#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 1.44 0.13 1.61 0.15 -1.26 -5.10 113.70 110.68 2d9f s SER 2 Ca 0.00 -0.23 -0.34 0.00 0.70 0.00 0.00 55.95 56.09 2d9f s SER 2 Cb 0.00 -0.29 -0.13 0.00 -1.71 0.00 0.00 66.02 63.88 2d9f s SER 2 CO 0.00 0.11 1.63 -0.24 1.20 0.00 0.00 173.24 175.94 2d9f n SER 3 N 3.05 3.18 -2.48 5.45 2.88 -1.26 -3.60 113.62 120.84 2d9f n SER 3 Ca -0.16 1.07 -0.04 0.00 -1.33 0.00 0.00 58.87 58.41 2d9f n SER 3 Cb 0.55 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 2d9f n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d9f n GLY 4 N 3.57 -1.07 0.37 0.46 0.00 -1.26 -4.88 105.19 102.39 2d9f n GLY 4 Ca 0.18 0.65 0.01 0.00 0.00 0.00 0.00 46.02 46.86 2d9f n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2d9f h SER 5 N 1.03 -1.25 -6.45 1.61 4.64 -2.01 -3.44 113.55 107.68 2d9f h SER 5 Ca 0.00 0.30 -0.50 0.00 -0.47 0.00 0.00 61.79 61.13 2d9f h SER 5 Cb 0.79 0.70 -0.08 0.00 -0.31 0.00 0.00 62.40 63.50 2d9f h SER 5 CO 0.16 -0.30 -0.81 -0.24 -0.87 0.00 0.00 176.83 174.77 2d9f n SER 6 N -5.53 -3.38 0.00 4.97 2.88 -1.26 -4.72 113.62 106.58 2d9f n SER 6 Ca 0.12 -0.89 0.00 0.00 -1.33 0.00 0.00 58.87 56.77 2d9f n SER 6 Cb 0.43 -3.44 0.00 0.00 -0.75 0.00 0.00 64.21 60.46 2d9f n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d9f n GLY 7 N -1.63 -1.19 0.18 0.46 0.00 -1.26 -5.04 105.19 96.71 2d9f n GLY 7 Ca -0.03 0.41 -0.04 0.00 0.00 0.00 0.00 46.02 46.36 2d9f n GLY 7 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2d9f h GLU 8 N 0.00 0.25 -0.72 1.61 4.81 -2.00 -3.25 114.58 115.28 2d9f h GLU 8 Ca 0.00 -0.15 0.16 0.00 -0.13 0.00 0.00 59.36 59.25 2d9f h GLU 8 Cb 0.00 0.01 -0.14 0.00 0.63 0.00 0.00 28.75 29.26 2d9f h GLU 8 CO 0.00 0.72 -0.10 -0.85 -0.73 0.00 0.00 179.01 178.04 2d9f n GLU 9 N -3.93 -0.06 -3.25 1.92 0.28 -1.26 -4.45 120.64 109.89 2d9f n GLU 9 Ca -0.02 1.10 -0.20 0.00 -0.16 0.00 0.00 57.16 57.89 2d9f n GLU 9 Cb 0.56 -1.69 0.00 0.00 1.43 0.00 0.00 31.44 31.75 2d9f n GLU 9 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 2d9f n TRP 10 N -5.10 -0.89 -4.73 -1.84 7.02 -1.23 -5.01 117.44 105.67 2d9f n TRP 10 Ca 0.14 -1.79 -0.33 0.00 -1.02 0.00 0.00 57.50 54.50 2d9f n TRP 10 Cb 0.43 -0.35 -0.13 0.00 -2.42 0.00 0.00 31.31 28.84 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 0.00 2.85 -0.62 -0.99 0.20 -0.80 -4.94 118.68 114.38 2d9f s LEU 11 Ca 0.25 -0.24 -0.19 0.00 0.69 0.00 0.00 54.13 54.64 2d9f s LEU 11 Cb -0.02 -1.63 0.10 0.00 -0.43 0.00 0.00 46.19 44.21 2d9f s LEU 11 CO 0.16 0.23 0.76 -1.81 -0.29 0.00 0.00 176.35 175.40 2d9f s ASP 12 N -0.02 6.21 0.22 3.68 1.11 -1.26 -1.90 116.67 124.71 2d9f s ASP 12 Ca -0.03 -1.41 -0.01 0.00 0.18 0.00 0.00 52.55 51.28 2d9f s ASP 12 Cb -0.14 -2.32 0.22 0.00 1.07 0.00 0.00 42.92 41.74 2d9f s ASP 12 CO 0.04 -1.16 1.59 0.40 1.18 0.00 0.00 175.17 177.22 2d9f h ILE 13 N 5.91 1.30 0.00 0.77 2.04 -1.89 -3.28 117.51 122.36 2d9f h ILE 13 Ca -0.27 -1.58 -0.27 0.00 1.00 0.00 0.00 64.86 63.74 2d9f h ILE 13 Cb 1.08 1.56 -0.05 0.00 -0.74 0.00 0.00 36.82 38.67 2d9f h ILE 13 CO 1.11 0.50 -2.20 0.18 0.00 0.00 0.00 178.15 177.74 2d9f n LEU 14 N -4.03 0.00 0.00 1.44 4.77 -1.26 -5.01 117.00 112.91 2d9f n LEU 14 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2d9f n LEU 14 Cb 0.52 0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 2d9f n LEU 14 CO 0.45 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 2d9f n GLY 15 N 1.75 2.66 0.09 -0.72 0.00 -1.24 -4.90 105.19 102.83 2d9f n GLY 15 Ca -0.25 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 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 0.55 0.18 0.00 1.61 7.08 -1.94 -3.46 115.58 119.61 2d9f h ASN 16 Ca 0.00 -0.06 0.00 0.00 -3.08 0.00 0.00 56.30 53.16 2d9f h ASN 16 Cb 0.00 -0.05 0.00 0.00 -2.08 0.00 0.00 38.32 36.19 2d9f h ASN 16 CO 0.00 0.19 0.00 0.61 -2.08 0.00 0.00 177.43 176.15 2d9f n GLY 17 N -0.97 1.25 0.16 9.14 0.00 -1.26 -5.03 105.19 108.47 2d9f n GLY 17 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 2d9f n GLY 17 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d9f h LEU 18 N 0.00 -0.33 -8.59 0.99 -0.00 -1.91 -3.40 115.31 102.07 2d9f h LEU 18 Ca 0.00 0.01 -0.59 0.00 -0.00 0.00 0.00 57.88 57.30 2d9f h LEU 18 Cb 0.00 0.08 -0.10 0.00 -0.00 0.00 0.00 40.66 40.64 2d9f h LEU 18 CO 0.00 -0.19 0.71 -0.22 -0.00 0.00 0.00 178.44 178.74 2d9f s LEU 19 N -6.09 3.87 0.38 1.67 2.96 -1.26 -3.75 118.68 116.45 2d9f s LEU 19 Ca -0.06 -0.02 0.08 0.00 -0.22 0.00 0.00 54.13 53.91 2d9f s LEU 19 Cb 0.01 -3.09 -0.06 0.00 0.50 0.00 0.00 46.19 43.55 2d9f s LEU 19 CO 0.17 -1.24 0.07 -0.13 -1.32 0.00 0.00 176.35 173.89 2d9f s ARG 20 N 4.19 2.10 0.01 1.98 0.52 -0.80 -2.82 118.95 124.13 2d9f s ARG 20 Ca 0.37 -1.85 0.00 0.00 -0.52 0.00 0.00 55.73 53.73 2d9f s ARG 20 Cb -0.10 -1.89 -0.01 0.00 0.52 0.00 0.00 34.95 33.48 2d9f s ARG 20 CO 0.24 0.02 -0.01 0.21 0.02 0.00 0.00 175.30 175.78 2d9f s LYS 21 N -3.77 0.11 -0.23 3.54 2.20 -0.80 -1.88 119.74 118.90 2d9f s LYS 21 Ca 0.37 -0.18 -0.04 0.00 -0.36 0.00 0.00 55.97 55.76 2d9f s LYS 21 Cb 0.03 0.01 0.08 0.00 -1.51 0.00 0.00 37.83 36.44 2d9f s LYS 21 CO 0.20 -0.01 0.10 0.21 -0.36 0.00 0.00 175.35 175.49 2d9f s LYS 22 N -0.42 0.22 -0.31 4.03 2.20 0.19 -1.91 119.74 123.74 2d9f s LYS 22 Ca -0.04 -0.37 -0.28 0.00 -0.36 0.00 0.00 55.97 54.92 2d9f s LYS 22 Cb -0.03 -1.59 -0.04 0.00 -1.51 0.00 0.00 37.83 34.66 2d9f s LYS 22 CO -0.00 -0.84 2.11 0.99 -0.36 0.00 0.00 175.35 177.26 2d9f s THR 23 N 2.06 3.16 0.00 3.43 2.01 -1.26 -0.51 115.64 124.53 2d9f s THR 23 Ca 0.05 0.15 -0.19 0.00 0.31 0.00 0.00 61.69 62.01 2d9f s THR 23 Cb -0.16 -3.24 -0.29 0.00 0.01 0.00 0.00 72.50 68.82 2d9f s THR 23 CO -0.22 -0.17 1.01 -0.07 -0.69 0.00 0.00 174.62 174.49 2d9f h LEU 24 N 15.47 0.64 -6.69 4.42 3.38 -0.75 -3.45 115.31 128.34 2d9f h LEU 24 Ca -0.36 -0.87 -0.28 0.00 0.09 0.00 0.00 57.88 56.47 2d9f h LEU 24 Cb 1.22 -0.20 -0.34 0.00 0.09 0.00 0.00 40.66 41.42 2d9f h LEU 24 CO 1.02 1.45 -0.59 -0.69 0.09 0.00 0.00 178.44 179.72 2d9f s VAL 25 N -2.79 -0.39 0.59 1.22 1.01 0.37 -4.98 120.40 115.42 2d9f s VAL 25 Ca -0.12 -0.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 2d9f s VAL 25 Cb 0.03 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 2d9f s VAL 25 CO 0.87 -0.20 1.12 -2.16 0.00 0.00 0.00 175.10 174.73 2d9f s PRO 26 N 2.38 3.12 0.71 2.72 0.04 -1.26 -0.09 135.00 142.62 2d9f s PRO 26 Ca 0.08 1.52 -0.00 0.00 0.04 0.00 0.00 61.00 62.64 2d9f s PRO 26 Cb -0.16 -1.98 0.12 0.00 0.04 0.00 0.00 34.50 32.52 2d9f s PRO 26 CO -0.14 -1.01 0.98 0.20 0.04 0.00 0.00 177.00 177.06 2d9f s GLY 27 N -2.12 1.76 0.93 0.56 0.00 -1.26 -4.80 107.32 102.40 2d9f s GLY 27 Ca 0.70 -1.75 -0.12 0.00 0.00 0.00 0.00 44.72 43.55 2d9f s GLY 27 CO 0.33 -1.20 1.09 2.56 0.00 0.00 0.00 173.10 175.89 2d9f s PRO 28 N -5.10 0.95 0.00 2.90 0.04 -1.26 -4.92 135.00 127.61 2d9f s PRO 28 Ca 0.66 0.71 0.15 0.00 0.04 0.00 0.00 61.00 62.55 2d9f s PRO 28 Cb -0.05 -1.78 0.71 0.00 0.04 0.00 0.00 34.50 33.42 2d9f s PRO 28 CO 0.44 -2.42 1.42 -0.35 0.04 0.00 0.00 177.00 176.12 2d9f n PRO 29 N -3.99 0.16 0.04 0.56 -0.04 -1.26 -2.80 135.00 127.67 2d9f n PRO 29 Ca 0.06 0.17 -0.19 0.00 -0.04 0.00 0.00 63.50 63.51 2d9f n PRO 29 Cb 0.56 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 2d9f n PRO 29 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2d9f h GLY 30 N 2.44 0.31 -1.29 0.55 0.00 -1.98 -3.47 103.07 99.62 2d9f h GLY 30 Ca 0.00 -0.80 -0.44 0.00 0.00 0.00 0.00 47.33 46.09 2d9f h GLY 30 CO 0.00 0.70 -0.54 -1.14 0.00 0.00 0.00 176.54 175.56 2d9f n SER 31 N -3.46 -2.12 -3.64 0.19 3.41 -1.12 -5.05 113.62 101.82 2d9f n SER 31 Ca -0.23 -0.17 -0.07 0.00 -0.26 0.00 0.00 58.87 58.14 2d9f n SER 31 Cb 1.06 -1.10 -0.07 0.00 -0.26 0.00 0.00 64.21 63.83 2d9f n SER 31 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2d9f s SER 32 N -2.12 -0.59 0.14 4.04 1.04 -1.26 -4.91 113.70 110.04 2d9f s SER 32 Ca 0.63 1.02 -0.30 0.00 0.48 0.00 0.00 55.95 57.78 2d9f s SER 32 Cb -0.19 1.14 -0.17 0.00 0.10 0.00 0.00 66.02 66.90 2d9f s SER 32 CO 0.66 -0.17 0.64 0.54 0.98 0.00 0.00 173.24 175.89 2d9f n ARG 33 N 3.13 0.00 0.00 4.02 5.12 -1.26 -4.02 116.66 123.66 2d9f n ARG 33 Ca -0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 2d9f n ARG 33 Cb 0.57 -1.10 0.00 0.00 -1.16 0.00 0.00 32.46 30.77 2d9f n ARG 33 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2d9f n PRO 34 N 1.10 -0.68 -4.39 5.56 -0.04 -1.26 -4.95 135.00 130.33 2d9f n PRO 34 Ca 0.18 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.36 2d9f n PRO 34 Cb 0.20 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.53 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 -0.83 2.25 -0.13 0.52 0.11 -1.26 -5.02 120.40 116.04 2d9f s VAL 35 Ca 0.00 -1.80 -0.28 0.00 -2.93 0.00 0.00 61.98 56.97 2d9f s VAL 35 Cb 0.00 -2.01 -0.01 0.00 -1.53 0.00 0.00 36.38 32.83 2d9f s VAL 35 CO 0.00 0.04 0.94 -0.75 -3.33 0.00 0.00 175.10 172.00 2d9f s LYS 36 N -2.17 4.37 0.00 1.54 2.20 -1.26 -3.63 119.74 120.80 2d9f s LYS 36 Ca 0.15 1.25 0.00 0.00 -0.36 0.00 0.00 55.97 57.01 2d9f s LYS 36 Cb -0.10 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.67 2d9f s LYS 36 CO 0.07 -0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.15 2d9f n GLY 37 N 3.22 0.97 3.88 5.54 0.00 0.38 -4.92 105.19 114.25 2d9f n GLY 37 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.28 2.35 -0.63 1.61 -0.21 -1.24 -4.83 119.66 116.43 2d9f s GLN 38 Ca 0.00 -1.81 -0.23 0.00 0.02 0.00 0.00 55.36 53.34 2d9f s GLN 38 Cb 0.00 -2.20 0.06 0.00 1.00 0.00 0.00 33.01 31.86 2d9f s GLN 38 CO 0.00 -0.41 0.98 0.08 -2.12 0.00 0.00 175.29 173.82 2d9f s VAL 39 N -2.64 4.30 -0.23 1.09 1.01 0.36 -2.80 120.40 121.50 2d9f s VAL 39 Ca 0.41 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.19 2d9f s VAL 39 Cb -0.02 -4.65 -0.05 0.00 0.00 0.00 0.00 36.38 31.66 2d9f s VAL 39 CO 0.24 -1.37 0.15 0.68 0.00 0.00 0.00 175.10 174.80 2d9f s VAL 40 N 4.14 5.32 -0.24 2.92 -7.23 -0.90 -1.71 120.40 122.71 2d9f s VAL 40 Ca 0.26 0.16 -0.02 0.00 -1.81 0.00 0.00 61.98 60.57 2d9f s VAL 40 Cb -0.15 -3.47 0.01 0.00 0.56 0.00 0.00 36.38 33.34 2d9f s VAL 40 CO 0.13 0.37 -0.06 -0.89 -0.31 0.00 0.00 175.10 174.34 2d9f s THR 41 N 0.92 3.03 0.26 5.32 2.01 -1.13 -2.52 115.64 123.54 2d9f s THR 41 Ca 0.07 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.24 2d9f s THR 41 Cb -0.13 -2.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 2d9f s THR 41 CO 0.03 0.28 0.10 0.68 -0.69 0.00 0.00 174.62 175.02 2d9f s VAL 42 N 1.38 0.56 -0.24 3.82 -7.23 -0.23 -2.55 120.40 115.91 2d9f s VAL 42 Ca 0.02 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.14 2d9f s VAL 42 Cb -0.16 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.13 2d9f s VAL 42 CO -0.04 0.00 0.00 -2.28 -0.31 0.00 0.00 175.10 172.47 2d9f s HIS 43 N -3.75 3.02 0.16 2.82 2.46 -1.03 -1.40 115.29 117.58 2d9f s HIS 43 Ca 0.38 -0.85 0.06 0.00 0.47 0.00 0.00 55.06 55.12 2d9f s HIS 43 Cb 0.08 -2.16 -0.04 0.00 -0.13 0.00 0.00 32.58 30.33 2d9f s HIS 43 CO 0.14 -0.51 -0.12 -0.48 -2.47 0.00 0.00 174.74 171.29 2d9f s LEU 44 N 1.51 2.52 -0.19 8.88 -0.00 -1.19 -2.80 118.68 127.41 2d9f s LEU 44 Ca 0.05 -0.98 -0.05 0.00 -0.00 0.00 0.00 54.13 53.15 2d9f s LEU 44 Cb -0.15 -0.47 0.09 0.00 -0.00 0.00 0.00 46.19 45.66 2d9f s LEU 44 CO -0.01 -0.25 0.32 -1.10 -0.00 0.00 0.00 176.35 175.30 2d9f s GLN 45 N -3.55 0.24 -0.14 1.48 -0.21 -1.26 -3.44 119.66 112.79 2d9f s GLN 45 Ca 0.17 0.65 -0.25 0.00 0.02 0.00 0.00 55.36 55.96 2d9f s GLN 45 Cb 0.00 -0.29 -0.02 0.00 1.00 0.00 0.00 33.01 33.70 2d9f s GLN 45 CO 0.03 -0.44 0.80 0.99 -2.12 0.00 0.00 175.29 174.55 2d9f s THR 46 N 2.47 4.93 -0.06 -0.19 2.01 -0.37 -4.15 115.64 120.28 2d9f s THR 46 Ca 0.05 1.59 -0.06 0.00 0.31 0.00 0.00 61.69 63.57 2d9f s THR 46 Cb -0.14 -4.12 0.02 0.00 0.01 0.00 0.00 72.50 68.27 2d9f s THR 46 CO -0.12 0.09 0.18 -0.44 -0.69 0.00 0.00 174.62 173.64 2d9f s SER 47 N 1.07 -0.16 0.61 3.53 0.01 -1.17 -0.03 113.70 117.56 2d9f s SER 47 Ca 0.38 0.30 -0.19 0.00 1.31 0.00 0.00 55.95 57.76 2d9f s SER 47 Cb -0.17 0.35 -0.03 0.00 0.21 0.00 0.00 66.02 66.38 2d9f s SER 47 CO 0.15 -0.10 1.26 -0.76 0.41 0.00 0.00 173.24 174.20 2d9f s LEU 48 N -0.06 3.64 0.35 2.44 2.01 -0.15 -1.58 118.68 125.33 2d9f s LEU 48 Ca -0.02 2.52 0.17 0.00 0.01 0.00 0.00 54.13 56.82 2d9f s LEU 48 Cb -0.02 -4.59 0.93 0.00 0.01 0.00 0.00 46.19 42.52 2d9f s LEU 48 CO 0.00 -1.78 1.46 -0.08 1.01 0.00 0.00 176.35 176.96 2d9f h GLU 49 N 0.77 0.00 0.03 1.70 4.81 -1.91 -0.88 114.58 119.09 2d9f h GLU 49 Ca -0.51 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.52 2d9f h GLU 49 Cb 1.32 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 2d9f h GLU 49 CO 0.54 0.00 -1.08 -2.95 -0.73 0.00 0.00 179.01 174.79 2d9f h ASN 50 N 0.00 0.09 0.00 1.04 7.08 -1.91 -3.49 115.58 118.39 2d9f h ASN 50 Ca 0.00 -0.69 0.00 0.00 -3.08 0.00 0.00 56.30 52.53 2d9f h ASN 50 Cb 0.43 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.64 2d9f h ASN 50 CO 0.00 1.44 0.00 0.61 -2.08 0.00 0.00 177.43 177.40 2d9f n GLY 51 N 1.55 0.00 3.12 9.14 0.00 -0.34 -5.14 105.19 113.53 2d9f n GLY 51 Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 2.68 0.04 2.61 2.01 -1.25 -4.89 115.64 116.84 2d9f s THR 52 Ca 0.00 -1.63 -0.30 0.00 0.31 0.00 0.00 61.69 60.07 2d9f s THR 52 Cb 0.00 -2.62 -0.08 0.00 0.01 0.00 0.00 72.50 69.80 2d9f s THR 52 CO 0.00 -0.19 1.79 -0.13 -0.69 0.00 0.00 174.62 175.40 2d9f s ARG 53 N 1.16 4.16 -0.24 4.92 0.52 -1.26 -0.97 118.95 127.24 2d9f s ARG 53 Ca -0.03 2.44 -0.16 0.00 -0.52 0.00 0.00 55.73 57.46 2d9f s ARG 53 Cb -0.20 -3.89 -0.11 0.00 0.52 0.00 0.00 34.95 31.27 2d9f s ARG 53 CO -0.03 -0.86 -0.26 0.28 0.02 0.00 0.00 175.30 174.45 2d9f n VAL 54 N 5.21 1.52 -4.34 3.52 0.31 0.96 -4.96 118.33 120.54 2d9f n VAL 54 Ca 0.18 -0.18 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 2d9f n VAL 54 Cb 0.41 -2.04 -0.17 0.00 -0.91 0.00 0.00 33.84 31.13 2d9f n VAL 54 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2d9f s GLN 55 N -2.56 1.67 -0.35 5.55 0.74 -1.09 -4.88 119.66 118.74 2d9f s GLN 55 Ca -0.34 -0.37 0.01 0.00 0.05 0.00 0.00 55.36 54.71 2d9f s GLN 55 Cb 0.10 -1.49 0.09 0.00 1.10 0.00 0.00 33.01 32.82 2d9f s GLN 55 CO 0.48 -0.08 0.09 -2.00 -0.55 0.00 0.00 175.29 173.22 2d9f s GLU 56 N 1.03 1.83 -0.30 1.67 2.12 -1.26 -1.23 118.70 122.56 2d9f s GLU 56 Ca -0.08 -1.75 0.01 0.00 0.36 0.00 0.00 54.97 53.52 2d9f s GLU 56 Cb -0.15 -3.32 0.09 0.00 0.26 0.00 0.00 34.13 31.02 2d9f s GLU 56 CO -0.01 -0.92 0.04 -2.00 -0.54 0.00 0.00 175.26 171.83 2d9f s GLU 57 N 1.04 1.18 0.21 4.30 2.12 -1.22 -4.99 118.70 121.34 2d9f s GLU 57 Ca 0.07 -1.30 -0.02 0.00 0.36 0.00 0.00 54.97 54.08 2d9f s GLU 57 Cb -0.21 -2.53 0.19 0.00 0.26 0.00 0.00 34.13 31.84 2d9f s GLU 57 CO -0.06 -0.87 1.57 -1.00 -0.54 0.00 0.00 175.26 174.37 2d9f h PRO 58 N 7.90 0.57 -3.30 4.30 0.13 -1.91 -3.15 132.00 136.55 2d9f h PRO 58 Ca -0.12 -0.30 -0.64 0.00 -0.87 0.00 0.00 66.00 64.07 2d9f h PRO 58 Cb 1.03 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.77 2d9f h PRO 58 CO 0.47 0.89 -0.56 -2.00 -0.23 0.00 0.00 178.00 176.58 2d9f s GLU 59 N -4.21 2.26 -0.29 0.86 2.56 -1.26 -4.24 118.70 114.39 2d9f s GLU 59 Ca -0.08 -2.88 -0.13 0.00 0.00 0.00 0.00 54.97 51.88 2d9f s GLU 59 Cb 0.12 -3.43 -0.04 0.00 2.00 0.00 0.00 34.13 32.79 2d9f s GLU 59 CO 0.83 -1.18 0.29 -1.17 -0.56 0.00 0.00 175.26 173.47 2d9f s LEU 60 N -0.70 4.14 -0.01 2.70 1.98 -0.49 -4.97 118.68 121.32 2d9f s LEU 60 Ca 0.20 0.03 0.08 0.00 -2.89 0.00 0.00 54.13 51.54 2d9f s LEU 60 Cb -0.18 -2.28 -0.02 0.00 0.66 0.00 0.00 46.19 44.38 2d9f s LEU 60 CO -0.06 -0.17 -0.24 0.54 -1.89 0.00 0.00 176.35 174.53 2d9f s VAL 61 N 1.92 1.91 0.33 1.68 0.11 -1.26 -1.07 120.40 124.03 2d9f s VAL 61 Ca 0.11 -1.06 -0.16 0.00 -2.93 0.00 0.00 61.98 57.94 2d9f s VAL 61 Cb -0.16 -1.59 0.03 0.00 -1.53 0.00 0.00 36.38 33.13 2d9f s VAL 61 CO 0.11 0.51 0.71 0.72 -3.33 0.00 0.00 175.10 173.82 2d9f s PHE 62 N -0.59 0.14 -0.53 1.54 -0.12 -1.05 -5.01 117.98 112.35 2d9f s PHE 62 Ca 0.09 -0.67 -0.11 0.00 -0.05 0.00 0.00 56.93 56.19 2d9f s PHE 62 Cb -0.09 0.64 0.13 0.00 -0.63 0.00 0.00 43.02 43.08 2d9f s PHE 62 CO -0.01 -1.37 0.44 0.99 -0.05 0.00 0.00 175.22 175.22 2d9f s THR 63 N -3.06 4.59 0.00 -4.49 2.01 -1.26 -2.12 115.64 111.31 2d9f s THR 63 Ca 0.16 -1.85 -0.38 0.00 0.31 0.00 0.00 61.69 59.93 2d9f s THR 63 Cb -0.04 -3.98 -0.17 0.00 0.01 0.00 0.00 72.50 68.32 2d9f s THR 63 CO 0.11 -0.83 1.40 -0.11 -0.69 0.00 0.00 174.62 174.49 2d9f n LEU 64 N 4.82 1.65 0.00 4.42 7.94 -1.12 -1.92 117.00 132.79 2d9f n LEU 64 Ca -0.06 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.95 2d9f n LEU 64 Cb 0.41 -1.16 0.00 0.00 0.53 0.00 0.00 43.42 43.20 2d9f n LEU 64 CO 0.44 -0.99 0.00 0.61 -1.11 0.00 0.00 177.39 176.34 2d9f n GLY 65 N 2.78 2.60 0.08 -3.96 0.00 -1.26 0.14 105.19 105.57 2d9f n GLY 65 Ca 0.20 -0.86 0.13 0.00 0.00 0.00 0.00 46.02 45.49 2d9f n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2d9f n ASP 66 N 0.15 0.52 -3.81 1.61 2.03 -0.81 -4.94 116.55 111.31 2d9f n ASP 66 Ca 0.00 -0.35 -0.28 0.00 0.52 0.00 0.00 54.79 54.68 2d9f n ASP 66 Cb 0.00 0.02 0.04 0.00 -0.72 0.00 0.00 41.12 40.47 2d9f n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2d9f n ASP 68 N -2.90 0.23 -3.57 0.00 2.03 -1.26 -4.71 116.55 106.37 2d9f n ASP 68 Ca 0.02 0.58 -0.17 0.00 0.52 0.00 0.00 54.79 55.74 2d9f n ASP 68 Cb 0.54 -0.62 -0.02 0.00 -0.72 0.00 0.00 41.12 40.30 2d9f n ASP 68 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2d9f n VAL 69 N -1.78 0.00 -1.55 5.18 0.24 -1.26 -5.05 118.33 114.11 2d9f n VAL 69 Ca 0.01 -1.32 -0.38 0.00 -2.04 0.00 0.00 64.34 60.61 2d9f n VAL 69 Cb 0.10 0.05 0.04 0.00 -1.47 0.00 0.00 33.84 32.56 2d9f n VAL 69 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2d9f n ILE 70 N -0.95 3.03 0.53 1.34 2.08 -1.26 -4.74 119.36 119.39 2d9f n ILE 70 Ca -0.07 -0.50 0.10 0.00 0.56 0.00 0.00 62.75 62.84 2d9f n ILE 70 Cb 0.36 -0.94 0.42 0.00 -0.75 0.00 0.00 39.64 38.73 2d9f n ILE 70 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2d9f n GLN 71 N -0.55 0.10 0.03 0.38 6.02 -1.02 -1.45 117.38 120.89 2d9f n GLN 71 Ca 0.13 0.28 0.11 0.00 -0.01 0.00 0.00 57.00 57.51 2d9f n GLN 71 Cb 0.47 -1.66 0.01 0.00 1.02 0.00 0.00 30.24 30.08 2d9f n GLN 71 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2d9f n ALA 72 N -1.63 3.38 -0.13 -1.58 0.00 -1.25 -3.36 120.51 115.94 2d9f n ALA 72 Ca 0.04 -0.41 -0.21 0.00 0.00 0.00 0.00 53.44 52.86 2d9f n ALA 72 Cb 0.24 -0.97 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.98 2.69 0.16 0.00 7.94 -0.94 -4.01 117.00 120.86 2d9f n LEU 73 Ca 0.02 -0.01 0.02 0.00 -1.11 0.00 0.00 56.01 54.93 2d9f n LEU 73 Cb 0.44 -0.86 0.27 0.00 0.53 0.00 0.00 43.42 43.79 2d9f n LEU 73 CO 0.40 0.83 0.60 -0.78 -1.11 0.00 0.00 177.39 177.33 2d9f h ASP 74 N -0.27 0.00 0.29 1.96 3.58 -1.45 0.30 116.42 120.84 2d9f h ASP 74 Ca -0.60 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.85 2d9f h ASP 74 Cb 1.80 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.85 2d9f h ASP 74 CO -0.18 0.49 -0.07 0.18 -2.88 0.00 0.00 179.24 176.78 2d9f n LEU 75 N -3.78 0.45 -0.01 2.28 4.32 -1.21 -3.72 117.00 115.32 2d9f n LEU 75 Ca -0.01 -0.01 -0.01 0.00 -0.02 0.00 0.00 56.01 55.96 2d9f n LEU 75 Cb 0.54 -0.15 -0.03 0.00 -1.62 0.00 0.00 43.42 42.16 2d9f n LEU 75 CO 0.40 0.08 -0.59 -1.54 -1.22 0.00 0.00 177.39 174.52 2d9f n SER 76 N -0.89 4.20 -0.02 -1.43 3.41 -0.96 -4.65 113.62 113.27 2d9f n SER 76 Ca 0.16 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.66 2d9f n SER 76 Cb 0.26 0.75 -0.05 0.00 -0.26 0.00 0.00 64.21 64.91 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 0.20 0.00 -3.33 2.07 -0.49 0.22 116.25 114.92 2d9f h VAL 77 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2d9f h VAL 77 Cb 0.90 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2d9f h VAL 77 CO 0.00 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.78 2d9f n PRO 78 N -5.42 0.49 -0.21 1.57 -0.04 -1.26 -1.91 135.00 128.22 2d9f n PRO 78 Ca -0.03 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.50 2d9f n PRO 78 Cb 0.35 -1.36 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 -0.86 3.10 -3.99 1.53 4.77 0.76 -4.87 117.00 117.44 2d9f n LEU 79 Ca 0.08 -1.94 -0.15 0.00 -0.03 0.00 0.00 56.01 53.97 2d9f n LEU 79 Cb 0.04 -0.27 -0.14 0.00 -2.33 0.00 0.00 43.42 40.72 2d9f n LEU 79 CO 0.06 0.77 -0.40 0.00 -1.33 0.00 0.00 177.39 176.48 2d9f s MET 80 N -1.01 0.46 0.52 3.23 0.23 -0.80 -5.07 119.30 116.86 2d9f s MET 80 Ca 0.28 -0.33 -0.16 0.00 -1.03 0.00 0.00 55.69 54.46 2d9f s MET 80 Cb 0.15 -0.40 -0.07 0.00 -1.53 0.00 0.00 34.83 32.97 2d9f s MET 80 CO 0.20 0.10 0.97 -0.51 -2.03 0.00 0.00 175.02 173.75 2d9f s ASP 81 N -0.47 6.58 -0.07 -1.18 1.01 -1.26 -4.44 116.67 116.85 2d9f s ASP 81 Ca -0.01 1.53 -0.29 0.00 0.71 0.00 0.00 52.55 54.49 2d9f s ASP 81 Cb -0.04 -2.49 -0.06 0.00 1.01 0.00 0.00 42.92 41.33 2d9f s ASP 81 CO -0.00 -0.60 1.90 0.54 0.21 0.00 0.00 175.17 177.22 2d9f s VAL 82 N -2.65 3.24 0.00 -1.27 0.11 -1.26 -1.91 120.40 116.66 2d9f s VAL 82 Ca 0.58 0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.91 2d9f s VAL 82 Cb -0.10 -3.21 0.00 0.00 -1.53 0.00 0.00 36.38 31.54 2d9f s VAL 82 CO 0.33 -0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.65 2d9f n GLY 83 N 4.71 1.10 3.23 6.54 0.00 -0.22 -4.63 105.19 115.92 2d9f n GLY 83 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.76 3.17 -0.33 1.61 2.12 -0.80 -4.09 118.70 119.62 2d9f s GLU 84 Ca 0.00 -0.76 -0.22 0.00 0.36 0.00 0.00 54.97 54.35 2d9f s GLU 84 Cb 0.00 -2.66 0.00 0.00 0.26 0.00 0.00 34.13 31.73 2d9f s GLU 84 CO 0.00 -0.07 0.74 0.99 -0.54 0.00 0.00 175.26 176.38 2d9f s THR 85 N 1.03 4.82 0.03 -1.70 2.01 0.87 -3.55 115.64 119.14 2d9f s THR 85 Ca -0.01 0.96 0.06 0.00 0.31 0.00 0.00 61.69 63.01 2d9f s THR 85 Cb -0.15 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 2d9f s THR 85 CO -0.04 -0.29 -0.17 0.00 -0.69 0.00 0.00 174.62 173.43 2d9f s ALA 86 N 2.90 1.43 0.21 7.40 0.00 0.78 0.02 121.76 134.49 2d9f s ALA 86 Ca 0.30 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.41 2d9f s ALA 86 Cb -0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2d9f s ALA 86 CO 0.14 0.31 0.35 1.41 0.00 0.00 0.00 175.76 177.98 2d9f s MET 87 N -0.94 3.46 -0.05 0.00 -2.45 0.34 0.09 119.30 119.73 2d9f s MET 87 Ca 0.05 -0.59 -0.02 0.00 -1.25 0.00 0.00 55.69 53.88 2d9f s MET 87 Cb -0.08 -2.89 0.03 0.00 1.25 0.00 0.00 34.83 33.15 2d9f s MET 87 CO 0.01 0.43 0.12 0.14 1.05 0.00 0.00 175.02 176.77 2d9f s VAL 88 N -1.91 -0.05 -0.30 10.11 -7.23 0.91 -0.64 120.40 121.31 2d9f s VAL 88 Ca 0.35 0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.69 2d9f s VAL 88 Cb -0.10 -0.20 0.09 0.00 0.56 0.00 0.00 36.38 36.73 2d9f s VAL 88 CO 0.29 0.07 0.06 0.42 -0.31 0.00 0.00 175.10 175.63 2d9f s THR 89 N 1.02 1.22 0.17 5.32 -4.23 -0.79 -1.70 115.64 116.64 2d9f s THR 89 Ca -0.08 -1.50 0.11 0.00 -1.18 0.00 0.00 61.69 59.04 2d9f s THR 89 Cb -0.10 -1.84 -0.04 0.00 1.34 0.00 0.00 72.50 71.85 2d9f s THR 89 CO -0.05 -0.54 -0.23 0.00 -0.54 0.00 0.00 174.62 173.27 2d9f s ALA 90 N 1.46 2.56 0.74 3.99 0.00 -1.25 -1.91 121.76 127.36 2d9f s ALA 90 Ca 0.07 -1.55 -0.15 0.00 0.00 0.00 0.00 51.96 50.33 2d9f s ALA 90 Cb -0.18 -0.42 0.05 0.00 0.00 0.00 0.00 23.12 22.57 2d9f s ALA 90 CO -0.18 0.48 1.22 0.34 0.00 0.00 0.00 175.76 177.62 2d9f s ASP 91 N -2.48 4.07 0.40 0.00 2.15 -1.25 -3.77 116.67 115.79 2d9f s ASP 91 Ca 0.19 2.39 0.23 0.00 0.43 0.00 0.00 52.55 55.79 2d9f s ASP 91 Cb -0.09 -2.59 1.26 0.00 -0.30 0.00 0.00 42.92 41.20 2d9f s ASP 91 CO 0.09 -2.35 1.66 0.77 -0.17 0.00 0.00 175.17 175.17 2d9f h SER 92 N -0.37 0.36 -1.00 -0.34 4.64 -1.87 0.68 113.55 115.65 2d9f h SER 92 Ca -0.48 0.15 0.19 0.00 -0.47 0.00 0.00 61.79 61.19 2d9f h SER 92 Cb 1.30 0.12 -0.10 0.00 -0.31 0.00 0.00 62.40 63.41 2d9f h SER 92 CO 0.49 -0.14 0.61 0.07 -0.87 0.00 0.00 176.83 176.99 2d9f h LYS 93 N 0.20 0.72 0.00 4.77 2.10 -1.89 0.40 116.57 122.88 2d9f h LYS 93 Ca 0.76 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 59.36 2d9f h LYS 93 Cb 2.10 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 33.27 2d9f h LYS 93 CO -0.48 0.47 -0.55 1.88 -2.00 0.00 0.00 179.45 178.78 2d9f h TYR 94 N 0.74 0.00 0.00 0.07 0.05 0.04 -3.32 116.97 114.55 2d9f h TYR 94 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.36 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 -0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 178.16 177.10 2d9f n TYR 96 N -2.76 0.00 0.00 0.00 4.02 0.11 -4.61 117.16 113.92 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 2.26 4.07 0.00 2.72 0.00 0.80 -4.79 105.19 110.26 2d9f n GLY 97 Ca 0.00 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.79 0.43 -0.08 1.61 -0.04 -1.26 -2.26 135.00 131.62 2d9f n PRO 98 Ca 0.00 0.03 -0.06 0.00 -0.04 0.00 0.00 63.50 63.43 2d9f n PRO 98 Cb 0.00 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 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 -1.06 0.68 0.00 0.54 10.64 -1.26 -4.46 117.38 122.46 2d9f n GLN 99 Ca 0.11 -0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 2d9f n GLN 99 Cb 0.07 -1.54 0.00 0.00 -0.86 0.00 0.00 30.24 27.90 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 1.64 0.77 3.17 2.61 0.00 -0.96 -4.68 105.19 107.75 2d9f n GLY 100 Ca -0.26 -2.21 -0.24 0.00 0.00 0.00 0.00 46.02 43.30 2d9f n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d9f n SER 101 N 0.00 2.74 -0.01 1.61 2.88 -1.04 -4.67 113.62 115.12 2d9f n SER 101 Ca 0.00 -2.70 -0.05 0.00 -1.33 0.00 0.00 58.87 54.79 2d9f n SER 101 Cb 0.00 0.08 -0.02 0.00 -0.75 0.00 0.00 64.21 63.53 2d9f n SER 101 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2d9f n ARG 102 N -1.41 0.20 -3.28 -1.46 0.00 -1.26 -4.14 116.66 105.31 2d9f n ARG 102 Ca -0.08 0.08 0.03 0.00 -0.00 0.00 0.00 57.85 57.88 2d9f n ARG 102 Cb 0.54 -0.85 -0.02 0.00 0.00 0.00 0.00 32.46 32.13 2d9f n ARG 102 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2d9f s SER 103 N -5.96 -1.31 0.13 6.15 1.04 -1.26 -2.44 113.70 110.06 2d9f s SER 103 Ca -0.11 1.06 -0.31 0.00 0.48 0.00 0.00 55.95 57.06 2d9f s SER 103 Cb 0.02 2.19 -0.08 0.00 0.10 0.00 0.00 66.02 68.26 2d9f s SER 103 CO 0.16 -0.25 1.35 -2.16 0.98 0.00 0.00 173.24 173.33 2d9f s PRO 104 N 2.87 4.35 0.64 4.02 0.04 -1.26 -5.13 135.00 140.53 2d9f s PRO 104 Ca 0.13 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 63.04 2d9f s PRO 104 Cb -0.14 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 2d9f s PRO 104 CO -0.20 -0.38 1.22 -0.47 0.04 0.00 0.00 177.00 177.22 2d9f s TYR 105 N 0.86 2.25 -0.12 0.56 6.14 -1.02 -4.77 117.35 121.26 2d9f s TYR 105 Ca 0.62 1.53 -0.14 0.00 0.64 0.00 0.00 57.07 59.72 2d9f s TYR 105 Cb -0.36 -3.52 0.03 0.00 0.42 0.00 0.00 41.96 38.54 2d9f s TYR 105 CO 0.32 -2.45 0.37 0.96 0.64 0.00 0.00 175.55 175.39 2d9f s ILE 106 N -1.66 0.01 0.43 3.14 -5.25 -1.26 -4.89 121.20 111.73 2d9f s ILE 106 Ca 0.78 -0.09 -0.24 0.00 -0.99 0.00 0.00 60.65 60.10 2d9f s ILE 106 Cb -0.31 -0.55 -0.08 0.00 2.95 0.00 0.00 42.46 44.46 2d9f s ILE 106 CO 0.38 -0.05 1.18 -2.16 -1.79 0.00 0.00 174.94 172.49 2d9f s PRO 107 N -0.12 3.88 0.68 0.37 0.04 -1.26 -2.50 135.00 136.09 2d9f s PRO 107 Ca -0.03 1.83 -0.14 0.00 0.04 0.00 0.00 61.00 62.69 2d9f s PRO 107 Cb -0.03 -2.53 0.01 0.00 0.04 0.00 0.00 34.50 31.98 2d9f s PRO 107 CO 0.01 -0.46 1.11 -1.25 0.04 0.00 0.00 177.00 176.45 2d9f s PRO 108 N -2.51 2.72 -0.72 0.56 0.04 -1.26 -3.21 135.00 130.61 2d9f s PRO 108 Ca 0.61 1.35 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2d9f s PRO 108 Cb -0.30 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2d9f s PRO 108 CO 0.37 -1.31 0.00 0.72 0.04 0.00 0.00 177.00 176.83 2d9f n HIS 109 N -2.58 -1.49 -3.68 0.56 8.25 -1.26 -4.89 115.22 110.13 2d9f n HIS 109 Ca 0.10 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.18 2d9f n HIS 109 Cb 0.52 -2.14 -0.10 0.00 1.12 0.00 0.00 29.99 29.39 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 -2.32 3.24 0.83 -1.41 0.00 -1.20 -4.79 121.76 116.11 2d9f s ALA 110 Ca 0.00 -2.42 -0.14 0.00 0.00 0.00 0.00 51.96 49.40 2d9f s ALA 110 Cb 0.00 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.58 2d9f s ALA 110 CO 0.00 -1.77 0.65 0.00 0.00 0.00 0.00 175.76 174.63 2d9f n ALA 111 N 4.76 -1.57 -3.52 0.00 0.00 -1.26 -4.08 120.51 114.83 2d9f n ALA 111 Ca -0.06 -0.41 -0.13 0.00 0.00 0.00 0.00 53.44 52.84 2d9f n ALA 111 Cb 0.42 -1.93 -0.14 0.00 0.00 0.00 0.00 19.45 17.80 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 -1.89 0.86 -0.16 0.00 1.43 -1.25 -3.38 118.68 114.29 2d9f s LEU 112 Ca 0.64 0.35 -0.24 0.00 -1.03 0.00 0.00 54.13 53.86 2d9f s LEU 112 Cb -0.28 0.50 -0.02 0.00 0.03 0.00 0.00 46.19 46.41 2d9f s LEU 112 CO 0.60 -0.12 0.75 0.00 0.23 0.00 0.00 176.35 177.80 2d9f s LEU 114 N 1.86 1.64 -0.45 0.00 1.43 -0.69 -3.05 118.68 119.42 2d9f s LEU 114 Ca 0.35 -0.39 -0.15 0.00 -1.03 0.00 0.00 54.13 52.91 2d9f s LEU 114 Cb -0.17 -1.01 0.05 0.00 0.03 0.00 0.00 46.19 45.10 2d9f s LEU 114 CO 0.13 0.00 0.36 -0.70 0.23 0.00 0.00 176.35 176.37 2d9f s GLU 115 N 1.02 2.98 -0.09 1.70 2.12 -1.26 -0.06 118.70 125.11 2d9f s GLU 115 Ca -0.07 -1.20 -0.21 0.00 0.36 0.00 0.00 54.97 53.86 2d9f s GLU 115 Cb -0.15 -4.07 -0.04 0.00 0.26 0.00 0.00 34.13 30.14 2d9f s GLU 115 CO -0.01 -0.92 0.59 0.08 -0.54 0.00 0.00 175.26 174.46 2d9f s VAL 116 N 1.68 5.11 -0.30 3.70 1.01 0.11 -3.69 120.40 128.03 2d9f s VAL 116 Ca 0.05 1.21 -0.02 0.00 0.00 0.00 0.00 61.98 63.22 2d9f s VAL 116 Cb -0.22 -3.93 0.10 0.00 0.00 0.00 0.00 36.38 32.33 2d9f s VAL 116 CO 0.08 0.28 0.10 -0.89 0.00 0.00 0.00 175.10 174.68 2d9f s THR 117 N 0.74 0.64 -0.25 3.92 2.01 -1.12 -0.16 115.64 121.42 2d9f s THR 117 Ca 0.32 -1.23 -0.29 0.00 0.31 0.00 0.00 61.69 60.80 2d9f s THR 117 Cb -0.16 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 2d9f s THR 117 CO 0.14 -0.68 1.74 -0.22 -0.69 0.00 0.00 174.62 174.91 2d9f s LEU 118 N 1.74 3.75 -0.02 4.42 1.98 -1.23 -2.46 118.68 126.85 2d9f s LEU 118 Ca 0.09 1.58 -0.01 0.00 -2.89 0.00 0.00 54.13 52.90 2d9f s LEU 118 Cb -0.17 -3.53 -0.00 0.00 0.66 0.00 0.00 46.19 43.15 2d9f s LEU 118 CO -0.28 -1.46 -0.03 0.29 -1.89 0.00 0.00 176.35 172.99 2d9f n LYS 119 N 8.01 0.06 -3.77 1.98 4.76 -1.06 -1.05 118.16 127.09 2d9f n LYS 119 Ca 0.21 0.26 -0.13 0.00 -2.87 0.00 0.00 58.31 55.78 2d9f n LYS 119 Cb 0.46 -0.85 -0.11 0.00 -1.84 0.00 0.00 35.03 32.68 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 -1.17 -0.00 -0.28 -0.18 -4.23 -1.23 -4.34 115.64 104.21 2d9f s THR 120 Ca -0.02 0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 60.47 2d9f s THR 120 Cb 0.00 -0.40 0.03 0.00 1.34 0.00 0.00 72.50 73.48 2d9f s THR 120 CO 0.03 0.01 -0.00 0.00 -0.54 0.00 0.00 174.62 174.12 2d9f s ALA 121 N 0.25 2.84 0.35 3.99 0.00 -1.26 -2.82 121.76 125.11 2d9f s ALA 121 Ca -0.01 -1.57 0.05 0.00 0.00 0.00 0.00 51.96 50.43 2d9f s ALA 121 Cb -0.03 -1.90 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 2d9f s ALA 121 CO -0.01 -1.01 0.18 1.33 0.00 0.00 0.00 175.76 176.26 2d9f n VAL 122 N 4.71 0.00 -0.07 0.00 0.24 -0.69 -4.98 118.33 117.54 2d9f n VAL 122 Ca -0.15 -2.19 -0.05 0.00 -2.04 0.00 0.00 64.34 59.92 2d9f n VAL 122 Cb 0.46 0.91 -0.13 0.00 -1.47 0.00 0.00 33.84 33.60 2d9f n VAL 122 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2d9f n ASP 123 N -1.66 0.97 -4.75 -1.34 2.03 -1.26 0.14 116.55 110.67 2d9f n ASP 123 Ca -0.01 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.90 2d9f n ASP 123 Cb 0.56 1.08 -0.06 0.00 -0.72 0.00 0.00 41.12 41.98 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 -2.56 4.81 0.56 -0.67 0.52 -1.26 -4.49 118.95 115.85 2d9f s ARG 124 Ca -0.08 1.56 -0.19 0.00 -0.52 0.00 0.00 55.73 56.51 2d9f s ARG 124 Cb 0.06 -3.26 -0.05 0.00 0.52 0.00 0.00 34.95 32.22 2d9f s ARG 124 CO 0.68 0.45 1.13 -1.25 0.02 0.00 0.00 175.30 176.33 2d9f s PRO 125 N -1.25 3.29 -0.03 3.54 0.04 -1.26 -4.87 135.00 134.47 2d9f s PRO 125 Ca 0.42 1.58 -0.23 0.00 0.04 0.00 0.00 61.00 62.81 2d9f s PRO 125 Cb -0.27 -2.00 -0.22 0.00 0.04 0.00 0.00 34.50 32.05 2d9f s PRO 125 CO 0.34 -0.89 1.10 -0.44 0.04 0.00 0.00 177.00 177.15 2d9f h ASP 126 N 1.06 0.28 -2.70 6.66 5.19 -1.98 -3.40 116.42 121.53 2d9f h ASP 126 Ca -0.50 -0.71 -0.67 0.00 -0.62 0.00 0.00 57.03 54.53 2d9f h ASP 126 Cb 1.26 -0.08 -0.17 0.00 0.18 0.00 0.00 39.33 40.51 2d9f h ASP 126 CO 0.57 0.95 0.49 -0.22 -3.12 0.00 0.00 179.24 177.90 2d9f s LEU 127 N -8.63 4.96 0.30 1.55 2.96 -1.26 -5.03 118.68 113.53 2d9f s LEU 127 Ca -0.15 -1.49 -0.29 0.00 -0.22 0.00 0.00 54.13 51.98 2d9f s LEU 127 Cb 0.02 -2.37 -0.10 0.00 0.50 0.00 0.00 46.19 44.24 2d9f s LEU 127 CO 0.75 -1.21 1.27 -1.61 -1.32 0.00 0.00 176.35 174.23 2d9f s GLU 128 N 3.12 4.41 -0.17 1.98 2.02 -1.26 -5.02 118.70 123.79 2d9f s GLU 128 Ca 0.22 2.12 -0.02 0.00 0.02 0.00 0.00 54.97 57.31 2d9f s GLU 128 Cb -0.15 -3.11 -0.01 0.00 0.10 0.00 0.00 34.13 30.96 2d9f s GLU 128 CO 0.03 -0.12 -0.09 -1.64 0.02 0.00 0.00 175.26 173.45 2d9f s MET 129 N -1.44 3.39 -0.20 1.61 -1.94 -1.26 -5.00 119.30 114.45 2d9f s MET 129 Ca 0.49 -0.66 -0.02 0.00 -1.71 0.00 0.00 55.69 53.79 2d9f s MET 129 Cb -0.38 -2.79 0.02 0.00 2.01 0.00 0.00 34.83 33.69 2d9f s MET 129 CO 0.48 0.05 2.52 0.43 -0.01 0.00 0.00 175.02 178.49 2d9f n SER 130 N 4.04 5.92 -3.72 3.03 7.64 -1.26 -4.83 113.62 124.44 2d9f n SER 130 Ca -0.18 -2.80 -0.14 0.00 1.01 0.00 0.00 58.87 56.76 2d9f n SER 130 Cb 0.52 -1.19 -0.09 0.00 -1.01 0.00 0.00 64.21 62.44 2d9f n SER 130 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2d9f s GLY 131 N 1.07 -0.27 -0.48 0.23 0.00 -1.26 -5.11 107.32 101.50 2d9f s GLY 131 Ca 0.37 0.79 -0.27 0.00 0.00 0.00 0.00 44.72 45.60 2d9f s GLY 131 CO -0.05 0.58 1.78 2.56 0.00 0.00 0.00 173.10 177.98 2d9f s PRO 132 N -0.66 3.00 0.00 2.90 0.04 -1.26 -4.96 135.00 134.06 2d9f s PRO 132 Ca -0.08 0.95 -0.03 0.00 0.04 0.00 0.00 61.00 61.89 2d9f s PRO 132 Cb -0.04 -4.27 -0.01 0.00 0.04 0.00 0.00 34.50 30.22 2d9f s PRO 132 CO 0.03 -2.27 0.05 -1.54 0.04 0.00 0.00 177.00 173.32 2d9f s SER 133 N 6.85 0.08 -0.02 6.66 1.04 -1.26 -5.11 113.70 121.93 2d9f s SER 133 Ca 0.71 -0.21 -0.38 0.00 0.48 0.00 0.00 55.95 56.55 2d9f s SER 133 Cb -0.16 0.14 -0.17 0.00 0.10 0.00 0.00 66.02 65.93 2d9f s SER 133 CO 0.27 -0.23 1.42 -0.24 0.98 0.00 0.00 173.24 175.43 2d9f n SER 134 N 2.02 1.65 -0.89 7.02 2.88 -1.26 -5.20 113.62 119.85 2d9f n SER 134 Ca -0.20 1.11 0.11 0.00 -1.33 0.00 0.00 58.87 58.57 2d9f n SER 134 Cb 0.57 -1.15 0.09 0.00 -0.75 0.00 0.00 64.21 62.97 2d9f n SER 134 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42