#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9f s SER 2 N 0.00 0.63 -0.10 1.61 0.01 -1.26 -5.07 113.70 109.52 2d9f s SER 2 Ca 0.00 -0.08 -0.04 0.00 1.31 0.00 0.00 55.95 57.14 2d9f s SER 2 Cb 0.00 -0.23 -0.01 0.00 0.21 0.00 0.00 66.02 65.99 2d9f s SER 2 CO 0.00 -0.02 -0.08 0.77 0.41 0.00 0.00 173.24 174.32 2d9f h SER 3 N 6.74 0.00 0.00 2.44 4.64 -2.11 -3.51 113.55 121.75 2d9f h SER 3 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2d9f h SER 3 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2d9f h SER 3 CO 0.49 0.54 0.00 0.61 -0.87 0.00 0.00 176.83 177.60 2d9f n GLY 4 N 1.72 -1.32 3.62 -0.77 0.00 -1.26 -5.10 105.19 102.09 2d9f n GLY 4 Ca -0.03 0.53 -0.43 0.00 0.00 0.00 0.00 46.02 46.09 2d9f n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9f s SER 5 N -4.00 6.62 -0.60 1.61 0.01 -1.26 -4.98 113.70 111.09 2d9f s SER 5 Ca 0.00 0.90 -0.16 0.00 1.31 0.00 0.00 55.95 58.00 2d9f s SER 5 Cb 0.00 -2.54 0.15 0.00 0.21 0.00 0.00 66.02 63.84 2d9f s SER 5 CO 0.00 -1.18 0.56 -0.94 0.41 0.00 0.00 173.24 172.09 2d9f s SER 6 N 2.82 6.32 -0.53 2.44 1.04 -1.26 -4.95 113.70 119.57 2d9f s SER 6 Ca 0.54 -1.99 0.07 0.00 0.48 0.00 0.00 55.95 55.05 2d9f s SER 6 Cb -0.13 -2.21 0.24 0.00 0.10 0.00 0.00 66.02 64.03 2d9f s SER 6 CO 0.26 -0.80 0.63 0.61 0.98 0.00 0.00 173.24 174.93 2d9f n GLY 7 N 4.97 3.89 0.12 7.32 0.00 -1.26 -4.89 105.19 115.33 2d9f n GLY 7 Ca -0.08 -2.22 -0.12 0.00 0.00 0.00 0.00 46.02 43.61 2d9f n GLY 7 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2d9f h GLU 8 N 4.20 0.23 0.00 1.61 5.08 -2.05 -3.47 114.58 120.17 2d9f h GLU 8 Ca 0.15 -0.31 -0.32 0.00 -1.00 0.00 0.00 59.36 57.88 2d9f h GLU 8 Cb 0.76 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 30.05 2d9f h GLU 8 CO 0.66 1.07 -0.26 0.39 -1.00 0.00 0.00 179.01 179.87 2d9f n GLU 9 N -3.59 0.84 -0.99 2.33 1.02 -1.26 -5.12 120.64 113.86 2d9f n GLU 9 Ca -0.05 -1.94 -0.36 0.00 -0.02 0.00 0.00 57.16 54.79 2d9f n GLU 9 Cb 0.90 0.96 0.04 0.00 -0.02 0.00 0.00 31.44 33.32 2d9f n GLU 9 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2d9f n TRP 10 N -0.54 -4.59 -3.61 -0.32 7.02 -1.26 -4.91 117.44 109.22 2d9f n TRP 10 Ca -0.05 0.06 -0.36 0.00 -1.02 0.00 0.00 57.50 56.13 2d9f n TRP 10 Cb 0.34 -1.44 -0.07 0.00 -2.42 0.00 0.00 31.31 27.72 2d9f n TRP 10 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2d9f s LEU 11 N 7.50 4.24 -0.65 -0.99 0.20 -0.71 -4.91 118.68 123.36 2d9f s LEU 11 Ca 0.40 0.41 -0.26 0.00 0.69 0.00 0.00 54.13 55.38 2d9f s LEU 11 Cb -0.15 -2.27 0.04 0.00 -0.43 0.00 0.00 46.19 43.39 2d9f s LEU 11 CO 0.80 0.14 1.13 -1.81 -0.29 0.00 0.00 176.35 176.32 2d9f s ASP 12 N 0.38 6.26 0.06 3.68 1.01 -1.26 -1.85 116.67 124.95 2d9f s ASP 12 Ca 0.13 -0.44 -0.20 0.00 0.71 0.00 0.00 52.55 52.76 2d9f s ASP 12 Cb -0.12 -2.50 -0.11 0.00 1.01 0.00 0.00 42.92 41.19 2d9f s ASP 12 CO 0.02 -1.56 1.46 0.40 0.21 0.00 0.00 175.17 175.69 2d9f h ILE 13 N 6.04 1.28 0.00 0.77 2.04 -1.88 -3.29 117.51 122.47 2d9f h ILE 13 Ca -0.27 -1.01 -0.30 0.00 1.00 0.00 0.00 64.86 64.28 2d9f h ILE 13 Cb 1.06 1.56 -0.05 0.00 -0.74 0.00 0.00 36.82 38.65 2d9f h ILE 13 CO 1.20 0.30 -1.85 0.18 0.00 0.00 0.00 178.15 177.99 2d9f n LEU 14 N -4.65 0.68 0.00 1.44 4.77 -1.26 -5.00 117.00 112.99 2d9f n LEU 14 Ca -0.05 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2d9f n LEU 14 Cb 0.27 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2d9f n LEU 14 CO 0.38 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 2d9f n GLY 15 N 1.59 2.06 0.06 -0.72 0.00 -1.24 -4.93 105.19 102.01 2d9f n GLY 15 Ca -0.20 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 2d9f n GLY 15 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2d9f h ASN 16 N 0.89 -0.04 0.00 1.61 -1.07 -1.92 -3.48 115.58 111.57 2d9f h ASN 16 Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 56.30 56.26 2d9f h ASN 16 Cb 0.00 0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.26 2d9f h ASN 16 CO 0.00 0.09 0.00 0.61 0.07 0.00 0.00 177.43 178.20 2d9f n GLY 17 N -0.80 1.38 0.00 9.14 0.00 -1.26 -5.04 105.19 108.61 2d9f n GLY 17 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2d9f n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d9f n LEU 18 N 0.00 0.00 -4.62 0.99 7.99 -1.26 -4.48 117.00 115.62 2d9f n LEU 18 Ca 0.00 0.95 -0.43 0.00 -0.01 0.00 0.00 56.01 56.52 2d9f n LEU 18 Cb 0.00 -0.45 -0.02 0.00 -0.11 0.00 0.00 43.42 42.84 2d9f n LEU 18 CO 0.00 -0.45 1.04 -0.22 -1.51 0.00 0.00 177.39 176.25 2d9f s LEU 19 N -3.70 3.78 0.41 2.23 2.96 -1.26 -3.81 118.68 119.30 2d9f s LEU 19 Ca 0.00 0.84 0.07 0.00 -0.22 0.00 0.00 54.13 54.82 2d9f s LEU 19 Cb 0.00 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.07 2d9f s LEU 19 CO 0.00 -1.10 0.01 -0.13 -1.32 0.00 0.00 176.35 173.81 2d9f s ARG 20 N 4.15 1.95 -0.01 1.98 0.52 -0.85 -2.94 118.95 123.75 2d9f s ARG 20 Ca 0.50 -2.10 -0.01 0.00 -0.52 0.00 0.00 55.73 53.59 2d9f s ARG 20 Cb -0.11 -1.60 0.00 0.00 0.52 0.00 0.00 34.95 33.76 2d9f s ARG 20 CO 0.24 -0.06 0.03 0.21 0.02 0.00 0.00 175.30 175.74 2d9f s LYS 21 N -3.72 0.09 -0.23 3.54 2.20 -0.77 -2.18 119.74 118.67 2d9f s LYS 21 Ca 0.35 -0.05 -0.04 0.00 -0.36 0.00 0.00 55.97 55.87 2d9f s LYS 21 Cb 0.10 0.04 0.08 0.00 -1.51 0.00 0.00 37.83 36.53 2d9f s LYS 21 CO 0.18 -0.01 0.09 0.21 -0.36 0.00 0.00 175.35 175.46 2d9f s LYS 22 N -0.21 0.27 -0.40 4.03 2.20 0.44 -1.73 119.74 124.33 2d9f s LYS 22 Ca -0.02 -0.39 -0.27 0.00 -0.36 0.00 0.00 55.97 54.92 2d9f s LYS 22 Cb -0.02 -1.67 -0.03 0.00 -1.51 0.00 0.00 37.83 34.60 2d9f s LYS 22 CO -0.00 -0.82 2.00 0.99 -0.36 0.00 0.00 175.35 177.17 2d9f s THR 23 N 2.03 3.28 0.01 3.43 2.01 -1.26 -0.30 115.64 124.83 2d9f s THR 23 Ca 0.05 0.24 -0.19 0.00 0.31 0.00 0.00 61.69 62.10 2d9f s THR 23 Cb -0.16 -3.48 -0.25 0.00 0.01 0.00 0.00 72.50 68.62 2d9f s THR 23 CO -0.20 -0.38 1.08 -0.07 -0.69 0.00 0.00 174.62 174.36 2d9f h LEU 24 N 15.66 0.59 -7.00 4.42 3.38 -0.42 -3.45 115.31 128.48 2d9f h LEU 24 Ca -0.31 -0.79 -0.31 0.00 0.09 0.00 0.00 57.88 56.56 2d9f h LEU 24 Cb 1.20 -0.18 -0.36 0.00 0.09 0.00 0.00 40.66 41.41 2d9f h LEU 24 CO 1.08 1.30 -0.63 -0.69 0.09 0.00 0.00 178.44 179.60 2d9f s VAL 25 N -3.11 -0.29 0.69 1.22 1.01 0.33 -4.97 120.40 115.27 2d9f s VAL 25 Ca -0.13 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 2d9f s VAL 25 Cb 0.04 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.91 2d9f s VAL 25 CO 0.84 -0.06 1.10 -2.16 0.00 0.00 0.00 175.10 174.82 2d9f s PRO 26 N 2.31 2.63 0.66 2.72 0.04 -1.26 0.70 135.00 142.80 2d9f s PRO 26 Ca 0.05 1.32 0.04 0.00 0.04 0.00 0.00 61.00 62.45 2d9f s PRO 26 Cb -0.14 -1.93 0.12 0.00 0.04 0.00 0.00 34.50 32.58 2d9f s PRO 26 CO -0.09 -1.37 0.91 0.20 0.04 0.00 0.00 177.00 176.69 2d9f s GLY 27 N -2.83 1.74 0.95 0.56 0.00 -1.26 -4.72 107.32 101.76 2d9f s GLY 27 Ca 0.65 -1.98 -0.12 0.00 0.00 0.00 0.00 44.72 43.27 2d9f s GLY 27 CO 0.46 -1.44 1.09 2.56 0.00 0.00 0.00 173.10 175.77 2d9f s PRO 28 N -4.94 0.86 0.50 2.90 0.04 -1.26 -4.94 135.00 128.16 2d9f s PRO 28 Ca 0.65 0.68 0.32 0.00 0.04 0.00 0.00 61.00 62.69 2d9f s PRO 28 Cb -0.05 -1.77 1.33 0.00 0.04 0.00 0.00 34.50 34.05 2d9f s PRO 28 CO 0.42 -2.48 1.94 -1.00 0.04 0.00 0.00 177.00 175.93 2d9f h PRO 29 N -1.72 0.00 0.10 0.56 0.13 -1.99 -3.00 132.00 126.08 2d9f h PRO 29 Ca -0.52 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.34 2d9f h PRO 29 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2d9f h PRO 29 CO 0.56 0.00 -1.29 0.78 -0.23 0.00 0.00 178.00 177.82 2d9f h GLY 30 N 2.01 0.24 -1.06 1.56 0.00 -1.99 -3.46 103.07 100.38 2d9f h GLY 30 Ca 0.00 -0.62 -0.42 0.00 0.00 0.00 0.00 47.33 46.29 2d9f h GLY 30 CO 0.00 0.54 -0.03 -1.35 0.00 0.00 0.00 176.54 175.70 2d9f s SER 31 N -7.00 0.38 0.06 0.19 1.04 -1.14 -5.06 113.70 102.18 2d9f s SER 31 Ca -0.04 1.34 -0.27 0.00 0.48 0.00 0.00 55.95 57.46 2d9f s SER 31 Cb 0.07 -2.06 0.09 0.00 0.10 0.00 0.00 66.02 64.22 2d9f s SER 31 CO 0.86 -4.54 0.96 -0.55 0.98 0.00 0.00 173.24 170.95 2d9f s SER 32 N -2.63 -0.25 0.29 7.02 0.15 -1.26 -4.89 113.70 112.13 2d9f s SER 32 Ca 0.69 -0.20 -0.29 0.00 0.70 0.00 0.00 55.95 56.84 2d9f s SER 32 Cb -0.23 0.41 -0.10 0.00 -1.71 0.00 0.00 66.02 64.39 2d9f s SER 32 CO 0.64 -0.72 1.37 -0.13 1.20 0.00 0.00 173.24 175.59 2d9f s ARG 33 N -3.13 4.31 0.01 5.44 1.81 -1.26 -2.18 118.95 123.94 2d9f s ARG 33 Ca 0.09 2.26 -0.00 0.00 -1.72 0.00 0.00 55.73 56.36 2d9f s ARG 33 Cb -0.01 -3.09 0.00 0.00 -0.45 0.00 0.00 34.95 31.41 2d9f s ARG 33 CO -0.03 -0.30 0.01 -0.35 -0.68 0.00 0.00 175.30 173.95 2d9f n PRO 34 N 1.48 -1.04 -4.33 3.54 -0.04 -1.26 -4.96 135.00 128.38 2d9f n PRO 34 Ca 0.03 -0.02 -0.28 0.00 -0.04 0.00 0.00 63.50 63.20 2d9f n PRO 34 Cb 0.41 -0.01 -0.11 0.00 -0.04 0.00 0.00 33.50 33.75 2d9f n PRO 34 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2d9f s VAL 35 N -1.02 2.85 -0.37 0.52 0.11 -1.26 -4.97 120.40 116.26 2d9f s VAL 35 Ca 0.01 -1.72 -0.25 0.00 -2.93 0.00 0.00 61.98 57.08 2d9f s VAL 35 Cb -0.00 -2.37 0.01 0.00 -1.53 0.00 0.00 36.38 32.49 2d9f s VAL 35 CO 0.00 -0.05 0.90 -0.75 -3.33 0.00 0.00 175.10 171.87 2d9f s LYS 36 N -2.59 3.80 0.00 1.54 2.20 -1.26 -3.70 119.74 119.73 2d9f s LYS 36 Ca 0.22 0.50 0.00 0.00 -0.36 0.00 0.00 55.97 56.32 2d9f s LYS 36 Cb -0.09 -3.81 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 2d9f s LYS 36 CO 0.12 -0.94 0.00 0.41 -0.36 0.00 0.00 175.35 174.58 2d9f n GLY 37 N 4.45 1.04 3.73 5.54 0.00 0.63 -4.83 105.19 115.75 2d9f n GLY 37 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 2d9f n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d9f s GLN 38 N 0.00 2.15 -0.46 1.61 -0.21 -1.24 -4.82 119.66 116.69 2d9f s GLN 38 Ca 0.00 -2.07 -0.27 0.00 0.02 0.00 0.00 55.36 53.05 2d9f s GLN 38 Cb 0.00 -1.80 0.03 0.00 1.00 0.00 0.00 33.01 32.24 2d9f s GLN 38 CO 0.00 -0.22 1.01 0.08 -2.12 0.00 0.00 175.29 174.04 2d9f s VAL 39 N -2.71 4.38 -0.18 1.09 1.01 0.21 -2.30 120.40 121.89 2d9f s VAL 39 Ca 0.30 0.94 -0.04 0.00 0.00 0.00 0.00 61.98 63.19 2d9f s VAL 39 Cb 0.04 -4.49 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 2d9f s VAL 39 CO 0.17 -0.89 -0.02 0.68 0.00 0.00 0.00 175.10 175.04 2d9f s VAL 40 N 4.00 3.83 -0.26 2.92 -7.23 -0.88 -1.21 120.40 121.58 2d9f s VAL 40 Ca 0.41 -0.36 -0.05 0.00 -1.81 0.00 0.00 61.98 60.17 2d9f s VAL 40 Cb -0.09 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.14 2d9f s VAL 40 CO 0.28 0.45 0.02 -0.89 -0.31 0.00 0.00 175.10 174.65 2d9f s THR 41 N 0.81 3.64 0.36 5.32 2.01 -0.80 -2.82 115.64 124.16 2d9f s THR 41 Ca -0.00 -0.63 0.05 0.00 0.31 0.00 0.00 61.69 61.42 2d9f s THR 41 Cb -0.14 -2.79 -0.02 0.00 0.01 0.00 0.00 72.50 69.56 2d9f s THR 41 CO 0.02 0.23 0.18 1.33 -0.69 0.00 0.00 174.62 175.69 2d9f n VAL 42 N 4.82 0.00 -3.99 3.82 0.24 -0.17 -2.52 118.33 120.53 2d9f n VAL 42 Ca -0.16 -2.24 -0.32 0.00 -2.04 0.00 0.00 64.34 59.57 2d9f n VAL 42 Cb 0.49 0.92 -0.14 0.00 -1.47 0.00 0.00 33.84 33.64 2d9f n VAL 42 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2d9f s HIS 43 N -3.09 3.65 -0.15 6.34 2.46 -1.05 -1.52 115.29 121.93 2d9f s HIS 43 Ca 0.26 -2.77 -0.06 0.00 0.47 0.00 0.00 55.06 52.95 2d9f s HIS 43 Cb 0.01 -2.78 -0.04 0.00 -0.13 0.00 0.00 32.58 29.64 2d9f s HIS 43 CO 0.18 -0.94 0.07 -1.17 -2.47 0.00 0.00 174.74 170.42 2d9f s LEU 44 N 0.98 3.94 -0.17 8.88 1.98 -1.09 -3.45 118.68 129.76 2d9f s LEU 44 Ca 0.07 0.20 -0.02 0.00 -2.89 0.00 0.00 54.13 51.49 2d9f s LEU 44 Cb -0.20 -1.97 0.05 0.00 0.66 0.00 0.00 46.19 44.73 2d9f s LEU 44 CO -0.07 0.27 0.00 -1.10 -1.89 0.00 0.00 176.35 173.57 2d9f s GLN 45 N -0.21 0.88 0.03 1.98 -0.21 -1.24 -1.82 119.66 119.08 2d9f s GLN 45 Ca 0.08 -0.37 -0.24 0.00 0.02 0.00 0.00 55.36 54.85 2d9f s GLN 45 Cb -0.12 -1.89 -0.05 0.00 1.00 0.00 0.00 33.01 31.95 2d9f s GLN 45 CO 0.01 -0.52 0.73 0.99 -2.12 0.00 0.00 175.29 174.38 2d9f s THR 46 N 1.80 4.77 -0.15 -0.19 2.01 -1.09 -3.44 115.64 119.35 2d9f s THR 46 Ca 0.00 1.55 -0.13 0.00 0.31 0.00 0.00 61.69 63.42 2d9f s THR 46 Cb -0.16 -4.08 0.04 0.00 0.01 0.00 0.00 72.50 68.32 2d9f s THR 46 CO -0.07 0.38 0.39 -0.94 -0.69 0.00 0.00 174.62 173.69 2d9f s SER 47 N -0.08 -0.42 0.54 3.53 1.04 -0.96 -1.39 113.70 115.95 2d9f s SER 47 Ca 0.37 0.80 -0.22 0.00 0.48 0.00 0.00 55.95 57.39 2d9f s SER 47 Cb -0.20 0.79 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 2d9f s SER 47 CO 0.22 -0.15 1.30 -0.76 0.98 0.00 0.00 173.24 174.83 2d9f s LEU 48 N 0.42 3.85 0.56 2.42 2.01 -0.95 -0.30 118.68 126.69 2d9f s LEU 48 Ca -0.02 2.62 0.39 0.00 0.01 0.00 0.00 54.13 57.13 2d9f s LEU 48 Cb -0.04 -4.32 1.53 0.00 0.01 0.00 0.00 46.19 43.38 2d9f s LEU 48 CO -0.02 -1.45 1.70 -0.08 1.01 0.00 0.00 176.35 177.52 2d9f h GLU 49 N 1.49 0.00 0.02 1.70 4.81 -1.93 0.34 114.58 121.01 2d9f h GLU 49 Ca -0.50 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.64 2d9f h GLU 49 Cb 1.29 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.68 2d9f h GLU 49 CO 0.57 0.00 -0.37 -2.95 -0.73 0.00 0.00 179.01 175.54 2d9f h ASN 50 N 0.00 0.28 0.00 1.04 7.08 -1.93 -3.48 115.58 118.57 2d9f h ASN 50 Ca 0.62 -0.83 0.00 0.00 -3.08 0.00 0.00 56.30 53.01 2d9f h ASN 50 Cb 2.63 -0.09 0.00 0.00 -2.08 0.00 0.00 38.32 38.78 2d9f h ASN 50 CO -0.01 1.08 0.00 0.61 -2.08 0.00 0.00 177.43 177.04 2d9f n GLY 51 N 1.23 0.06 3.24 9.14 0.00 0.12 -5.11 105.19 113.86 2d9f n GLY 51 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2d9f n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d9f s THR 52 N -0.06 4.88 -0.24 2.61 2.01 -1.24 -4.83 115.64 118.77 2d9f s THR 52 Ca 0.00 -2.73 -0.36 0.00 0.31 0.00 0.00 61.69 58.91 2d9f s THR 52 Cb 0.00 -4.06 -0.12 0.00 0.01 0.00 0.00 72.50 68.33 2d9f s THR 52 CO 0.00 -0.98 1.99 0.54 -0.69 0.00 0.00 174.62 175.48 2d9f n ARG 53 N 3.69 1.50 0.09 4.92 1.74 -1.26 -2.25 116.66 125.08 2d9f n ARG 53 Ca 0.12 0.50 -0.22 0.00 -0.77 0.00 0.00 57.85 57.48 2d9f n ARG 53 Cb 0.43 -2.48 -0.15 0.00 -1.02 0.00 0.00 32.46 29.24 2d9f n ARG 53 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2d9f h VAL 54 N 6.16 1.05 -3.52 1.55 2.07 -1.59 -3.48 116.25 118.49 2d9f h VAL 54 Ca -0.39 -2.62 -0.05 0.00 0.82 0.00 0.00 66.70 64.46 2d9f h VAL 54 Cb 1.30 2.82 -0.10 0.00 -1.52 0.00 0.00 31.29 33.78 2d9f h VAL 54 CO 0.98 0.84 -0.08 0.00 0.02 0.00 0.00 177.57 179.33 2d9f s GLN 55 N -2.59 1.39 -0.25 1.57 -2.07 -1.20 -4.93 119.66 111.58 2d9f s GLN 55 Ca -0.13 -1.05 -0.02 0.00 -1.82 0.00 0.00 55.36 52.34 2d9f s GLN 55 Cb 0.05 0.48 0.12 0.00 -1.09 0.00 0.00 33.01 32.58 2d9f s GLN 55 CO 0.87 -0.57 0.31 -2.00 -1.32 0.00 0.00 175.29 172.58 2d9f s GLU 56 N -3.94 0.30 -0.44 9.60 2.12 -1.26 -2.68 118.70 122.40 2d9f s GLU 56 Ca 0.15 0.19 -0.09 0.00 0.36 0.00 0.00 54.97 55.58 2d9f s GLU 56 Cb -0.00 -0.74 0.10 0.00 0.26 0.00 0.00 34.13 33.74 2d9f s GLU 56 CO 0.02 -0.80 0.30 -2.00 -0.54 0.00 0.00 175.26 172.23 2d9f s GLU 57 N 2.42 2.53 0.01 4.30 2.12 -0.76 -4.96 118.70 124.37 2d9f s GLU 57 Ca 0.10 -1.61 -0.23 0.00 0.36 0.00 0.00 54.97 53.59 2d9f s GLU 57 Cb -0.15 -3.84 -0.17 0.00 0.26 0.00 0.00 34.13 30.23 2d9f s GLU 57 CO -0.21 -1.06 1.30 -1.00 -0.54 0.00 0.00 175.26 173.75 2d9f h PRO 58 N 8.42 0.17 -2.74 4.30 0.13 -1.88 -2.88 132.00 137.52 2d9f h PRO 58 Ca -0.22 -0.09 -0.68 0.00 -0.87 0.00 0.00 66.00 64.14 2d9f h PRO 58 Cb 1.08 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.84 2d9f h PRO 58 CO 0.80 0.61 -0.10 -1.91 -0.23 0.00 0.00 178.00 177.17 2d9f n GLU 59 N -4.71 3.01 -2.95 0.86 2.13 -1.26 -4.33 120.64 113.39 2d9f n GLU 59 Ca -0.07 -4.58 -0.41 0.00 0.66 0.00 0.00 57.16 52.75 2d9f n GLU 59 Cb 0.30 -2.37 -0.05 0.00 0.27 0.00 0.00 31.44 29.60 2d9f n GLU 59 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2d9f s LEU 60 N -2.20 4.14 0.06 4.31 1.98 -0.57 -4.95 118.68 121.45 2d9f s LEU 60 Ca 0.33 1.05 0.08 0.00 -2.89 0.00 0.00 54.13 52.70 2d9f s LEU 60 Cb 0.05 -3.13 -0.03 0.00 0.66 0.00 0.00 46.19 43.74 2d9f s LEU 60 CO -0.02 -0.40 -0.21 0.54 -1.89 0.00 0.00 176.35 174.37 2d9f s VAL 61 N 2.28 1.68 0.14 1.68 0.11 -1.26 -1.00 120.40 124.04 2d9f s VAL 61 Ca 0.35 -1.28 -0.25 0.00 -2.93 0.00 0.00 61.98 57.87 2d9f s VAL 61 Cb -0.16 -1.48 0.07 0.00 -1.53 0.00 0.00 36.38 33.27 2d9f s VAL 61 CO 0.10 0.15 0.88 0.72 -3.33 0.00 0.00 175.10 173.62 2d9f s PHE 62 N -0.88 -0.22 -0.71 1.54 -0.12 -1.13 -5.01 117.98 111.45 2d9f s PHE 62 Ca 0.07 -0.07 -0.16 0.00 -0.05 0.00 0.00 56.93 56.73 2d9f s PHE 62 Cb -0.09 0.62 0.17 0.00 -0.63 0.00 0.00 43.02 43.09 2d9f s PHE 62 CO 0.02 -0.83 0.70 0.99 -0.05 0.00 0.00 175.22 176.05 2d9f s THR 63 N -3.38 5.32 0.16 -4.49 2.01 -1.26 -2.07 115.64 111.93 2d9f s THR 63 Ca 0.10 -1.91 -0.33 0.00 0.31 0.00 0.00 61.69 59.86 2d9f s THR 63 Cb -0.02 -4.45 -0.16 0.00 0.01 0.00 0.00 72.50 67.88 2d9f s THR 63 CO -0.01 -1.02 1.13 -0.11 -0.69 0.00 0.00 174.62 173.92 2d9f n LEU 64 N 4.86 1.29 0.00 4.42 7.94 -0.97 -2.06 117.00 132.48 2d9f n LEU 64 Ca 0.03 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 2d9f n LEU 64 Cb 0.44 -1.18 0.00 0.00 0.53 0.00 0.00 43.42 43.21 2d9f n LEU 64 CO 0.44 -1.42 0.00 0.61 -1.11 0.00 0.00 177.39 175.91 2d9f n GLY 65 N 1.99 0.87 0.00 -3.96 0.00 -1.26 0.23 105.19 103.06 2d9f n GLY 65 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2d9f n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2d9f n ASP 66 N 0.00 1.00 -3.75 1.61 8.00 -0.88 -4.92 116.55 117.61 2d9f n ASP 66 Ca 0.00 -1.47 -0.28 0.00 0.71 0.00 0.00 54.79 53.75 2d9f n ASP 66 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2d9f n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d9f n ASP 68 N -2.33 0.00 -4.01 0.00 8.00 -1.26 -4.79 116.55 112.16 2d9f n ASP 68 Ca 0.04 0.06 -0.24 0.00 0.71 0.00 0.00 54.79 55.37 2d9f n ASP 68 Cb 0.50 -0.31 -0.08 0.00 -0.02 0.00 0.00 41.12 41.21 2d9f n ASP 68 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2d9f s VAL 69 N -2.62 0.50 0.50 2.53 -7.23 -1.26 -5.00 120.40 107.81 2d9f s VAL 69 Ca 0.18 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.16 2d9f s VAL 69 Cb 0.13 -2.39 -0.13 0.00 0.56 0.00 0.00 36.38 34.55 2d9f s VAL 69 CO 0.31 0.00 0.22 -0.38 -0.31 0.00 0.00 175.10 174.93 2d9f n ILE 70 N -0.83 1.09 0.41 -0.62 2.08 -1.26 -4.64 119.36 115.59 2d9f n ILE 70 Ca -0.03 -0.50 0.13 0.00 0.56 0.00 0.00 62.75 62.91 2d9f n ILE 70 Cb 0.65 -0.31 0.50 0.00 -0.75 0.00 0.00 39.64 39.73 2d9f n ILE 70 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 2d9f h GLN 71 N 0.24 0.00 -0.01 0.38 4.20 -1.73 -1.28 115.11 116.92 2d9f h GLN 71 Ca -0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.29 2d9f h GLN 71 Cb 1.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.21 2d9f h GLN 71 CO 0.46 0.00 -0.55 0.00 -0.67 0.00 0.00 178.83 178.06 2d9f n ALA 72 N -1.84 3.72 -0.10 3.87 0.00 -1.25 -3.54 120.51 121.37 2d9f n ALA 72 Ca 0.03 -0.49 -0.19 0.00 0.00 0.00 0.00 53.44 52.78 2d9f n ALA 72 Cb 0.29 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.69 2d9f n ALA 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2d9f n LEU 73 N -0.95 1.94 0.24 0.00 7.94 -0.92 -4.07 117.00 121.17 2d9f n LEU 73 Ca 0.08 0.14 0.10 0.00 -1.11 0.00 0.00 56.01 55.22 2d9f n LEU 73 Cb 0.37 -0.62 0.57 0.00 0.53 0.00 0.00 43.42 44.26 2d9f n LEU 73 CO 0.33 0.55 0.87 -0.78 -1.11 0.00 0.00 177.39 177.25 2d9f h ASP 74 N -0.50 0.00 0.19 1.96 3.58 -1.45 0.11 116.42 120.31 2d9f h ASP 74 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 2d9f h ASP 74 Cb 1.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.57 2d9f h ASP 74 CO -0.24 0.20 -0.20 0.18 -2.88 0.00 0.00 179.24 176.30 2d9f n LEU 75 N -3.59 1.12 -0.06 2.28 4.32 -1.23 -4.04 117.00 115.80 2d9f n LEU 75 Ca -0.01 -0.31 -0.07 0.00 -0.02 0.00 0.00 56.01 55.60 2d9f n LEU 75 Cb 0.34 -0.10 -0.08 0.00 -1.62 0.00 0.00 43.42 41.97 2d9f n LEU 75 CO 0.32 0.20 -0.89 -1.54 -1.22 0.00 0.00 177.39 174.27 2d9f n SER 76 N -0.48 2.57 -0.11 -1.43 3.41 -0.73 -4.54 113.62 112.30 2d9f n SER 76 Ca 0.14 -0.03 -0.08 0.00 -0.26 0.00 0.00 58.87 58.63 2d9f n SER 76 Cb 0.35 0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.67 2d9f n SER 76 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2d9f h VAL 77 N 0.00 0.19 0.00 -3.33 2.07 -0.96 0.47 116.25 114.69 2d9f h VAL 77 Ca -0.30 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2d9f h VAL 77 Cb 1.59 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2d9f h VAL 77 CO -0.01 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.77 2d9f n PRO 78 N -5.42 0.49 -0.26 1.57 -0.04 -1.26 -1.96 135.00 128.12 2d9f n PRO 78 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 2d9f n PRO 78 Cb 0.34 -1.35 0.18 0.00 -0.04 0.00 0.00 33.50 32.63 2d9f n PRO 78 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2d9f n LEU 79 N -0.85 3.19 -3.80 1.53 4.77 0.16 -4.85 117.00 117.15 2d9f n LEU 79 Ca 0.08 -2.50 -0.13 0.00 -0.03 0.00 0.00 56.01 53.44 2d9f n LEU 79 Cb 0.04 -0.35 -0.13 0.00 -2.33 0.00 0.00 43.42 40.64 2d9f n LEU 79 CO 0.06 0.68 -0.21 0.00 -1.33 0.00 0.00 177.39 176.59 2d9f s MET 80 N -1.89 0.14 0.56 3.23 0.23 -0.83 -5.05 119.30 115.69 2d9f s MET 80 Ca 0.29 0.26 -0.18 0.00 -1.03 0.00 0.00 55.69 55.03 2d9f s MET 80 Cb 0.21 -0.01 -0.05 0.00 -1.53 0.00 0.00 34.83 33.45 2d9f s MET 80 CO 0.10 -0.07 1.07 -0.51 -2.03 0.00 0.00 175.02 173.59 2d9f s ASP 81 N 0.45 5.88 -0.10 -1.18 1.01 -1.26 -4.47 116.67 116.98 2d9f s ASP 81 Ca -0.03 1.93 -0.29 0.00 0.71 0.00 0.00 52.55 54.87 2d9f s ASP 81 Cb -0.04 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.27 2d9f s ASP 81 CO -0.02 -1.10 1.98 0.54 0.21 0.00 0.00 175.17 176.78 2d9f s VAL 82 N -2.18 3.16 0.00 -1.27 0.11 -0.93 -1.75 120.40 117.53 2d9f s VAL 82 Ca 0.67 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.89 2d9f s VAL 82 Cb -0.18 -3.15 0.00 0.00 -1.53 0.00 0.00 36.38 31.52 2d9f s VAL 82 CO 0.30 -0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 2d9f n GLY 83 N 4.98 1.06 3.31 6.54 0.00 0.18 -4.58 105.19 116.68 2d9f n GLY 83 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 2d9f n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2d9f s GLU 84 N -0.64 3.33 -0.35 1.61 2.12 -0.72 -4.12 118.70 119.94 2d9f s GLU 84 Ca 0.00 -0.67 -0.25 0.00 0.36 0.00 0.00 54.97 54.41 2d9f s GLU 84 Cb 0.00 -2.82 0.01 0.00 0.26 0.00 0.00 34.13 31.58 2d9f s GLU 84 CO 0.00 -0.05 0.88 0.99 -0.54 0.00 0.00 175.26 176.54 2d9f s THR 85 N 1.06 4.65 -0.02 -1.70 2.01 0.22 -3.67 115.64 118.19 2d9f s THR 85 Ca 0.00 1.18 0.05 0.00 0.31 0.00 0.00 61.69 63.23 2d9f s THR 85 Cb -0.15 -4.27 -0.01 0.00 0.01 0.00 0.00 72.50 68.08 2d9f s THR 85 CO -0.02 -0.44 -0.16 0.00 -0.69 0.00 0.00 174.62 173.31 2d9f s ALA 86 N 3.30 1.38 0.23 7.40 0.00 -0.13 0.38 121.76 134.31 2d9f s ALA 86 Ca 0.36 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.66 2d9f s ALA 86 Cb -0.13 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 2d9f s ALA 86 CO 0.17 0.33 0.36 1.41 0.00 0.00 0.00 175.76 178.02 2d9f s MET 87 N -0.34 3.44 -0.03 0.00 -2.45 0.59 -0.50 119.30 120.00 2d9f s MET 87 Ca 0.05 -0.71 -0.01 0.00 -1.25 0.00 0.00 55.69 53.77 2d9f s MET 87 Cb -0.07 -2.89 0.03 0.00 1.25 0.00 0.00 34.83 33.15 2d9f s MET 87 CO -0.00 0.43 0.07 0.14 1.05 0.00 0.00 175.02 176.71 2d9f s VAL 88 N -1.95 -0.04 -0.31 10.11 -7.23 0.84 -0.42 120.40 121.39 2d9f s VAL 88 Ca 0.34 0.16 0.01 0.00 -1.81 0.00 0.00 61.98 60.68 2d9f s VAL 88 Cb -0.09 -0.12 0.10 0.00 0.56 0.00 0.00 36.38 36.82 2d9f s VAL 88 CO 0.29 0.07 0.07 0.42 -0.31 0.00 0.00 175.10 175.64 2d9f s THR 89 N 0.88 1.29 0.17 5.32 -4.23 -0.93 -1.85 115.64 116.30 2d9f s THR 89 Ca -0.07 -1.62 0.09 0.00 -1.18 0.00 0.00 61.69 58.91 2d9f s THR 89 Cb -0.10 -1.93 -0.04 0.00 1.34 0.00 0.00 72.50 71.77 2d9f s THR 89 CO -0.03 -0.60 -0.18 0.00 -0.54 0.00 0.00 174.62 173.27 2d9f s ALA 90 N 1.41 2.07 0.62 3.99 0.00 -1.25 -2.00 121.76 126.60 2d9f s ALA 90 Ca 0.09 -1.52 -0.18 0.00 0.00 0.00 0.00 51.96 50.34 2d9f s ALA 90 Cb -0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2d9f s ALA 90 CO -0.19 0.24 1.25 0.34 0.00 0.00 0.00 175.76 177.41 2d9f s ASP 91 N -2.73 4.87 0.35 0.00 2.15 -1.26 -3.76 116.67 116.29 2d9f s ASP 91 Ca 0.17 2.52 0.17 0.00 0.43 0.00 0.00 52.55 55.84 2d9f s ASP 91 Cb -0.06 -2.61 1.21 0.00 -0.30 0.00 0.00 42.92 41.17 2d9f s ASP 91 CO 0.07 -1.82 1.52 -1.54 -0.17 0.00 0.00 175.17 173.23 2d9f n SER 92 N -1.76 0.27 -0.31 -0.34 3.41 -1.26 0.43 113.62 114.05 2d9f n SER 92 Ca 0.15 1.60 0.09 0.00 -0.26 0.00 0.00 58.87 60.45 2d9f n SER 92 Cb 0.49 -0.75 0.21 0.00 -0.26 0.00 0.00 64.21 63.89 2d9f n SER 92 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2d9f h LYS 93 N 0.00 0.04 0.00 4.33 2.10 -1.89 0.97 116.57 122.13 2d9f h LYS 93 Ca 0.78 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 59.38 2d9f h LYS 93 Cb 2.02 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 33.33 2d9f h LYS 93 CO -0.77 0.03 -0.50 1.88 -2.00 0.00 0.00 179.45 178.09 2d9f h TYR 94 N 0.04 0.00 0.00 0.07 0.05 -0.34 -3.29 116.97 113.50 2d9f h TYR 94 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.28 2d9f h TYR 94 Cb 0.93 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.67 2d9f h TYR 94 CO -0.52 0.23 0.00 0.00 -1.05 0.00 0.00 178.16 176.81 2d9f n TYR 96 N -1.82 0.00 0.00 0.00 4.02 0.20 -4.61 117.16 114.95 2d9f n TYR 96 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2d9f n TYR 96 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2d9f n TYR 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2d9f n GLY 97 N 2.61 3.60 0.00 2.72 0.00 0.10 -4.73 105.19 109.50 2d9f n GLY 97 Ca 0.00 -1.82 0.06 0.00 0.00 0.00 0.00 46.02 44.26 2d9f n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d9f n PRO 98 N -1.39 0.49 -0.05 1.61 -0.04 -1.26 -2.13 135.00 132.22 2d9f n PRO 98 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2d9f n PRO 98 Cb 0.00 -1.36 -0.15 0.00 -0.04 0.00 0.00 33.50 31.95 2d9f n PRO 98 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d9f n GLN 99 N -0.86 0.83 0.00 0.54 10.64 -1.26 -4.56 117.38 122.71 2d9f n GLN 99 Ca 0.08 -0.09 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 2d9f n GLN 99 Cb 0.04 -1.46 0.00 0.00 -0.86 0.00 0.00 30.24 27.96 2d9f n GLN 99 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2d9f n GLY 100 N 1.65 0.52 3.83 2.61 0.00 -0.91 -4.69 105.19 108.21 2d9f n GLY 100 Ca -0.17 -2.14 -0.28 0.00 0.00 0.00 0.00 46.02 43.43 2d9f n GLY 100 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d9f s SER 101 N 0.00 4.45 -0.00 1.61 0.15 -0.84 -4.72 113.70 114.35 2d9f s SER 101 Ca 0.00 -1.34 -0.00 0.00 0.70 0.00 0.00 55.95 55.31 2d9f s SER 101 Cb 0.00 0.30 -0.00 0.00 -1.71 0.00 0.00 66.02 64.61 2d9f s SER 101 CO 0.00 -0.94 -0.00 0.54 1.20 0.00 0.00 173.24 174.04 2d9f n ARG 102 N -1.53 0.01 -3.43 5.44 5.12 -1.26 -3.89 116.66 117.12 2d9f n ARG 102 Ca -0.07 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.70 2d9f n ARG 102 Cb 0.65 -0.34 -0.11 0.00 -1.16 0.00 0.00 32.46 31.51 2d9f n ARG 102 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2d9f s SER 103 N -4.39 1.19 0.53 0.55 0.15 -1.26 -1.85 113.70 108.62 2d9f s SER 103 Ca -0.00 -0.27 -0.20 0.00 0.70 0.00 0.00 55.95 56.18 2d9f s SER 103 Cb 0.00 0.59 -0.06 0.00 -1.71 0.00 0.00 66.02 64.84 2d9f s SER 103 CO 0.01 -0.34 1.13 -2.16 1.20 0.00 0.00 173.24 173.08 2d9f s PRO 104 N 2.39 3.40 0.33 5.44 0.04 -1.26 -5.15 135.00 140.19 2d9f s PRO 104 Ca 0.09 1.62 -0.14 0.00 0.04 0.00 0.00 61.00 62.62 2d9f s PRO 104 Cb -0.15 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.26 2d9f s PRO 104 CO -0.19 -0.82 0.73 -0.47 0.04 0.00 0.00 177.00 176.29 2d9f s TYR 105 N -1.75 3.39 -0.11 0.56 6.14 -0.77 -4.68 117.35 120.12 2d9f s TYR 105 Ca 0.72 1.16 -0.11 0.00 0.64 0.00 0.00 57.07 59.48 2d9f s TYR 105 Cb -0.24 -2.50 0.03 0.00 0.42 0.00 0.00 41.96 39.67 2d9f s TYR 105 CO 0.27 0.08 0.32 0.96 0.64 0.00 0.00 175.55 177.82 2d9f s ILE 106 N -2.03 0.00 0.46 3.14 -5.25 -1.25 -4.85 121.20 111.42 2d9f s ILE 106 Ca 0.53 -0.03 -0.23 0.00 -0.99 0.00 0.00 60.65 59.93 2d9f s ILE 106 Cb -0.10 -0.46 -0.07 0.00 2.95 0.00 0.00 42.46 44.77 2d9f s ILE 106 CO 0.20 -0.02 1.16 -2.16 -1.79 0.00 0.00 174.94 172.33 2d9f s PRO 107 N 0.07 3.76 0.71 0.37 0.04 -1.26 -1.99 135.00 136.71 2d9f s PRO 107 Ca -0.01 1.77 -0.13 0.00 0.04 0.00 0.00 61.00 62.68 2d9f s PRO 107 Cb -0.02 -2.41 0.03 0.00 0.04 0.00 0.00 34.50 32.13 2d9f s PRO 107 CO 0.01 -0.55 1.10 -1.25 0.04 0.00 0.00 177.00 176.35 2d9f s PRO 108 N -2.69 2.54 -0.82 0.56 0.04 -1.26 -3.20 135.00 130.16 2d9f s PRO 108 Ca 0.63 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2d9f s PRO 108 Cb -0.29 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2d9f s PRO 108 CO 0.35 -1.44 0.00 0.72 0.04 0.00 0.00 177.00 176.67 2d9f n HIS 109 N -2.94 -1.22 -3.66 0.56 8.25 -1.26 -4.88 115.22 110.06 2d9f n HIS 109 Ca 0.10 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.17 2d9f n HIS 109 Cb 0.52 -2.19 -0.09 0.00 1.12 0.00 0.00 29.99 29.35 2d9f n HIS 109 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2d9f s ALA 110 N -2.19 3.42 0.95 -1.41 0.00 -1.19 -4.79 121.76 116.54 2d9f s ALA 110 Ca 0.00 -2.82 -0.15 0.00 0.00 0.00 0.00 51.96 48.99 2d9f s ALA 110 Cb 0.00 -2.68 -0.05 0.00 0.00 0.00 0.00 23.12 20.38 2d9f s ALA 110 CO 0.00 -1.96 -0.14 0.00 0.00 0.00 0.00 175.76 173.66 2d9f n ALA 111 N 4.30 -3.85 -3.63 0.00 0.00 -1.26 -4.17 120.51 111.90 2d9f n ALA 111 Ca 0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 53.44 52.71 2d9f n ALA 111 Cb 0.40 -1.50 -0.12 0.00 0.00 0.00 0.00 19.45 18.23 2d9f n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2d9f s LEU 112 N 3.13 0.29 -0.30 0.00 1.43 -1.25 -3.84 118.68 118.14 2d9f s LEU 112 Ca 0.50 0.67 -0.26 0.00 -1.03 0.00 0.00 54.13 54.01 2d9f s LEU 112 Cb -0.21 1.01 0.01 0.00 0.03 0.00 0.00 46.19 47.02 2d9f s LEU 112 CO 0.74 -0.17 0.92 0.00 0.23 0.00 0.00 176.35 178.07 2d9f s LEU 114 N 3.23 2.27 -0.38 0.00 1.43 -0.77 -2.27 118.68 122.19 2d9f s LEU 114 Ca 0.38 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.86 2d9f s LEU 114 Cb -0.14 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.64 2d9f s LEU 114 CO 0.13 0.13 0.20 -0.70 0.23 0.00 0.00 176.35 176.34 2d9f s GLU 115 N 0.54 2.79 -0.01 1.70 2.12 -1.22 -0.11 118.70 124.51 2d9f s GLU 115 Ca -0.12 -1.11 -0.15 0.00 0.36 0.00 0.00 54.97 53.95 2d9f s GLU 115 Cb -0.17 -3.72 -0.06 0.00 0.26 0.00 0.00 34.13 30.45 2d9f s GLU 115 CO 0.04 -0.71 0.40 0.08 -0.54 0.00 0.00 175.26 174.53 2d9f s VAL 116 N 1.54 5.05 -0.23 3.70 1.01 0.34 -3.68 120.40 128.13 2d9f s VAL 116 Ca 0.02 0.83 -0.04 0.00 0.00 0.00 0.00 61.98 62.78 2d9f s VAL 116 Cb -0.19 -3.71 0.08 0.00 0.00 0.00 0.00 36.38 32.56 2d9f s VAL 116 CO 0.06 0.56 0.11 -0.89 0.00 0.00 0.00 175.10 174.95 2d9f s THR 117 N -0.96 -0.09 -0.37 3.92 2.01 -1.22 -0.95 115.64 117.97 2d9f s THR 117 Ca 0.23 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.49 2d9f s THR 117 Cb -0.16 -0.77 0.00 0.00 0.01 0.00 0.00 72.50 71.58 2d9f s THR 117 CO 0.13 -0.50 1.44 -0.22 -0.69 0.00 0.00 174.62 174.78 2d9f s LEU 118 N 2.13 3.64 -0.14 4.42 1.98 -1.24 -2.52 118.68 126.95 2d9f s LEU 118 Ca 0.06 0.98 -0.11 0.00 -2.89 0.00 0.00 54.13 52.17 2d9f s LEU 118 Cb -0.16 -3.54 -0.04 0.00 0.66 0.00 0.00 46.19 43.12 2d9f s LEU 118 CO -0.23 -1.39 -0.22 0.29 -1.89 0.00 0.00 176.35 172.91 2d9f n LYS 119 N 7.96 0.43 -3.77 1.98 4.76 -1.05 0.48 118.16 128.95 2d9f n LYS 119 Ca 0.17 0.39 -0.13 0.00 -2.87 0.00 0.00 58.31 55.87 2d9f n LYS 119 Cb 0.47 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 32.08 2d9f n LYS 119 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2d9f s THR 120 N -2.33 0.06 -0.14 -0.18 -4.23 -1.21 -4.40 115.64 103.21 2d9f s THR 120 Ca -0.18 -0.50 -0.02 0.00 -1.18 0.00 0.00 61.69 59.81 2d9f s THR 120 Cb 0.02 -0.60 0.04 0.00 1.34 0.00 0.00 72.50 73.31 2d9f s THR 120 CO 0.26 -0.27 0.01 0.00 -0.54 0.00 0.00 174.62 174.08 2d9f s ALA 121 N -1.34 0.93 0.37 3.99 0.00 -1.26 -1.91 121.76 122.55 2d9f s ALA 121 Ca -0.14 -0.48 0.07 0.00 0.00 0.00 0.00 51.96 51.41 2d9f s ALA 121 Cb -0.05 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 2d9f s ALA 121 CO 0.04 -0.83 0.24 0.14 0.00 0.00 0.00 175.76 175.35 2d9f s VAL 122 N 1.88 0.16 -0.10 0.00 -7.23 -0.35 -4.98 120.40 109.78 2d9f s VAL 122 Ca 0.02 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.24 2d9f s VAL 122 Cb -0.15 -2.42 -0.24 0.00 0.56 0.00 0.00 36.38 34.13 2d9f s VAL 122 CO -0.07 0.00 0.43 -0.67 -0.31 0.00 0.00 175.10 174.48 2d9f n ASP 123 N -1.59 1.32 -4.77 4.85 2.03 -1.26 0.64 116.55 117.75 2d9f n ASP 123 Ca 0.03 0.26 -0.37 0.00 0.52 0.00 0.00 54.79 55.22 2d9f n ASP 123 Cb 0.63 -0.26 -0.02 0.00 -0.72 0.00 0.00 41.12 40.74 2d9f n ASP 123 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2d9f s ARG 124 N -2.57 4.00 0.70 -0.67 0.52 -1.26 -4.45 118.95 115.22 2d9f s ARG 124 Ca -0.14 1.74 -0.14 0.00 -0.52 0.00 0.00 55.73 56.68 2d9f s ARG 124 Cb 0.07 -2.57 0.02 0.00 0.52 0.00 0.00 34.95 32.99 2d9f s ARG 124 CO 0.79 -0.34 1.10 -1.25 0.02 0.00 0.00 175.30 175.63 2d9f s PRO 125 N -2.45 2.62 -0.25 3.54 0.04 -1.26 -4.79 135.00 132.45 2d9f s PRO 125 Ca 0.59 1.32 -0.06 0.00 0.04 0.00 0.00 61.00 62.89 2d9f s PRO 125 Cb -0.28 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.20 2d9f s PRO 125 CO 0.35 -1.38 -0.28 -3.47 0.04 0.00 0.00 177.00 172.26 2d9f n ASP 126 N -2.77 1.96 -4.53 6.66 -0.08 -1.26 -4.86 116.55 111.67 2d9f n ASP 126 Ca 0.10 0.11 -0.42 0.00 -1.51 0.00 0.00 54.79 53.07 2d9f n ASP 126 Cb 0.52 -0.58 -0.04 0.00 2.34 0.00 0.00 41.12 43.36 2d9f n ASP 126 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2d9f s LEU 127 N -6.94 3.84 1.08 -2.67 2.96 -1.26 -5.02 118.68 110.67 2d9f s LEU 127 Ca -0.34 -0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 53.08 2d9f s LEU 127 Cb 0.11 -2.80 0.23 0.00 0.50 0.00 0.00 46.19 44.24 2d9f s LEU 127 CO 0.50 -1.42 1.06 -0.70 -1.32 0.00 0.00 176.35 174.47 2d9f s GLU 128 N 4.49 -0.23 -1.10 1.98 2.12 -1.26 -3.60 118.70 121.11 2d9f s GLU 128 Ca 0.33 0.74 -0.05 0.00 0.36 0.00 0.00 54.97 56.35 2d9f s GLU 128 Cb -0.11 -1.64 0.01 0.00 0.26 0.00 0.00 34.13 32.64 2d9f s GLU 128 CO 0.19 -3.23 0.09 0.00 -0.54 0.00 0.00 175.26 171.76 2d9f n MET 129 N -4.56 -0.86 -3.66 4.30 0.00 -1.26 -4.89 117.12 106.19 2d9f n MET 129 Ca 0.04 0.04 -0.14 0.00 0.00 0.00 0.00 57.70 57.64 2d9f n MET 129 Cb 0.55 -2.45 -0.08 0.00 0.00 0.00 0.00 33.22 31.24 2d9f n MET 129 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2d9f s SER 130 N -4.01 -0.53 0.00 3.17 0.01 -1.24 -5.17 113.70 105.93 2d9f s SER 130 Ca 0.06 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.19 2d9f s SER 130 Cb -0.04 0.87 0.00 0.00 0.21 0.00 0.00 66.02 67.07 2d9f s SER 130 CO 0.74 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.67 2d9f n GLY 131 N 2.15 2.35 3.77 3.44 0.00 -1.26 -4.98 105.19 110.65 2d9f n GLY 131 Ca -0.16 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 2d9f n GLY 131 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d9f s PRO 132 N -2.00 2.39 0.10 1.61 0.04 -1.26 -5.08 135.00 130.81 2d9f s PRO 132 Ca 0.00 1.23 -0.04 0.00 0.04 0.00 0.00 61.00 62.23 2d9f s PRO 132 Cb 0.00 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 2d9f s PRO 132 CO 0.00 -1.55 0.10 0.45 0.04 0.00 0.00 177.00 176.04 2d9f s SER 133 N -3.17 0.28 -0.17 6.66 0.15 -1.26 -5.14 113.70 111.05 2d9f s SER 133 Ca 0.63 -0.96 -0.23 0.00 0.70 0.00 0.00 55.95 56.09 2d9f s SER 133 Cb -0.18 0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 64.41 2d9f s SER 133 CO 0.52 -0.71 0.73 -0.55 1.20 0.00 0.00 173.24 174.42 2d9f s SER 134 N -2.95 6.83 0.00 5.45 0.15 -1.26 -5.37 113.70 116.56 2d9f s SER 134 Ca 0.13 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.80 2d9f s SER 134 Cb 0.06 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2d9f s SER 134 CO -0.05 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.68