.56 0.00 0.00 36.38 33.80 2d8m s VAL 28 CO -0.08 -0.06 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.83 2d8m s VAL 29 N -1.64 1.18 -0.11 1.32 1.01 -1.22 -2.86 120.40 118.08 2d8m s VAL 29 Ca 0.28 -0.54 -0.26 0.00 0.00 0.00 0.00 61.98 61.46 2d8m s VAL 29 Cb -0.10 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 2d8m s VAL 29 CO 0.20 0.36 0.86 -0.76 0.00 0.00 0.00 175.10 175.75 2d8m s LEU 30 N 0.43 4.24 -0.21 3.92 1.43 -1.25 -2.29 118.68 124.95 2d8m s LEU 30 Ca -0.10 1.31 -0.04 0.00 -1.03 0.00 0.00 54.13 54.27 2d8m s LEU 30 Cb -0.14 -3.31 0.10 0.00 0.03 0.00 0.00 46.19 42.88 2d8m s LEU 30 CO 0.03 -0.33 0.26 -0.94 0.23 0.00 0.00 176.35 175.60 2d8m s SER 31 N 1.05 1.06 0.00 2.29 1.04 -1.20 -4.90 113.70 113.04 2d8m s SER 31 Ca 0.42 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.76 2d8m s SER 31 Cb -0.18 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2d8m s SER 31 CO 0.17 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.68 2d8m n GLY 32 N 5.33 0.87 3.26 7.32 0.00 -1.26 -3.09 105.19 117.63 2d8m n GLY 32 Ca -0.05 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.36 1.43 -0.05 1.61 0.08 -1.26 -4.54 117.98 112.90 2d8m s PHE 33 Ca 0.00 -0.61 -0.03 0.00 0.12 0.00 0.00 56.93 56.42 2d8m s PHE 33 Cb 0.00 -0.72 0.03 0.00 -0.57 0.00 0.00 43.02 41.75 2d8m s PHE 33 CO 0.00 0.17 0.12 -0.65 -0.10 0.00 0.00 175.22 174.76 2d8m s GLN 34 N -3.11 0.09 0.75 0.44 -0.21 -1.26 -4.80 119.66 111.56 2d8m s GLN 34 Ca 0.13 0.26 -0.15 0.00 0.02 0.00 0.00 55.36 55.62 2d8m s GLN 34 Cb -0.02 -0.09 0.03 0.00 1.00 0.00 0.00 33.01 33.92 2d8m s GLN 34 CO 0.03 -0.10 1.03 0.27 -2.12 0.00 0.00 175.29 174.40 2d8m n ASN 35 N 3.73 0.63 0.13 5.90 0.23 -1.26 -1.34 115.26 123.28 2d8m n ASN 35 Ca -0.21 0.64 -0.01 0.00 -0.53 0.00 0.00 54.58 54.48 2d8m n ASN 35 Cb 0.55 -1.44 0.24 0.00 -2.08 0.00 0.00 39.78 37.05 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 -0.43 0.09 -0.72 -0.53 0.13 -2.01 -3.44 132.00 125.09 2d8m h PRO 36 Ca -0.47 -0.05 0.07 0.00 -0.87 0.00 0.00 66.00 64.68 2d8m h PRO 36 Cb 1.32 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.36 2d8m h PRO 36 CO 0.46 0.55 -0.41 0.34 -0.23 0.00 0.00 178.00 178.72 2d8m n PHE 37 N -3.97 -0.28 -0.23 1.56 7.35 -0.98 0.12 117.46 121.03 2d8m n PHE 37 Ca -0.02 0.90 0.02 0.00 -0.76 0.00 0.00 57.45 57.60 2d8m n PHE 37 Cb 0.51 -0.58 0.11 0.00 0.35 0.00 0.00 39.48 39.87 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 0.06 0.69 -4.13 2.43 -1.50 0.15 114.38 112.08 2d8m h ARG 38 Ca 0.13 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2d8m h ARG 38 Cb 0.31 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2d8m h ARG 38 CO -0.69 0.04 -0.33 0.77 -1.51 0.00 0.00 179.97 178.25 2d8m h SER 39 N 0.06 -0.79 -0.43 -3.80 0.02 0.66 -2.80 113.55 106.47 2d8m h SER 39 Ca 0.36 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.37 2d8m h SER 39 Cb 0.58 0.20 -0.09 0.00 0.14 0.00 0.00 62.40 63.24 2d8m h SER 39 CO -0.65 -0.45 -0.42 -0.08 -1.14 0.00 0.00 176.83 174.09 2d8m h GLU 40 N -1.12 -0.30 -0.63 3.45 4.57 -0.08 -1.37 114.58 119.10 2d8m h GLU 40 Ca -0.09 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.20 2d8m h GLU 40 Cb 0.74 0.07 -0.11 0.00 -0.16 0.00 0.00 28.75 29.29 2d8m h GLU 40 CO 0.16 -0.20 -0.41 1.25 -1.18 0.00 0.00 179.01 178.63 2d8m h LEU 41 N -0.31 -1.41 -0.38 1.64 5.85 -0.75 0.01 115.31 119.97 2d8m h LEU 41 Ca 0.15 0.25 0.08 0.00 0.84 0.00 0.00 57.88 59.19 2d8m h LEU 41 Cb 0.58 0.66 -0.08 0.00 0.37 0.00 0.00 40.66 42.19 2d8m h LEU 41 CO -0.59 -0.32 -0.14 -0.09 -0.34 0.00 0.00 178.44 176.96 2d8m h ARG 42 N -0.18 -0.06 -0.41 1.25 2.43 -1.01 0.30 114.38 116.70 2d8m h ARG 42 Ca 0.21 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.47 2d8m h ARG 42 Cb 0.56 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.03 2d8m h ARG 42 CO -0.72 -0.04 -0.21 -0.44 -1.51 0.00 0.00 179.97 177.05 2d8m h ASP 43 N -0.06 -0.72 -0.60 -3.80 3.32 -0.06 0.16 116.42 114.66 2d8m h ASP 43 Ca 0.19 0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 2d8m h ASP 43 Cb 0.35 0.38 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 2d8m h ASP 43 CO -0.42 -0.24 0.36 0.11 -1.72 0.00 0.00 179.24 177.33 2d8m h LYS 44 N -0.14 0.82 -1.00 3.56 1.57 -0.47 -2.36 116.57 118.55 2d8m h LYS 44 Ca 0.20 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2d8m h LYS 44 Cb 0.44 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 2d8m h LYS 44 CO -0.49 0.58 0.66 0.00 -0.57 0.00 0.00 179.45 179.63 2d8m h ALA 45 N 1.18 1.31 -0.13 3.86 0.00 0.28 -2.67 119.26 123.09 2d8m h ALA 45 Ca 0.22 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2d8m h ALA 45 Cb -0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 2d8m h ALA 45 CO -0.04 0.62 0.07 -0.07 0.00 0.00 0.00 179.25 179.83 2d8m h LEU 46 N 1.32 0.17 -0.50 0.00 3.38 -0.27 -2.90 115.31 116.52 2d8m h LEU 46 Ca 0.38 -0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.36 2d8m h LEU 46 Cb -0.10 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.51 2d8m h LEU 46 CO -0.10 0.21 -0.24 -0.33 0.09 0.00 0.00 178.44 178.08 2d8m h GLU 47 N 0.11 -0.12 -0.41 1.13 4.39 -1.09 0.54 114.58 119.13 2d8m h GLU 47 Ca 0.05 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.87 2d8m h GLU 47 Cb 0.08 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2d8m h GLU 47 CO -0.01 -0.08 0.57 -0.07 -1.16 0.00 0.00 179.01 178.26 2d8m h LEU 48 N -0.13 0.00 0.00 1.33 3.38 -1.39 0.37 115.31 118.87 2d8m h LEU 48 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2d8m h LEU 48 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2d8m h LEU 48 CO -0.58 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.56 2d8m n GLY 49 N -1.47 1.23 3.92 0.83 0.00 0.19 -0.14 105.19 109.75 2d8m n GLY 49 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 3.87 0.06 4.61 0.00 -1.11 -4.01 121.76 123.18 2d8m s ALA 50 Ca 0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 51.00 2d8m s ALA 50 Cb 0.00 -1.97 -0.06 0.00 0.00 0.00 0.00 23.12 21.09 2d8m s ALA 50 CO 0.00 0.55 0.48 0.15 0.00 0.00 0.00 175.76 176.94 2d8m s LYS 51 N -3.07 3.99 -0.20 0.00 3.01 0.24 -4.30 119.74 119.41 2d8m s LYS 51 Ca 0.38 0.49 -0.06 0.00 -1.01 0.00 0.00 55.97 55.77 2d8m s LYS 51 Cb -0.11 -3.13 -0.03 0.00 -1.01 0.00 0.00 37.83 33.54 2d8m s LYS 51 CO 0.28 0.61 0.02 -0.47 0.51 0.00 0.00 175.35 176.31 2d8m s TYR 52 N -1.21 3.09 0.04 3.18 5.04 -1.26 -1.09 117.35 125.14 2d8m s TYR 52 Ca 0.29 -0.31 0.09 0.00 -2.44 0.00 0.00 57.07 54.70 2d8m s TYR 52 Cb -0.17 -2.10 -0.03 0.00 0.35 0.00 0.00 41.96 40.01 2d8m s TYR 52 CO 0.17 -0.15 -0.24 1.03 -1.34 0.00 0.00 175.55 175.01 2d8m s ARG 53 N 0.92 1.67 0.18 4.97 1.81 -1.13 -5.04 118.95 122.33 2d8m s ARG 53 Ca 0.02 -1.04 -0.06 0.00 -1.72 0.00 0.00 55.73 52.93 2d8m s ARG 53 Cb -0.14 -1.81 0.08 0.00 -0.45 0.00 0.00 34.95 32.63 2d8m s ARG 53 CO 0.02 0.47 1.53 -1.00 -0.68 0.00 0.00 175.30 175.64 2d8m h PRO 54 N 4.86 0.74 -4.75 3.54 0.13 -1.93 -3.33 132.00 131.26 2d8m h PRO 54 Ca -0.45 -0.39 -0.27 0.00 -0.87 0.00 0.00 66.00 64.02 2d8m h PRO 54 Cb 1.15 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.12 2d8m h PRO 54 CO 0.44 1.01 -0.72 0.16 -0.23 0.00 0.00 178.00 178.67 2d8m s ASP 55 N -6.85 1.20 -0.09 1.44 1.47 -1.26 -4.83 116.67 107.75 2d8m s ASP 55 Ca -0.09 -0.85 -0.39 0.00 1.18 0.00 0.00 52.55 52.40 2d8m s ASP 55 Cb 0.12 0.05 -0.17 0.00 -0.34 0.00 0.00 42.92 42.58 2d8m s ASP 55 CO 0.85 -0.34 1.47 1.87 0.68 0.00 0.00 175.17 179.71 2d8m n TRP 56 N 0.45 1.64 -4.43 2.11 -0.00 -1.26 -4.96 117.44 110.98 2d8m n TRP 56 Ca -0.15 0.67 -0.26 0.00 -0.00 0.00 0.00 57.50 57.76 2d8m n TRP 56 Cb 0.59 -2.35 -0.10 0.00 -0.00 0.00 0.00 31.31 29.45 2d8m n TRP 56 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 2d8m s THR 57 N 1.68 2.31 -0.73 5.87 -4.23 -1.26 -5.01 115.64 114.27 2d8m s THR 57 Ca 0.91 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.62 2d8m s THR 57 Cb -1.06 -2.84 0.19 0.00 1.34 0.00 0.00 72.50 70.13 2d8m s THR 57 CO 0.57 -0.12 1.60 -1.14 -0.54 0.00 0.00 174.62 174.98 2d8m n ARG 58 N -0.96 0.10 0.00 3.99 0.63 -1.26 -1.77 116.66 117.39 2d8m n ARG 58 Ca -0.04 0.34 0.11 0.00 -0.92 0.00 0.00 57.85 57.33 2d8m n ARG 58 Cb 0.64 -1.69 0.05 0.00 0.45 0.00 0.00 32.46 31.91 2d8m n ARG 58 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2d8m n ASP 59 N -1.88 2.43 -4.65 6.15 9.92 -1.26 -4.94 116.55 122.31 2d8m n ASP 59 Ca 0.03 -1.72 -0.42 0.00 -0.53 0.00 0.00 54.79 52.15 2d8m n ASP 59 Cb 0.20 0.21 -0.03 0.00 -0.64 0.00 0.00 41.12 40.87 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 -2.06 6.54 -0.25 -2.24 0.01 -0.73 -4.52 113.70 110.45 2d8m s SER 60 Ca 0.22 2.11 -0.09 0.00 1.31 0.00 0.00 55.95 59.49 2d8m s SER 60 Cb 0.18 -2.53 -0.16 0.00 0.21 0.00 0.00 66.02 63.72 2d8m s SER 60 CO 0.39 -1.05 -0.19 0.35 0.41 0.00 0.00 173.24 173.15 2d8m n THR 61 N 5.79 1.54 -4.69 1.44 -2.24 -1.03 -4.82 114.28 110.28 2d8m n THR 61 Ca 0.18 -0.43 -0.26 0.00 -2.27 0.00 0.00 64.05 61.28 2d8m n THR 61 Cb 0.43 -1.74 -0.14 0.00 -2.10 0.00 0.00 70.33 66.78 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 -2.50 1.80 -0.25 4.78 3.76 -1.03 -2.30 115.29 119.55 2d8m s HIS 62 Ca -0.35 -0.37 -0.04 0.00 -0.15 0.00 0.00 55.06 54.15 2d8m s HIS 62 Cb 0.11 -1.08 0.01 0.00 1.11 0.00 0.00 32.58 32.73 2d8m s HIS 62 CO 0.56 0.07 -0.02 -1.17 -0.85 0.00 0.00 174.74 173.34 2d8m s LEU 63 N -1.07 3.26 -0.91 0.89 2.96 0.53 -3.41 118.68 120.93 2d8m s LEU 63 Ca 0.07 -0.65 -0.22 0.00 -0.22 0.00 0.00 54.13 53.11 2d8m s LEU 63 Cb -0.09 -1.75 0.07 0.00 0.50 0.00 0.00 46.19 44.93 2d8m s LEU 63 CO 0.01 -0.11 1.27 -0.63 -1.32 0.00 0.00 176.35 175.58 2d8m s ILE 64 N 1.43 4.19 -0.13 6.68 -1.09 -0.97 -2.06 121.20 129.25 2d8m s ILE 64 Ca 0.03 -0.81 -0.12 0.00 -2.23 0.00 0.00 60.65 57.52 2d8m s ILE 64 Cb -0.16 -4.91 -0.05 0.00 -1.58 0.00 0.00 42.46 35.76 2d8m s ILE 64 CO -0.02 -1.74 0.26 0.00 -1.23 0.00 0.00 174.94 172.21 2d8m h ALA 66 N 6.01 0.51 -2.12 0.00 0.00 -1.78 -3.06 119.26 118.83 2d8m h ALA 66 Ca -0.46 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 53.92 2d8m h ALA 66 Cb 1.18 -0.10 -0.19 0.00 0.00 0.00 0.00 17.79 18.68 2d8m h ALA 66 CO 0.70 0.63 0.09 -0.59 0.00 0.00 0.00 179.25 180.07 2d8m s PHE 67 N -4.32 -0.56 1.24 0.00 -0.12 -1.26 -4.78 117.98 108.17 2d8m s PHE 67 Ca -0.11 0.99 -0.21 0.00 -0.05 0.00 0.00 56.93 57.55 2d8m s PHE 67 Cb 0.10 0.33 0.31 0.00 -0.63 0.00 0.00 43.02 43.14 2d8m s PHE 67 CO 0.87 -0.55 0.94 0.00 -0.05 0.00 0.00 175.22 176.44 2d8m n ALA 68 N 1.10 -3.89 -3.22 1.99 0.00 -1.26 -4.36 120.51 110.88 2d8m n ALA 68 Ca -0.19 -1.49 -0.16 0.00 0.00 0.00 0.00 53.44 51.60 2d8m n ALA 68 Cb 0.57 -0.11 0.07 0.00 0.00 0.00 0.00 19.45 19.97 2d8m n ALA 68 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2d8m n ASN 69 N -5.11 -3.43 -4.43 0.00 3.02 -1.26 -5.03 115.26 99.02 2d8m n ASN 69 Ca 0.14 -0.46 -0.23 0.00 -0.03 0.00 0.00 54.58 53.99 2d8m n ASN 69 Cb 0.55 -4.11 -0.10 0.00 -0.61 0.00 0.00 39.78 35.51 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 -3.27 2.27 0.13 3.41 -4.23 -1.26 -5.03 115.64 107.66 2d8m s THR 70 Ca 0.19 -2.28 0.34 0.00 -1.18 0.00 0.00 61.69 58.76 2d8m s THR 70 Cb -0.08 -2.19 0.40 0.00 1.34 0.00 0.00 72.50 71.96 2d8m s THR 70 CO 0.57 -0.39 2.00 1.55 -0.54 0.00 0.00 174.62 177.81 2d8m h PRO 71 N 2.53 0.00 0.04 3.99 0.13 -1.96 -2.97 132.00 133.76 2d8m h PRO 71 Ca -0.41 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.39 2d8m h PRO 71 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 2d8m h PRO 71 CO 0.58 0.00 -1.92 1.17 -0.23 0.00 0.00 178.00 177.60 2d8m n LYS 72 N -3.09 0.68 -0.30 0.86 3.00 -1.26 -3.40 118.16 114.64 2d8m n LYS 72 Ca 0.00 0.24 -0.05 0.00 -0.00 0.00 0.00 58.31 58.50 2d8m n LYS 72 Cb 0.30 -1.72 0.07 0.00 0.00 0.00 0.00 35.03 33.68 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 0.02 1.22 -0.04 5.64 5.03 -1.91 -0.83 116.97 126.11 2d8m h TYR 73 Ca -0.38 -0.08 -0.20 0.00 2.58 0.00 0.00 58.73 60.66 2d8m h TYR 73 Cb 2.04 -0.37 -0.00 0.00 1.55 0.00 0.00 36.73 39.95 2d8m h TYR 73 CO 0.03 0.90 -0.82 1.03 -1.32 0.00 0.00 178.16 177.98 2d8m h SER 74 N 1.19 0.47 -0.32 -2.11 0.87 -1.69 -1.65 113.55 110.31 2d8m h SER 74 Ca 0.28 -0.34 -0.05 0.00 -1.23 0.00 0.00 61.79 60.45 2d8m h SER 74 Cb 0.17 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2d8m h SER 74 CO -0.03 1.11 0.01 -0.61 -0.53 0.00 0.00 176.83 176.78 2d8m h GLN 75 N 0.24 0.55 0.00 2.24 5.75 -1.50 -2.59 115.11 119.80 2d8m h GLN 75 Ca -0.05 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 2d8m h GLN 75 Cb 1.42 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.92 2d8m h GLN 75 CO 0.14 0.67 0.00 0.28 -2.65 0.00 0.00 178.83 177.27 2d8m h VAL 76 N 0.35 0.00 -0.06 2.39 2.07 -1.20 -3.09 116.25 116.72 2d8m h VAL 76 Ca 0.09 -0.47 -0.24 0.00 0.82 0.00 0.00 66.70 66.91 2d8m h VAL 76 Cb 0.42 1.43 0.02 0.00 -1.52 0.00 0.00 31.29 31.63 2d8m h VAL 76 CO 0.01 0.00 -0.90 0.25 0.02 0.00 0.00 177.57 176.96 2d8m h LEU 77 N 0.00 0.89 -0.05 2.57 5.85 -0.99 -2.11 115.31 121.47 2d8m h LEU 77 Ca 0.00 -0.70 -0.24 0.00 0.84 0.00 0.00 57.88 57.78 2d8m h LEU 77 Cb 0.69 -0.27 0.02 0.00 0.37 0.00 0.00 40.66 41.47 2d8m h LEU 77 CO 0.00 1.46 -0.92 1.23 -0.34 0.00 0.00 178.44 179.87 2d8m h GLY 78 N 0.40 0.79 0.59 3.75 0.00 -1.49 -3.32 103.07 103.80 2d8m h GLY 78 Ca -0.10 -1.29 0.02 0.00 0.00 0.00 0.00 47.33 45.97 2d8m h GLY 78 CO 0.18 1.15 -0.18 1.41 0.00 0.00 0.00 176.54 179.10 2d8m h LEU 79 N 0.40 -0.51 0.00 3.11 3.38 -1.63 -3.47 115.31 116.59 2d8m h LEU 79 Ca -0.10 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2d8m h LEU 79 Cb 1.57 0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2d8m h LEU 79 CO 0.18 -0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.08 2d8m n GLY 80 N -1.31 1.16 3.92 0.83 0.00 -1.16 -5.13 105.19 103.51 2d8m n GLY 80 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.16 1.42 -0.77 -0.02 0.00 -0.80 -5.01 107.32 100.97 2d8m s GLY 81 Ca 0.00 -0.70 -0.26 0.00 0.00 0.00 0.00 44.72 43.76 2d8m s GLY 81 CO 0.00 -0.58 1.28 -1.60 0.00 0.00 0.00 173.10 172.20 2d8m s ARG 82 N -4.54 3.24 -0.48 2.90 6.06 -0.97 -4.77 118.95 120.38 2d8m s ARG 82 Ca 0.44 -0.40 -0.25 0.00 -2.50 0.00 0.00 55.73 53.01 2d8m s ARG 82 Cb -0.10 -4.34 0.03 0.00 0.06 0.00 0.00 34.95 30.60 2d8m s ARG 82 CO 0.41 -2.13 0.93 0.42 -2.50 0.00 0.00 175.30 172.42 2d8m s ILE 83 N 5.51 4.45 0.21 4.11 1.01 -1.26 -0.35 121.20 134.89 2d8m s ILE 83 Ca 0.36 0.62 0.08 0.00 0.00 0.00 0.00 60.65 61.71 2d8m s ILE 83 Cb -0.08 -4.46 -0.05 0.00 0.01 0.00 0.00 42.46 37.89 2d8m s ILE 83 CO 0.11 -0.91 -0.15 0.68 0.00 0.00 0.00 174.94 174.67 2d8m s VAL 84 N 3.80 1.85 0.73 2.92 -7.23 -0.87 -1.22 120.40 120.38 2d8m s VAL 84 Ca 0.35 -2.23 -0.12 0.00 -1.81 0.00 0.00 61.98 58.17 2d8m s VAL 84 Cb -0.11 -2.07 0.18 0.00 0.56 0.00 0.00 36.38 34.94 2d8m s VAL 84 CO 0.25 -0.56 0.75 0.54 -0.31 0.00 0.00 175.10 175.77 2d8m n ARG 85 N -0.39 -1.84 0.04 4.82 1.74 -1.19 -2.18 116.66 117.66 2d8m n ARG 85 Ca -0.08 -1.18 -0.13 0.00 -0.77 0.00 0.00 57.85 55.69 2d8m n ARG 85 Cb 0.60 -0.98 -0.14 0.00 -1.02 0.00 0.00 32.46 30.92 2d8m n ARG 85 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 2d8m h LYS 86 N 0.00 0.15 -1.27 5.56 2.10 -1.84 -3.32 116.57 117.94 2d8m h LYS 86 Ca -0.27 -0.25 0.37 0.00 -2.00 0.00 0.00 60.65 58.50 2d8m h LYS 86 Cb 0.78 0.09 -0.06 0.00 -0.90 0.00 0.00 32.23 32.15 2d8m h LYS 86 CO 0.18 0.95 0.91 0.93 -2.00 0.00 0.00 179.45 180.42 2d8m h GLU 87 N 0.04 0.03 0.03 0.07 5.08 -1.94 -1.52 114.58 116.37 2d8m h GLU 87 Ca -0.22 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2d8m h GLU 87 Cb 1.97 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.21 2d8m h GLU 87 CO 0.13 0.02 -0.05 2.35 -1.00 0.00 0.00 179.01 180.47 2d8m h TRP 88 N 0.03 -0.13 0.13 4.33 7.01 -1.96 0.14 115.95 125.50 2d8m h TRP 88 Ca 0.62 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.62 2d8m h TRP 88 Cb 2.40 0.05 0.00 0.00 -2.10 0.00 0.00 29.16 29.51 2d8m h TRP 88 CO -0.00 -0.06 -0.06 -0.24 -2.79 0.00 0.00 178.44 175.29 2d8m h VAL 89 N -0.08 0.93 -0.76 2.65 3.04 -1.63 0.15 116.25 120.55 2d8m h VAL 89 Ca -0.00 -0.21 0.15 0.00 -1.01 0.00 0.00 66.70 65.63 2d8m h VAL 89 Cb 0.08 1.06 -0.14 0.00 -2.01 0.00 0.00 31.29 30.27 2d8m h VAL 89 CO -0.02 0.05 -0.17 -0.07 -1.01 0.00 0.00 177.57 176.36 2d8m h LEU 90 N -0.27 -0.67 -0.02 3.16 3.38 -1.31 -0.76 115.31 118.82 2d8m h LEU 90 Ca -0.02 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2d8m h LEU 90 Cb 0.22 0.46 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2d8m h LEU 90 CO 0.03 -0.25 -0.05 0.44 0.09 0.00 0.00 178.44 178.70 2d8m h ASP 91 N 0.01 0.08 -0.96 -0.43 3.32 -0.58 -2.81 116.42 115.06 2d8m h ASP 91 Ca 0.37 -0.59 0.29 0.00 0.02 0.00 0.00 57.03 57.12 2d8m h ASP 91 Cb 0.58 -0.02 -0.17 0.00 0.22 0.00 0.00 39.33 39.93 2d8m h ASP 91 CO -0.77 0.66 0.20 0.00 -1.72 0.00 0.00 179.24 177.61 2d8m h HIS 93 N 0.07 -0.62 -0.95 0.00 -0.00 -1.21 0.26 115.15 112.71 2d8m h HIS 93 Ca 0.64 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 61.08 2d8m h HIS 93 Cb 1.40 0.20 -0.11 0.00 -0.00 0.00 0.00 27.41 28.90 2d8m h HIS 93 CO -0.32 -0.38 -0.56 -2.13 -0.00 0.00 0.00 177.93 174.54 2d8m n ARG 94 N -4.94 -0.42 0.10 5.26 3.00 -0.28 0.17 116.66 119.54 2d8m n ARG 94 Ca -0.08 1.48 0.12 0.00 -0.00 0.00 0.00 57.85 59.37 2d8m n ARG 94 Cb 0.26 -2.18 0.45 0.00 0.00 0.00 0.00 32.46 31.00 2d8m n ARG 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 2d8m n MET 95 N -5.13 0.18 -3.78 -0.14 2.81 0.37 -4.90 117.12 106.53 2d8m n MET 95 Ca 0.02 0.30 -0.27 0.00 -1.81 0.00 0.00 57.70 55.94 2d8m n MET 95 Cb 0.25 -1.78 0.04 0.00 -0.71 0.00 0.00 33.22 31.02 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 -2.11 -6.06 -4.11 0.03 1.74 0.44 -4.98 116.66 101.62 2d8m n ARG 96 Ca 0.04 0.67 -0.10 0.00 -0.77 0.00 0.00 57.85 57.69 2d8m n ARG 96 Cb 0.30 -5.55 -0.09 0.00 -1.02 0.00 0.00 32.46 26.10 2d8m n ARG 96 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2d8m s ARG 97 N -6.38 1.01 -0.41 5.56 1.70 -0.33 -4.98 118.95 115.11 2d8m s ARG 97 Ca 0.50 -1.39 -0.22 0.00 -0.47 0.00 0.00 55.73 54.16 2d8m s ARG 97 Cb -0.24 0.28 0.02 0.00 -0.57 0.00 0.00 34.95 34.43 2d8m s ARG 97 CO 0.80 -0.31 0.69 0.50 -1.08 0.00 0.00 175.30 175.90 2d8m s ARG 98 N -4.04 3.46 0.07 3.89 3.52 -1.26 -4.53 118.95 120.07 2d8m s ARG 98 Ca 0.24 -0.12 -0.04 0.00 -0.13 0.00 0.00 55.73 55.67 2d8m s ARG 98 Cb 0.06 -3.90 -0.05 0.00 -1.56 0.00 0.00 34.95 29.51 2d8m s ARG 98 CO 0.02 -0.95 0.30 -0.51 -0.81 0.00 0.00 175.30 173.35 2d8m s LEU 99 N 2.95 4.33 -0.15 -0.88 1.43 -1.26 -5.05 118.68 120.05 2d8m s LEU 99 Ca 0.26 0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 53.57 2d8m s LEU 99 Cb -0.14 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.06 2d8m s LEU 99 CO 0.19 0.16 1.56 -2.16 0.23 0.00 0.00 176.35 176.33 2d8m s PRO 100 N -2.28 4.02 0.47 1.29 0.04 -1.26 -4.89 135.00 132.38 2d8m s PRO 100 Ca 0.34 1.85 0.17 0.00 0.04 0.00 0.00 61.00 63.41 2d8m s PRO 100 Cb -0.13 -3.97 1.12 0.00 0.04 0.00 0.00 34.50 31.57 2d8m s PRO 100 CO 0.22 -1.02 2.02 1.03 0.04 0.00 0.00 177.00 179.29 2d8m h SER 101 N 9.82 0.00 -0.53 6.66 0.87 -1.96 -2.26 113.55 126.15 2d8m h SER 101 Ca -0.34 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.37 2d8m h SER 101 Cb 1.15 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.09 2d8m h SER 101 CO 0.98 0.16 0.51 -0.61 -0.53 0.00 0.00 176.83 177.34 2d8m h GLN 102 N 0.00 0.00 0.00 2.24 4.15 -1.99 0.58 115.11 120.09 2d8m h GLN 102 Ca -0.00 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.26 2d8m h GLN 102 Cb 0.30 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 2d8m h GLN 102 CO 0.02 0.00 -0.85 0.00 -1.93 0.00 0.00 178.83 176.07 2d8m h ARG 103 N 0.00 0.00 -0.78 1.69 3.08 -1.81 -3.28 114.38 113.28 2d8m h ARG 103 Ca 0.25 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.82 2d8m h ARG 103 Cb 1.27 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 31.06 2d8m h ARG 103 CO -0.00 0.67 0.28 0.66 -1.07 0.00 0.00 179.97 180.51 2d8m n TYR 104 N -3.23 2.53 -2.69 3.04 4.02 0.20 -4.98 117.16 116.05 2d8m n TYR 104 Ca -0.01 -2.22 -0.43 0.00 -0.01 0.00 0.00 57.90 55.23 2d8m n TYR 104 Cb 0.84 -0.89 -0.02 0.00 -0.02 0.00 0.00 39.34 39.25 2d8m n TYR 104 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2d8m s LEU 105 N -3.50 3.96 -0.12 7.72 1.43 -0.79 -3.18 118.68 124.20 2d8m s LEU 105 Ca 0.55 0.98 -0.14 0.00 -1.03 0.00 0.00 54.13 54.49 2d8m s LEU 105 Cb 0.46 -3.46 -0.12 0.00 0.03 0.00 0.00 46.19 43.09 2d8m s LEU 105 CO 0.03 -0.84 0.39 0.24 0.23 0.00 0.00 176.35 176.40 2d8m h MET 106 N 8.10 -0.01 -3.22 1.70 2.86 -1.51 -3.46 114.93 119.39 2d8m h MET 106 Ca -0.21 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.08 2d8m h MET 106 Cb 1.07 0.00 -0.38 0.00 0.06 0.00 0.00 31.60 32.35 2d8m h MET 106 CO 1.01 0.46 -0.71 0.00 1.06 0.00 0.00 176.91 178.73 2d8m s ALA 107 N -2.47 0.12 -0.23 6.32 0.00 -1.25 -5.09 121.76 119.17 2d8m s ALA 107 Ca -0.09 0.27 -0.28 0.00 0.00 0.00 0.00 51.96 51.85 2d8m s ALA 107 Cb -0.01 -0.71 0.15 0.00 0.00 0.00 0.00 23.12 22.54 2d8m s ALA 107 CO 0.33 -0.57 1.13 0.20 0.00 0.00 0.00 175.76 176.86 2d8m s GLY 108 N 2.21 -0.10 0.17 0.00 0.00 -1.26 -4.51 107.32 103.83 2d8m s GLY 108 Ca 0.04 2.49 -0.07 0.00 0.00 0.00 0.00 44.72 47.18 2d8m s GLY 108 CO -0.04 1.30 1.52 -0.56 0.00 0.00 0.00 173.10 175.31 2d8m h PRO 109 N 2.83 0.80 0.00 2.90 0.13 -2.00 -3.49 132.00 133.17 2d8m h PRO 109 Ca -0.19 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2d8m h PRO 109 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2d8m h PRO 109 CO 0.24 1.05 0.00 0.41 -0.23 0.00 0.00 178.00 179.47 2d8m n GLY 110 N 0.09 -1.63 0.60 1.56 0.00 -1.26 -5.00 105.19 99.55 2d8m n GLY 110 Ca -0.02 -1.08 0.05 0.00 0.00 0.00 0.00 46.02 44.97 2d8m n GLY 110 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d8m n SER 111 N 1.42 2.03 0.03 1.61 3.41 -1.26 -4.79 113.62 116.07 2d8m n SER 111 Ca 0.00 -3.70 -0.10 0.00 -0.26 0.00 0.00 58.87 54.81 2d8m n SER 111 Cb 0.00 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 63.38 2d8m n SER 111 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2d8m h SER 112 N 0.84 -0.61 -0.19 4.04 0.87 -2.04 -1.53 113.55 114.92 2d8m h SER 112 Ca 0.04 0.09 -0.13 0.00 -1.23 0.00 0.00 61.79 60.56 2d8m h SER 112 Cb 1.12 0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 63.29 2d8m h SER 112 CO 0.07 -0.26 0.17 -0.24 -0.53 0.00 0.00 176.83 176.04 2d8m n SER 113 N -5.34 5.73 -4.58 6.23 2.88 -1.26 -4.82 113.62 112.47 2d8m n SER 113 Ca -0.04 -2.67 -0.33 0.00 -1.33 0.00 0.00 58.87 54.51 2d8m n SER 113 Cb 0.25 -1.08 -0.04 0.00 -0.75 0.00 0.00 64.21 62.59 2d8m n SER 113 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2d8m s GLU 114 N -0.74 2.98 0.37 -1.46 2.12 -0.58 -4.94 118.70 116.45 2d8m s GLU 114 Ca 0.13 -1.29 -0.18 0.00 0.36 0.00 0.00 54.97 53.99 2d8m s GLU 114 Cb 0.10 -5.31 -0.14 0.00 0.26 0.00 0.00 34.13 29.04 2d8m s GLU 114 CO -0.00 -3.34 0.04 0.39 -0.54 0.00 0.00 175.26 171.82 2d8m n GLU 115 N 8.42 0.00 -0.61 4.30 1.02 -1.26 -4.89 120.64 127.61 2d8m n GLU 115 Ca 0.45 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.29 2d8m n GLU 115 Cb 0.47 -0.87 0.26 0.00 -0.02 0.00 0.00 31.44 31.27 2d8m n GLU 115 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2d8m s ASP 116 N -0.87 0.26 -0.20 1.62 2.15 -1.26 -5.01 116.67 113.37 2d8m s ASP 116 Ca 0.51 1.09 0.01 0.00 0.43 0.00 0.00 52.55 54.60 2d8m s ASP 116 Cb -0.54 -1.64 -0.13 0.00 -0.30 0.00 0.00 42.92 40.32 2d8m s ASP 116 CO 0.55 -4.58 -0.18 -1.84 -0.17 0.00 0.00 175.17 168.95 2d8m n GLU 117 N -5.13 0.49 -2.44 4.34 -0.00 -1.26 -4.81 120.64 111.83 2d8m n GLU 117 Ca 0.08 0.12 -0.38 0.00 -0.00 0.00 0.00 57.16 56.98 2d8m n GLU 117 Cb 0.58 -1.39 -0.03 0.00 -0.00 0.00 0.00 31.44 30.59 2d8m n GLU 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2d8m s ALA 118 N -2.40 2.59 -0.28 -1.84 0.00 -1.26 -4.87 121.76 113.71 2d8m s ALA 118 Ca -0.27 -2.26 -0.17 0.00 0.00 0.00 0.00 51.96 49.26 2d8m s ALA 118 Cb 0.07 -4.57 0.11 0.00 0.00 0.00 0.00 23.12 18.73 2d8m s ALA 118 CO 0.45 -3.88 0.85 0.45 0.00 0.00 0.00 175.76 173.63 2d8m s SER 119 N 5.47 -0.70 -0.24 0.00 0.15 -1.26 -5.14 113.70 111.98 2d8m s SER 119 Ca 0.54 1.15 -0.20 0.00 0.70 0.00 0.00 55.95 58.13 2d8m s SER 119 Cb -0.00 1.27 -0.02 0.00 -1.71 0.00 0.00 66.02 65.56 2d8m s SER 119 CO -0.03 -0.18 0.63 -1.00 1.20 0.00 0.00 173.24 173.86 2d8m s HIS 120 N 1.31 3.31 0.12 3.44 3.76 -1.26 -4.97 115.29 120.99 2d8m s HIS 120 Ca -0.08 0.85 -0.30 0.00 -0.15 0.00 0.00 55.06 55.38 2d8m s HIS 120 Cb -0.04 -2.82 -0.10 0.00 1.11 0.00 0.00 32.58 30.72 2d8m s HIS 120 CO -0.15 -0.28 1.49 0.77 -0.85 0.00 0.00 174.74 175.72 2d8m h SER 121 N 7.76 -1.66 0.00 1.40 0.02 -2.00 -3.44 113.55 115.62 2d8m h SER 121 Ca -0.28 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2d8m h SER 121 Cb 1.13 0.67 0.00 0.00 0.14 0.00 0.00 62.40 64.34 2d8m h SER 121 CO 0.77 -0.38 0.00 0.61 -1.14 0.00 0.00 176.83 176.69 2d8m n GLY 122 N -1.35 0.00 0.84 -3.77 0.00 -1.26 -5.10 105.19 94.55 2d8m n GLY 122 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2d8m n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d8m n GLY 123 N 0.00 -1.83 3.40 -0.02 0.00 -1.26 -4.96 105.19 100.52 2d8m n GLY 123 Ca 0.00 -0.63 -0.45 0.00 0.00 0.00 0.00 46.02 44.94 2d8m n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8m s SER 124 N 0.00 6.66 0.02 1.61 0.01 -1.26 -5.00 113.70 115.74 2d8m s SER 124 Ca 0.00 -2.26 0.00 0.00 1.31 0.00 0.00 55.95 55.00 2d8m s SER 124 Cb 0.00 -2.33 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 2d8m s SER 124 CO 0.00 -0.89 -0.02 -0.83 0.41 0.00 0.00 173.24 171.91 2d8m s GLY 125 N 3.10 0.20 -0.89 3.44 0.00 -1.26 -5.09 107.32 106.82 2d8m s GLY 125 Ca 0.27 -0.49 -0.25 0.00 0.00 0.00 0.00 44.72 44.25 2d8m s GLY 125 CO -0.09 -0.54 1.94 2.56 0.00 0.00 0.00 173.10 176.97 2d8m s PRO 126 N -1.20 2.56 0.08 2.90 0.04 -1.26 -4.84 135.00 133.27 2d8m s PRO 126 Ca -0.13 -0.26 -0.33 0.00 0.04 0.00 0.00 61.00 60.32 2d8m s PRO 126 Cb -0.08 -5.04 -0.18 0.00 0.04 0.00 0.00 34.50 29.24 2d8m s PRO 126 CO -0.01 -3.36 1.61 0.77 0.04 0.00 0.00 177.00 176.06 2d8m h SER 127 N 11.41 -0.89 0.00 6.66 0.02 -1.98 -3.36 113.55 125.41 2d8m h SER 127 Ca 0.09 0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.96 2d8m h SER 127 Cb 1.01 0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.78 2d8m h SER 127 CO 1.21 -0.57 -0.97 -0.24 -1.14 0.00 0.00 176.83 175.12 2d8m n SER 128 N -5.50 1.84 0.00 3.07 2.88 -1.26 -5.34 113.62 109.31 2d8m n SER 128 Ca -0.13 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 2d8m n SER 128 Cb 0.39 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 2d8m n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42