#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9f n SER 2 N 0.00 0.48 -4.67 1.61 7.64 -1.26 -5.06 113.62 112.37 2d9f n SER 2 Ca 0.00 0.06 -0.38 0.00 1.01 0.00 0.00 58.87 59.56 2d9f n SER 2 Cb 0.00 -0.15 0.05 0.00 -1.01 0.00 0.00 64.21 63.11 2d9f n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2d9f n SER 3 N -3.22 1.47 -3.86 6.43 7.64 -1.26 -5.02 113.62 115.80 2d9f n SER 3 Ca -0.01 0.85 -0.09 0.00 1.01 0.00 0.00 58.87 60.64 2d9f n SER 3 Cb 0.30 -1.47 -0.04 0.00 -1.01 0.00 0.00 64.21 61.99 2d9f n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2d9f s GLY 4 N -1.21 0.14 -0.12 0.23 0.00 -1.26 -5.07 107.32 100.02 2d9f s GLY 4 Ca 0.77 -0.48 -0.26 0.00 0.00 0.00 0.00 44.72 44.75 2d9f s GLY 4 CO 0.46 -0.35 0.74 0.23 0.00 0.00 0.00 173.10 174.17 2d9f h SER 5 N 2.17 0.15 -3.31 1.64 0.87 -2.07 -3.47 113.55 109.54 2d9f h SER 5 Ca -0.25 -0.94 -0.41 0.00 -1.23 0.00 0.00 61.79 58.96 2d9f h SER 5 Cb 1.25 -0.05 0.20 0.00 -0.44 0.00 0.00 62.40 63.37 2d9f h SER 5 CO 0.33 1.19 0.01 -0.44 -0.53 0.00 0.00 176.83 177.39 2d9f s SER 6 N -6.53 0.34 -0.10 6.23 0.01 -1.26 -5.03 113.70 107.37 2d9f s SER 6 Ca -0.18 0.98 -0.00 0.00 1.31 0.00 0.00 55.95 58.05 2d9f s SER 6 Cb -0.01 -1.45 -0.03 0.00 0.21 0.00 0.00 66.02 64.75 2d9f s SER 6 CO 0.72 -4.52 -0.07 -0.83 0.41 0.00 0.00 173.24 168.95 2d9f s GLY 7 N -3.23 1.67 -0.13 3.44 0.00 -1.26 -5.01 107.32 102.80 2d9f s GLY 7 Ca 0.69 -0.88 -0.06 0.00 0.00 0.00 0.00 44.72 44.48 2d9f s GLY 7 CO 0.59 -0.47 3.43 1.18 0.00 0.00 0.00 173.10 177.83 2d9f n GLU 8 N 2.70 2.12 -0.01 2.90 1.02 -1.26 -4.07 120.64 124.05 2d9f n GLU 8 Ca -0.18 -1.32 0.10 0.00 -0.02 0.00 0.00 57.16 55.74 2d9f n GLU 8 Cb 0.53 -2.04 -0.15 0.00 -0.02 0.00 0.00 31.44 29.76 2d9f n GLU 8 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2d9f n GLU 9 N 2.15 0.49 -3.56 3.49 1.02 -1.26 -4.98 120.64 118.00 2d9f n GLU 9 Ca 0.45 -0.12 -0.22 0.00 -0.02 0.00 0.00 57.16 57.25 2d9f n GLU 9 Cb 0.83 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.76 2d9f n GLU 9 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2d9f s TRP 10 N -3.26 2.11 -0.11 -0.32 0.52 -1.26 -5.05 118.94 111.58 2d9f s TRP 10 Ca -0.02 -0.65 -0.04 0.00 0.02 0.00 0.00 56.10 55.41 2d9f s TRP 10 Cb 0.14 -2.10 -0.04 0.00 -1.15 0.00 0.00 33.47 30.33 2d9f s TRP 10 CO 0.86 -0.44 0.04 -1.17 0.02 0.00 0.00 176.95 176.26 2d9f s LEU 11 N -4.29 3.78 -0.60 2.99 0.20 -0.96 -4.95 118.68 114.86 2d9f s LEU 11 Ca 0.46 0.20 -0.17 0.00 0.69 0.00 0.00 54.13 55.30 2d9f s LEU 11 Cb -0.04 -1.89 0.12 0.00 -0.43 0.00 0.00 46.19 43.96 2d9f s LEU 11 CO 0.28 0.35 0.64 -1.81 -0.29 0.00 0.00 176.35 175.52 2d9f s ASP 12 N -0.70 6.24 0.13 3.68 1.11 -1.26 -1.35 116.67 124.52 2d9f s ASP 12 Ca 0.12 -1.69 -0.15 0.00 0.18 0.00 0.00 52.55 51.00 2d9f s ASP 12 Cb -0.12 -2.26 -0.02 0.00 1.07 0.00 0.00 42.92 41.60 2d9f s ASP 12 CO 0.02 -0.97 1.61 0.40 1.18 0.00 0.00 175.17 177.41 2d9f h ILE 13 N 5.82 1.24 0.00 0.77 2.04 -1.84 -3.21 117.51 122.33 2d9f h ILE 13 Ca -0.25 -0.85 -0.29 0.00 1.00 0.00 0.00 64.86 64.47 2d9f h ILE 13 Cb 1.09 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 38.14 2d9f h ILE 13 CO 1.05 0.29 -1.70 0.18 0.00 0.00 0.00 178.15 177.97 2d9f n LEU 14 N -4.53 0.86 0.00 1.44 4.77 -1.25 -4.99 117.00 113.30 2d9f n LEU 14 Ca -0.01 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 2d9f n LEU 14 Cb 0.23 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2d9f n LEU 14 CO 0.39 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 2d9f n GLY 15 N 1.55 2.36 0.24 -0.72 0.00 -1.22 -4.92 105.19 102.48 2d9f n GLY 15 Ca -0.17 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 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 0.69 -0.45 0.00 1.61 -1.07 -1.92 -3.48 115.58 110.96 2d9f h ASN 16 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 56.30 56.33 2d9f h ASN 16 Cb 0.00 0.12 0.00 0.00 -2.07 0.00 0.00 38.32 36.37 2d9f h ASN 16 CO 0.00 -0.25 0.00 0.61 0.07 0.00 0.00 177.43 177.86 2d9f n GLY 17 N -1.06 0.96 0.00 9.14 0.00 -1.26 -5.04 105.19 107.92 2d9f n GLY 17 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.01 -4.59 0.99 7.99 -1.26 -4.51 117.00 115.63 2d9f n LEU 18 Ca 0.00 0.87 -0.42 0.00 -0.01 0.00 0.00 56.01 56.45 2d9f n LEU 18 Cb 0.00 -0.49 -0.02 0.00 -0.11 0.00 0.00 43.42 42.79 2d9f n LEU 18 CO 0.00 -0.49 1.22 -0.22 -1.51 0.00 0.00 177.39 176.38 2d9f s LEU 19 N -3.95 3.51 0.35 2.23 2.96 -1.26 -3.86 118.68 118.66 2d9f s LEU 19 Ca 0.00 0.54 0.09 0.00 -0.22 0.00 0.00 54.13 54.54 2d9f s LEU 19 Cb 0.00 -3.33 -0.06 0.00 0.50 0.00 0.00 46.19 43.30 2d9f s LEU 19 CO 0.00 -1.53 -0.05 -0.13 -1.32 0.00 0.00 176.35 173.32 2d9f s ARG 20 N 5.12 1.92 -0.02 1.98 0.52 -1.14 -2.50 118.95 124.83 2d9f s ARG 20 Ca 0.56 -1.88 0.03 0.00 -0.52 0.00 0.00 55.73 53.91 2d9f s ARG 20 Cb -0.11 -1.78 -0.00 0.00 0.52 0.00 0.00 34.95 33.57 2d9f s ARG 20 CO 0.29 0.13 -0.09 0.21 0.02 0.00 0.00 175.30 175.86 2d9f s LYS 21 N -3.66 0.85 -0.33 3.54 2.20 -0.46 -2.79 119.74 119.10 2d9f s LYS 21 Ca 0.34 -0.31 -0.01 0.00 -0.36 0.00 0.00 55.97 55.62 2d9f s LYS 21 Cb 0.02 -0.81 0.11 0.00 -1.51 0.00 0.00 37.83 35.64 2d9f s LYS 21 CO 0.18 0.15 0.14 0.21 -0.36 0.00 0.00 175.35 175.67 2d9f s LYS 22 N -0.00 0.63 -0.21 4.03 2.20 0.38 -2.26 119.74 124.50 2d9f s LYS 22 Ca 0.00 -1.08 -0.29 0.00 -0.36 0.00 0.00 55.97 54.24 2d9f s LYS 22 Cb -0.06 -1.73 -0.07 0.00 -1.51 0.00 0.00 37.83 34.46 2d9f s LYS 22 CO 0.00 -1.04 2.19 2.41 -0.36 0.00 0.00 175.35 178.55 2d9f n THR 23 N 4.69 0.36 0.04 3.43 -1.04 -1.26 -0.22 114.28 120.29 2d9f n THR 23 Ca -0.00 -0.40 -0.21 0.00 -2.04 0.00 0.00 64.05 61.40 2d9f n THR 23 Cb 0.40 -2.39 -0.14 0.00 -1.82 0.00 0.00 70.33 66.38 2d9f n THR 23 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2d9f h LEU 24 N 14.16 0.48 -6.81 -4.42 3.38 0.15 -3.45 115.31 118.79 2d9f h LEU 24 Ca -0.40 -0.91 -0.35 0.00 0.09 0.00 0.00 57.88 56.32 2d9f h LEU 24 Cb 1.25 -0.15 -0.37 0.00 0.09 0.00 0.00 40.66 41.48 2d9f h LEU 24 CO 0.97 1.54 -0.65 -0.69 0.09 0.00 0.00 178.44 179.70 2d9f s VAL 25 N -2.47 -0.28 0.52 1.22 1.01 0.73 -4.95 120.40 116.17 2d9f s VAL 25 Ca -0.16 -0.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 2d9f s VAL 25 Cb 0.03 -0.69 -0.06 0.00 0.00 0.00 0.00 36.38 35.66 2d9f s VAL 25 CO 0.82 -0.25 1.14 -2.16 0.00 0.00 0.00 175.10 174.65 2d9f s PRO 26 N 2.29 3.49 0.65 2.72 0.04 -1.26 0.45 135.00 143.38 2d9f s PRO 26 Ca 0.06 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 2d9f s PRO 26 Cb -0.16 -2.14 0.08 0.00 0.04 0.00 0.00 34.50 32.33 2d9f s PRO 26 CO -0.13 -0.75 0.91 0.20 0.04 0.00 0.00 177.00 177.26 2d9f s GLY 27 N -1.64 1.78 0.93 0.56 0.00 -1.26 -4.80 107.32 102.90 2d9f s GLY 27 Ca 0.70 -1.49 -0.12 0.00 0.00 0.00 0.00 44.72 43.81 2d9f s GLY 27 CO 0.29 -1.05 1.09 2.56 0.00 0.00 0.00 173.10 175.99 2d9f s PRO 28 N -5.00 0.96 0.00 2.90 0.04 -1.26 -4.92 135.00 127.72 2d9f s PRO 28 Ca 0.62 0.71 0.14 0.00 0.04 0.00 0.00 61.00 62.52 2d9f s PRO 28 Cb -0.08 -1.78 0.65 0.00 0.04 0.00 0.00 34.50 33.33 2d9f s PRO 28 CO 0.42 -2.42 1.44 -0.35 0.04 0.00 0.00 177.00 176.13 2d9f n PRO 29 N -3.99 0.06 -0.07 0.56 -0.04 -1.26 -3.38 135.00 126.88 2d9f n PRO 29 Ca 0.06 0.22 -0.09 0.00 -0.04 0.00 0.00 63.50 63.65 2d9f n PRO 29 Cb 0.56 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.00 -1.20 0.55 0.00 -1.99 -3.47 103.07 99.40 2d9f h GLY 30 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.90 2d9f h GLY 30 CO 0.00 0.00 -0.31 1.44 0.00 0.00 0.00 176.54 177.67 2d9f n SER 31 N -4.63 -2.11 -3.67 0.19 7.64 -1.22 -5.06 113.62 104.76 2d9f n SER 31 Ca -0.10 -0.22 -0.09 0.00 1.01 0.00 0.00 58.87 59.47 2d9f n SER 31 Cb 0.32 -1.16 -0.03 0.00 -1.01 0.00 0.00 64.21 62.34 2d9f n SER 31 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d9f s SER 32 N -2.25 -0.02 0.39 6.43 0.01 -1.26 -4.87 113.70 112.14 2d9f s SER 32 Ca 0.65 -0.93 -0.26 0.00 1.31 0.00 0.00 55.95 56.73 2d9f s SER 32 Cb -0.22 0.69 -0.09 0.00 0.21 0.00 0.00 66.02 66.62 2d9f s SER 32 CO 0.66 -1.33 1.25 -0.13 0.41 0.00 0.00 173.24 174.09 2d9f s ARG 33 N -3.56 4.04 0.36 12.44 0.52 -1.26 -0.67 118.95 130.82 2d9f s ARG 33 Ca 0.18 2.03 -0.06 0.00 -0.52 0.00 0.00 55.73 57.36 2d9f s ARG 33 Cb -0.03 -2.76 0.09 0.00 0.52 0.00 0.00 34.95 32.77 2d9f s ARG 33 CO 0.10 -0.39 0.32 -0.35 0.02 0.00 0.00 175.30 175.01 2d9f n PRO 34 N 0.18 -1.65 -4.42 3.54 -0.04 -1.26 -4.88 135.00 126.47 2d9f n PRO 34 Ca 0.04 -0.52 -0.26 0.00 -0.04 0.00 0.00 63.50 62.72 2d9f n PRO 34 Cb 0.45 -0.48 -0.11 0.00 -0.04 0.00 0.00 33.50 33.31 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 -1.58 2.31 -0.30 0.52 0.11 -1.26 -4.93 120.40 115.26 2d9f s VAL 35 Ca 0.21 -2.07 -0.26 0.00 -2.93 0.00 0.00 61.98 56.93 2d9f s VAL 35 Cb -0.02 -2.12 0.01 0.00 -1.53 0.00 0.00 36.38 32.72 2d9f s VAL 35 CO 0.16 -0.18 0.91 -0.75 -3.33 0.00 0.00 175.10 171.91 2d9f s LYS 36 N -2.79 4.05 0.00 1.54 2.20 -1.26 -3.59 119.74 119.88 2d9f s LYS 36 Ca 0.21 0.85 0.00 0.00 -0.36 0.00 0.00 55.97 56.67 2d9f s LYS 36 Cb -0.07 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 2d9f s LYS 36 CO 0.10 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 2d9f n GLY 37 N 3.97 1.15 3.85 5.54 0.00 0.52 -4.87 105.19 115.35 2d9f n GLY 37 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 2.80 -0.45 1.61 -0.21 -1.24 -4.79 119.66 117.38 2d9f s GLN 38 Ca 0.00 -1.21 -0.29 0.00 0.02 0.00 0.00 55.36 53.88 2d9f s GLN 38 Cb 0.00 -2.52 0.01 0.00 1.00 0.00 0.00 33.01 31.51 2d9f s GLN 38 CO 0.00 0.18 1.37 0.08 -2.12 0.00 0.00 175.29 174.80 2d9f s VAL 39 N -2.25 3.93 -0.15 1.09 1.01 0.36 -3.03 120.40 121.36 2d9f s VAL 39 Ca 0.39 0.93 -0.04 0.00 0.00 0.00 0.00 61.98 63.26 2d9f s VAL 39 Cb -0.07 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 2d9f s VAL 39 CO 0.26 -0.87 -0.01 0.68 0.00 0.00 0.00 175.10 175.16 2d9f s VAL 40 N 5.38 4.11 -0.19 2.92 -7.23 -1.00 -1.22 120.40 123.16 2d9f s VAL 40 Ca 0.58 -0.28 -0.01 0.00 -1.81 0.00 0.00 61.98 60.45 2d9f s VAL 40 Cb -0.12 -2.80 0.00 0.00 0.56 0.00 0.00 36.38 34.02 2d9f s VAL 40 CO 0.31 0.50 -0.11 -0.89 -0.31 0.00 0.00 175.10 174.60 2d9f s THR 41 N 0.26 2.85 0.33 5.32 2.01 -0.76 -2.84 115.64 122.79 2d9f s THR 41 Ca -0.01 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.37 2d9f s THR 41 Cb -0.14 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 2d9f s THR 41 CO 0.02 0.48 0.25 0.68 -0.69 0.00 0.00 174.62 175.37 2d9f s VAL 42 N 1.22 0.05 -0.40 3.82 -7.23 -0.43 -1.75 120.40 115.67 2d9f s VAL 42 Ca 0.02 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.18 2d9f s VAL 42 Cb -0.14 -2.49 0.11 0.00 0.56 0.00 0.00 36.38 34.42 2d9f s VAL 42 CO -0.05 0.00 0.18 -2.28 -0.31 0.00 0.00 175.10 172.64 2d9f s HIS 43 N -3.49 3.62 -0.14 2.82 2.46 -1.16 -1.48 115.29 117.92 2d9f s HIS 43 Ca 0.39 -2.53 -0.07 0.00 0.47 0.00 0.00 55.06 53.32 2d9f s HIS 43 Cb 0.03 -3.17 -0.04 0.00 -0.13 0.00 0.00 32.58 29.26 2d9f s HIS 43 CO 0.25 -0.97 0.10 -1.17 -2.47 0.00 0.00 174.74 170.49 2d9f s LEU 44 N 1.09 4.13 -0.09 8.88 1.98 -0.99 -3.95 118.68 129.73 2d9f s LEU 44 Ca 0.09 0.30 -0.02 0.00 -2.89 0.00 0.00 54.13 51.61 2d9f s LEU 44 Cb -0.22 -2.02 0.03 0.00 0.66 0.00 0.00 46.19 44.64 2d9f s LEU 44 CO -0.05 0.31 0.02 -1.10 -1.89 0.00 0.00 176.35 173.64 2d9f s GLN 45 N -0.46 0.51 -0.00 1.98 -0.21 -1.26 -0.61 119.66 119.61 2d9f s GLN 45 Ca 0.11 0.06 -0.24 0.00 0.02 0.00 0.00 55.36 55.31 2d9f s GLN 45 Cb -0.12 -1.12 -0.05 0.00 1.00 0.00 0.00 33.01 32.72 2d9f s GLN 45 CO 0.02 -0.37 0.73 0.99 -2.12 0.00 0.00 175.29 174.54 2d9f s THR 46 N 1.99 4.88 -0.15 -0.19 2.01 0.82 -3.87 115.64 121.12 2d9f s THR 46 Ca 0.04 1.53 -0.09 0.00 0.31 0.00 0.00 61.69 63.48 2d9f s THR 46 Cb -0.13 -4.07 0.05 0.00 0.01 0.00 0.00 72.50 68.36 2d9f s THR 46 CO -0.06 0.32 0.37 -0.94 -0.69 0.00 0.00 174.62 173.63 2d9f s SER 47 N 0.29 -0.45 0.70 3.53 1.04 -1.01 -0.87 113.70 116.93 2d9f s SER 47 Ca 0.38 0.80 -0.16 0.00 0.48 0.00 0.00 55.95 57.44 2d9f s SER 47 Cb -0.19 0.70 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 2d9f s SER 47 CO 0.21 -0.18 0.67 0.18 0.98 0.00 0.00 173.24 175.09 2d9f n LEU 48 N 4.05 1.68 -0.04 2.42 7.99 -0.57 -0.50 117.00 132.03 2d9f n LEU 48 Ca -0.22 0.63 0.23 0.00 -0.01 0.00 0.00 56.01 56.64 2d9f n LEU 48 Cb 0.55 -1.27 0.72 0.00 -0.11 0.00 0.00 43.42 43.31 2d9f n LEU 48 CO 0.10 -2.76 1.21 -0.08 -1.51 0.00 0.00 177.39 174.35 2d9f h GLU 49 N -0.25 0.00 0.01 3.23 4.22 -1.91 -0.99 114.58 118.89 2d9f h GLU 49 Ca -0.46 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 58.91 2d9f h GLU 49 Cb 1.35 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.61 2d9f h GLU 49 CO 0.44 0.00 -0.27 -2.95 -2.18 0.00 0.00 179.01 174.05 2d9f h ASN 50 N 0.00 0.23 0.00 1.04 7.08 -1.92 -3.48 115.58 118.53 2d9f h ASN 50 Ca 0.30 -0.80 0.00 0.00 -3.08 0.00 0.00 56.30 52.72 2d9f h ASN 50 Cb 1.28 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 37.45 2d9f h ASN 50 CO -0.00 1.00 0.00 0.61 -2.08 0.00 0.00 177.43 176.96 2d9f n GLY 51 N 1.11 0.00 3.06 9.14 0.00 -0.38 -5.12 105.19 113.01 2d9f n GLY 51 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 2.94 -0.00 2.61 2.01 -1.25 -4.87 115.64 117.08 2d9f s THR 52 Ca 0.00 -2.41 -0.32 0.00 0.31 0.00 0.00 61.69 59.27 2d9f s THR 52 Cb 0.00 -3.04 -0.10 0.00 0.01 0.00 0.00 72.50 69.37 2d9f s THR 52 CO 0.00 -0.70 1.94 0.54 -0.69 0.00 0.00 174.62 175.71 2d9f n ARG 53 N 4.17 2.61 -0.05 4.92 1.74 -1.26 -1.51 116.66 127.28 2d9f n ARG 53 Ca 0.02 0.96 -0.19 0.00 -0.77 0.00 0.00 57.85 57.87 2d9f n ARG 53 Cb 0.40 -2.87 -0.13 0.00 -1.02 0.00 0.00 32.46 28.84 2d9f n ARG 53 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2d9f n VAL 54 N 5.36 1.64 -3.63 1.55 0.31 -0.05 -4.95 118.33 118.56 2d9f n VAL 54 Ca 0.21 -0.63 -0.15 0.00 -0.01 0.00 0.00 64.34 63.76 2d9f n VAL 54 Cb 0.36 -1.53 -0.07 0.00 -0.91 0.00 0.00 33.84 31.69 2d9f n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2d9f s GLN 55 N -2.54 0.82 -0.07 5.55 1.03 -1.18 -4.98 119.66 118.29 2d9f s GLN 55 Ca -0.26 0.60 0.02 0.00 0.04 0.00 0.00 55.36 55.76 2d9f s GLN 55 Cb 0.08 0.39 0.02 0.00 0.03 0.00 0.00 33.01 33.52 2d9f s GLN 55 CO 0.70 -0.16 -0.10 -2.00 -2.54 0.00 0.00 175.29 171.19 2d9f s GLU 56 N -0.25 1.50 -0.32 9.60 -6.30 -1.26 -0.13 118.70 121.54 2d9f s GLU 56 Ca -0.04 -0.33 0.03 0.00 -2.50 0.00 0.00 54.97 52.13 2d9f s GLU 56 Cb -0.03 -1.31 0.09 0.00 0.00 0.00 0.00 34.13 32.87 2d9f s GLU 56 CO 0.04 -0.04 0.01 -2.00 0.02 0.00 0.00 175.26 173.29 2d9f s GLU 57 N 0.86 1.61 0.22 4.30 2.56 0.22 -4.97 118.70 123.49 2d9f s GLU 57 Ca -0.11 -1.68 -0.02 0.00 0.00 0.00 0.00 54.97 53.16 2d9f s GLU 57 Cb -0.15 -3.05 0.20 0.00 2.00 0.00 0.00 34.13 33.13 2d9f s GLU 57 CO 0.01 -0.85 1.58 -1.00 -0.56 0.00 0.00 175.26 174.44 2d9f h PRO 58 N 7.68 0.56 -2.31 4.30 0.13 -1.87 -2.63 132.00 137.87 2d9f h PRO 58 Ca -0.08 -0.30 -0.60 0.00 -0.87 0.00 0.00 66.00 64.15 2d9f h PRO 58 Cb 1.03 0.01 -0.41 0.00 0.13 0.00 0.00 31.00 31.75 2d9f h PRO 58 CO 0.50 0.89 -0.70 -1.91 -0.23 0.00 0.00 178.00 176.55 2d9f n GLU 59 N -4.02 1.99 -3.05 0.86 2.13 -1.26 -4.43 120.64 112.86 2d9f n GLU 59 Ca -0.02 -4.32 -0.41 0.00 0.66 0.00 0.00 57.16 53.07 2d9f n GLU 59 Cb 0.53 -2.05 -0.06 0.00 0.27 0.00 0.00 31.44 30.13 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 -1.98 4.07 0.13 4.31 1.98 -0.55 -4.96 118.68 121.69 2d9f s LEU 60 Ca 0.36 0.76 0.11 0.00 -2.89 0.00 0.00 54.13 52.48 2d9f s LEU 60 Cb 0.12 -2.93 -0.04 0.00 0.66 0.00 0.00 46.19 43.99 2d9f s LEU 60 CO -0.06 -0.42 -0.27 0.54 -1.89 0.00 0.00 176.35 174.25 2d9f s VAL 61 N 2.60 2.29 0.17 1.68 0.11 -1.26 -1.32 120.40 124.67 2d9f s VAL 61 Ca 0.28 -1.73 -0.23 0.00 -2.93 0.00 0.00 61.98 57.37 2d9f s VAL 61 Cb -0.15 -2.01 0.07 0.00 -1.53 0.00 0.00 36.38 32.76 2d9f s VAL 61 CO 0.08 0.10 1.02 0.72 -3.33 0.00 0.00 175.10 173.70 2d9f s PHE 62 N -1.06 0.00 -0.54 1.54 -0.12 -1.13 -5.02 117.98 111.65 2d9f s PHE 62 Ca 0.14 -0.37 -0.08 0.00 -0.05 0.00 0.00 56.93 56.58 2d9f s PHE 62 Cb -0.10 0.68 0.14 0.00 -0.63 0.00 0.00 43.02 43.11 2d9f s PHE 62 CO 0.06 -0.88 0.40 0.99 -0.05 0.00 0.00 175.22 175.75 2d9f s THR 63 N -2.54 4.18 0.11 -4.49 2.01 -1.26 -2.38 115.64 111.26 2d9f s THR 63 Ca 0.18 -2.14 -0.36 0.00 0.31 0.00 0.00 61.69 59.68 2d9f s THR 63 Cb -0.02 -3.73 -0.16 0.00 0.01 0.00 0.00 72.50 68.59 2d9f s THR 63 CO 0.04 -0.82 1.33 -0.11 -0.69 0.00 0.00 174.62 174.37 2d9f n LEU 64 N 4.47 1.76 0.00 4.42 7.94 -1.17 -1.75 117.00 132.67 2d9f n LEU 64 Ca -0.01 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 2d9f n LEU 64 Cb 0.41 -1.22 0.00 0.00 0.53 0.00 0.00 43.42 43.14 2d9f n LEU 64 CO 0.39 -1.02 0.00 0.61 -1.11 0.00 0.00 177.39 176.26 2d9f n GLY 65 N 2.52 0.87 0.48 -3.96 0.00 -1.26 0.19 105.19 104.03 2d9f n GLY 65 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 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 2.77 -4.41 1.61 9.92 -0.72 -4.98 116.55 120.75 2d9f n ASP 66 Ca 0.00 -2.17 -0.39 0.00 -0.53 0.00 0.00 54.79 51.70 2d9f n ASP 66 Cb 0.00 -0.22 -0.07 0.00 -0.64 0.00 0.00 41.12 40.20 2d9f n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2d9f n ASP 68 N -2.59 0.00 -3.15 0.00 8.00 -1.26 -4.79 116.55 112.76 2d9f n ASP 68 Ca 0.03 0.26 -0.17 0.00 0.71 0.00 0.00 54.79 55.61 2d9f n ASP 68 Cb 0.50 -0.39 -0.05 0.00 -0.02 0.00 0.00 41.12 41.17 2d9f n ASP 68 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2d9f n VAL 69 N -1.39 0.00 -1.52 2.53 0.24 -1.26 -5.01 118.33 111.92 2d9f n VAL 69 Ca 0.06 -1.57 -0.40 0.00 -2.04 0.00 0.00 64.34 60.39 2d9f n VAL 69 Cb 0.17 0.53 0.02 0.00 -1.47 0.00 0.00 33.84 33.09 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 -0.64 2.31 0.41 1.34 2.08 -1.26 -4.68 119.36 118.92 2d9f n ILE 70 Ca -0.05 -0.50 0.07 0.00 0.56 0.00 0.00 62.75 62.83 2d9f n ILE 70 Cb 0.41 -0.83 0.30 0.00 -0.75 0.00 0.00 39.64 38.77 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 0.12 0.03 0.02 0.38 6.02 -0.99 -1.42 117.38 121.55 2d9f n GLN 71 Ca 0.11 0.32 0.11 0.00 -0.01 0.00 0.00 57.00 57.53 2d9f n GLN 71 Cb 0.42 -1.57 -0.03 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 -1.55 3.36 -0.13 -1.58 0.00 -1.25 -3.54 120.51 115.82 2d9f n ALA 72 Ca 0.03 -0.43 -0.25 0.00 0.00 0.00 0.00 53.44 52.78 2d9f n ALA 72 Cb 0.15 -0.92 -0.11 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.03 2.30 0.26 0.00 7.94 -0.67 -3.74 117.00 121.06 2d9f n LEU 73 Ca 0.01 0.19 0.14 0.00 -1.11 0.00 0.00 56.01 55.24 2d9f n LEU 73 Cb 0.46 -0.87 0.64 0.00 0.53 0.00 0.00 43.42 44.18 2d9f n LEU 73 CO 0.42 0.68 0.93 -0.78 -1.11 0.00 0.00 177.39 177.52 2d9f h ASP 74 N -0.64 0.00 -0.02 1.96 1.82 -1.45 0.34 116.42 118.43 2d9f h ASP 74 Ca -0.63 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.01 2d9f h ASP 74 Cb 1.70 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.71 2d9f h ASP 74 CO -0.29 0.11 -0.02 0.18 -1.61 0.00 0.00 179.24 177.61 2d9f n LEU 75 N -3.31 2.28 -0.02 2.28 4.32 -1.23 -4.24 117.00 117.08 2d9f n LEU 75 Ca -0.00 -0.76 -0.02 0.00 -0.02 0.00 0.00 56.01 55.21 2d9f n LEU 75 Cb 0.33 -0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.10 2d9f n LEU 75 CO 0.30 0.38 -0.61 -1.54 -1.22 0.00 0.00 177.39 174.70 2d9f n SER 76 N 0.75 4.06 -0.10 -1.43 3.41 -0.79 -4.65 113.62 114.87 2d9f n SER 76 Ca 0.16 -0.01 -0.09 0.00 -0.26 0.00 0.00 58.87 58.67 2d9f n SER 76 Cb 0.48 0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.79 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 -0.52 0.44 116.25 115.10 2d9f h VAL 77 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2d9f h VAL 77 Cb 1.18 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 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 -0.24 1.57 -0.04 -1.26 -1.97 135.00 128.13 2d9f n PRO 78 Ca -0.00 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 2d9f n PRO 78 Cb 0.34 -1.26 0.19 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.76 3.19 -3.97 1.53 4.77 0.15 -4.83 117.00 117.09 2d9f n LEU 79 Ca 0.06 -2.16 -0.10 0.00 -0.03 0.00 0.00 56.01 53.78 2d9f n LEU 79 Cb 0.03 -0.30 -0.12 0.00 -2.33 0.00 0.00 43.42 40.70 2d9f n LEU 79 CO 0.04 0.74 -0.37 0.00 -1.33 0.00 0.00 177.39 176.48 2d9f s MET 80 N -1.29 0.30 0.24 3.23 0.23 -0.83 -5.07 119.30 116.11 2d9f s MET 80 Ca 0.28 -0.54 -0.23 0.00 -1.03 0.00 0.00 55.69 54.18 2d9f s MET 80 Cb 0.17 0.03 -0.09 0.00 -1.53 0.00 0.00 34.83 33.42 2d9f s MET 80 CO 0.16 -0.03 0.80 -0.51 -2.03 0.00 0.00 175.02 173.41 2d9f s ASP 81 N -1.25 7.22 -0.25 -1.18 1.01 -1.26 -4.11 116.67 116.85 2d9f s ASP 81 Ca -0.13 1.59 -0.34 0.00 0.71 0.00 0.00 52.55 54.38 2d9f s ASP 81 Cb -0.08 -2.48 -0.11 0.00 1.01 0.00 0.00 42.92 41.25 2d9f s ASP 81 CO -0.01 0.05 2.07 0.55 0.21 0.00 0.00 175.17 178.04 2d9f n VAL 82 N 0.88 0.33 0.00 -1.27 3.14 0.15 -0.93 118.33 120.64 2d9f n VAL 82 Ca -0.02 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 2d9f n VAL 82 Cb 0.50 -1.81 0.00 0.00 -1.06 0.00 0.00 33.84 31.47 2d9f n VAL 82 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2d9f n GLY 83 N 5.63 1.07 3.25 7.55 0.00 -0.08 -4.52 105.19 118.09 2d9f n GLY 83 Ca 0.33 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.57 3.23 -0.19 1.61 2.12 -0.10 -4.18 118.70 120.61 2d9f s GLU 84 Ca 0.00 -0.72 -0.25 0.00 0.36 0.00 0.00 54.97 54.36 2d9f s GLU 84 Cb 0.00 -2.76 -0.01 0.00 0.26 0.00 0.00 34.13 31.62 2d9f s GLU 84 CO 0.00 -0.11 0.84 0.99 -0.54 0.00 0.00 175.26 176.44 2d9f s THR 85 N 1.17 4.86 0.00 -1.70 2.01 0.17 -3.76 115.64 118.40 2d9f s THR 85 Ca 0.01 1.64 0.03 0.00 0.31 0.00 0.00 61.69 63.69 2d9f s THR 85 Cb -0.14 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.22 2d9f s THR 85 CO -0.05 -0.00 -0.11 0.00 -0.69 0.00 0.00 174.62 173.77 2d9f s ALA 86 N 2.33 0.92 0.18 7.40 0.00 0.80 0.87 121.76 134.26 2d9f s ALA 86 Ca 0.38 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.81 2d9f s ALA 86 Cb -0.16 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 2d9f s ALA 86 CO 0.11 0.21 0.35 1.41 0.00 0.00 0.00 175.76 177.83 2d9f s MET 87 N -0.46 3.48 -0.02 0.00 -2.45 0.70 0.05 119.30 120.59 2d9f s MET 87 Ca 0.03 -0.47 -0.00 0.00 -1.25 0.00 0.00 55.69 54.00 2d9f s MET 87 Cb -0.05 -2.89 0.03 0.00 1.25 0.00 0.00 34.83 33.17 2d9f s MET 87 CO -0.00 0.45 0.03 0.14 1.05 0.00 0.00 175.02 176.69 2d9f s VAL 88 N -1.83 -0.05 -0.31 10.11 -7.23 0.88 -0.47 120.40 121.50 2d9f s VAL 88 Ca 0.37 0.24 0.01 0.00 -1.81 0.00 0.00 61.98 60.78 2d9f s VAL 88 Cb -0.11 -0.10 0.10 0.00 0.56 0.00 0.00 36.38 36.83 2d9f s VAL 88 CO 0.29 0.10 0.07 0.42 -0.31 0.00 0.00 175.10 175.67 2d9f s THR 89 N 1.20 1.33 0.39 5.32 -4.23 -1.12 -1.46 115.64 117.07 2d9f s THR 89 Ca -0.07 -1.65 0.07 0.00 -1.18 0.00 0.00 61.69 58.85 2d9f s THR 89 Cb -0.13 -1.97 -0.08 0.00 1.34 0.00 0.00 72.50 71.67 2d9f s THR 89 CO -0.03 -0.60 -0.00 0.00 -0.54 0.00 0.00 174.62 173.44 2d9f s ALA 90 N 1.39 3.03 0.62 3.99 0.00 -1.25 -2.88 121.76 126.65 2d9f s ALA 90 Ca 0.09 -2.24 -0.13 0.00 0.00 0.00 0.00 51.96 49.68 2d9f s ALA 90 Cb -0.18 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 2d9f s ALA 90 CO -0.18 -0.10 1.04 0.34 0.00 0.00 0.00 175.76 176.85 2d9f s ASP 91 N -3.66 5.96 0.41 0.00 2.15 -1.26 -3.36 116.67 116.92 2d9f s ASP 91 Ca 0.35 1.59 0.22 0.00 0.43 0.00 0.00 52.55 55.14 2d9f s ASP 91 Cb 0.08 -2.50 1.21 0.00 -0.30 0.00 0.00 42.92 41.42 2d9f s ASP 91 CO 0.17 -1.05 1.73 -1.28 -0.17 0.00 0.00 175.17 174.57 2d9f h SER 92 N -0.04 0.37 -0.99 -0.34 0.87 -1.88 0.46 113.55 112.00 2d9f h SER 92 Ca -0.45 0.10 0.24 0.00 -1.23 0.00 0.00 61.79 60.45 2d9f h SER 92 Cb 1.20 0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 63.13 2d9f h SER 92 CO 0.59 -0.00 0.65 0.07 -0.53 0.00 0.00 176.83 177.61 2d9f h LYS 93 N 0.29 0.38 0.00 2.24 2.10 -1.91 0.67 116.57 120.33 2d9f h LYS 93 Ca 0.66 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 59.24 2d9f h LYS 93 Cb 1.84 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 33.08 2d9f h LYS 93 CO -0.33 0.25 -1.29 0.66 -2.00 0.00 0.00 179.45 176.74 2d9f n TYR 94 N -4.55 0.80 0.00 0.07 4.01 0.16 -4.10 117.16 113.55 2d9f n TYR 94 Ca 0.23 0.24 0.00 0.00 -0.16 0.00 0.00 57.90 58.21 2d9f n TYR 94 Cb 0.81 -0.93 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 2d9f n TYR 94 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2d9f n TYR 96 N -1.49 0.00 0.00 0.00 4.02 0.41 -4.59 117.16 115.51 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 2.55 2.84 0.00 2.72 0.00 0.20 -4.67 105.19 108.82 2d9f n GLY 97 Ca 0.00 -2.03 0.06 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.22 0.49 -0.10 1.61 -0.04 -1.26 -2.40 135.00 132.07 2d9f n PRO 98 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 2d9f n PRO 98 Cb 0.00 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 31.96 2d9f n PRO 98 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2d9f n GLN 99 N -0.86 0.77 0.00 0.54 6.02 -1.26 -4.59 117.38 118.00 2d9f n GLN 99 Ca 0.08 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 2d9f n GLN 99 Cb 0.04 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.80 2d9f n GLN 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2d9f n GLY 100 N 1.98 -1.16 3.71 1.08 0.00 -1.01 -4.62 105.19 105.18 2d9f n GLY 100 Ca -0.36 -2.20 -0.27 0.00 0.00 0.00 0.00 46.02 43.19 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 -2.36 4.20 -0.05 1.61 0.15 -0.98 -4.67 113.70 111.59 2d9f s SER 101 Ca 0.00 -1.30 -0.06 0.00 0.70 0.00 0.00 55.95 55.29 2d9f s SER 101 Cb 0.00 -0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 64.09 2d9f s SER 101 CO 0.00 -0.61 -0.12 -1.14 1.20 0.00 0.00 173.24 172.56 2d9f n ARG 102 N -1.19 0.19 -3.39 5.44 3.00 -1.26 -3.83 116.66 115.61 2d9f n ARG 102 Ca -0.06 0.07 -0.14 0.00 -0.00 0.00 0.00 57.85 57.73 2d9f n ARG 102 Cb 0.66 -0.76 -0.09 0.00 0.00 0.00 0.00 32.46 32.27 2d9f n ARG 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2d9f s SER 103 N -5.11 1.04 0.76 6.15 0.01 -1.26 -2.60 113.70 112.69 2d9f s SER 103 Ca -0.10 -0.32 -0.11 0.00 1.31 0.00 0.00 55.95 56.73 2d9f s SER 103 Cb 0.01 0.73 0.05 0.00 0.21 0.00 0.00 66.02 67.03 2d9f s SER 103 CO 0.15 -0.35 1.09 -2.16 0.41 0.00 0.00 173.24 172.39 2d9f s PRO 104 N 2.43 2.30 0.29 12.44 0.04 -1.26 -5.16 135.00 146.08 2d9f s PRO 104 Ca 0.10 1.19 -0.02 0.00 0.04 0.00 0.00 61.00 62.31 2d9f s PRO 104 Cb -0.14 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2d9f s PRO 104 CO -0.23 -1.61 0.52 -0.47 0.04 0.00 0.00 177.00 175.24 2d9f s TYR 105 N -2.85 3.49 -0.21 0.56 6.14 -1.07 -4.63 117.35 118.77 2d9f s TYR 105 Ca 0.62 0.48 -0.22 0.00 0.64 0.00 0.00 57.07 58.59 2d9f s TYR 105 Cb -0.17 -1.98 0.06 0.00 0.42 0.00 0.00 41.96 40.28 2d9f s TYR 105 CO 0.55 0.19 0.60 0.96 0.64 0.00 0.00 175.55 178.49 2d9f s ILE 106 N -2.13 0.00 0.54 3.14 -5.25 -1.25 -4.83 121.20 111.42 2d9f s ILE 106 Ca 0.41 -0.02 -0.20 0.00 -0.99 0.00 0.00 60.65 59.86 2d9f s ILE 106 Cb -0.10 -0.85 -0.06 0.00 2.95 0.00 0.00 42.46 44.40 2d9f s ILE 106 CO 0.32 -0.01 1.13 -2.16 -1.79 0.00 0.00 174.94 172.43 2d9f s PRO 107 N 0.15 3.39 0.70 0.37 0.04 -1.26 -2.33 135.00 136.06 2d9f s PRO 107 Ca -0.01 1.62 -0.13 0.00 0.04 0.00 0.00 61.00 62.51 2d9f s PRO 107 Cb -0.04 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.49 2d9f s PRO 107 CO 0.02 -0.83 1.10 -1.25 0.04 0.00 0.00 177.00 176.08 2d9f s PRO 108 N -3.25 2.60 -0.72 0.56 0.04 -1.26 -3.28 135.00 129.69 2d9f s PRO 108 Ca 0.72 1.31 -0.02 0.00 0.04 0.00 0.00 61.00 63.05 2d9f s PRO 108 Cb -0.24 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.38 2d9f s PRO 108 CO 0.27 -1.39 0.07 0.72 0.04 0.00 0.00 177.00 176.71 2d9f n HIS 109 N -2.82 -1.66 -3.74 0.56 8.25 -1.26 -4.88 115.22 109.67 2d9f n HIS 109 Ca 0.10 0.07 -0.36 0.00 -0.26 0.00 0.00 57.72 57.27 2d9f n HIS 109 Cb 0.52 -2.12 -0.10 0.00 1.12 0.00 0.00 29.99 29.41 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 -2.45 3.44 0.99 -1.41 0.00 -1.21 -4.81 121.76 116.32 2d9f s ALA 110 Ca 0.07 -3.03 -0.16 0.00 0.00 0.00 0.00 51.96 48.83 2d9f s ALA 110 Cb -0.04 -2.58 -0.10 0.00 0.00 0.00 0.00 23.12 20.40 2d9f s ALA 110 CO 0.08 -2.01 -0.53 0.00 0.00 0.00 0.00 175.76 173.30 2d9f n ALA 111 N 3.83 -4.82 -3.71 0.00 0.00 -1.26 -4.27 120.51 110.27 2d9f n ALA 111 Ca 0.05 -0.69 -0.11 0.00 0.00 0.00 0.00 53.44 52.68 2d9f n ALA 111 Cb 0.39 -1.29 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 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 5.76 0.09 -0.13 0.00 1.43 -1.21 -3.60 118.68 121.02 2d9f s LEU 112 Ca 0.44 0.74 -0.26 0.00 -1.03 0.00 0.00 54.13 54.02 2d9f s LEU 112 Cb -0.18 1.08 -0.02 0.00 0.03 0.00 0.00 46.19 47.10 2d9f s LEU 112 CO 0.79 -0.18 0.84 0.00 0.23 0.00 0.00 176.35 178.02 2d9f s LEU 114 N 1.80 1.89 -0.40 0.00 1.43 -0.54 -2.41 118.68 120.44 2d9f s LEU 114 Ca 0.40 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 53.05 2d9f s LEU 114 Cb -0.17 -0.96 0.06 0.00 0.03 0.00 0.00 46.19 45.14 2d9f s LEU 114 CO 0.15 0.14 0.24 -0.70 0.23 0.00 0.00 176.35 176.41 2d9f s GLU 115 N 0.14 2.72 -0.13 1.70 2.12 -1.25 -0.08 118.70 123.91 2d9f s GLU 115 Ca -0.06 -1.30 -0.20 0.00 0.36 0.00 0.00 54.97 53.77 2d9f s GLU 115 Cb -0.12 -3.77 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 2d9f s GLU 115 CO 0.03 -0.85 0.59 0.08 -0.54 0.00 0.00 175.26 174.56 2d9f s VAL 116 N 1.49 5.10 -0.29 3.70 1.01 0.11 -4.04 120.40 127.47 2d9f s VAL 116 Ca 0.02 1.16 -0.02 0.00 0.00 0.00 0.00 61.98 63.14 2d9f s VAL 116 Cb -0.21 -3.92 0.09 0.00 0.00 0.00 0.00 36.38 32.34 2d9f s VAL 116 CO 0.04 0.23 0.09 -0.89 0.00 0.00 0.00 175.10 174.58 2d9f s THR 117 N 1.10 0.61 -0.43 3.92 2.01 -1.25 -0.14 115.64 121.46 2d9f s THR 117 Ca 0.30 -1.12 -0.28 0.00 0.31 0.00 0.00 61.69 60.90 2d9f s THR 117 Cb -0.16 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 2d9f s THR 117 CO 0.12 -0.61 1.85 -0.22 -0.69 0.00 0.00 174.62 175.08 2d9f s LEU 118 N 1.76 3.43 -0.09 4.42 1.98 -1.25 -2.99 118.68 125.94 2d9f s LEU 118 Ca 0.08 1.00 -0.03 0.00 -2.89 0.00 0.00 54.13 52.28 2d9f s LEU 118 Cb -0.17 -3.15 -0.01 0.00 0.66 0.00 0.00 46.19 43.52 2d9f s LEU 118 CO -0.25 -1.99 -0.06 0.11 -1.89 0.00 0.00 176.35 172.27 2d9f h LYS 119 N 13.92 0.00 -3.03 1.98 1.79 -1.72 -0.17 116.57 129.35 2d9f h LYS 119 Ca -0.31 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.06 2d9f h LYS 119 Cb 1.17 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.64 2d9f h LYS 119 CO 1.10 0.00 -0.20 0.95 -1.08 0.00 0.00 179.45 180.21 2d9f s THR 120 N -1.69 0.06 -0.16 -0.16 -4.23 -1.17 -4.47 115.64 103.82 2d9f s THR 120 Ca -0.05 -0.49 -0.01 0.00 -1.18 0.00 0.00 61.69 59.95 2d9f s THR 120 Cb 0.01 -0.79 0.04 0.00 1.34 0.00 0.00 72.50 73.10 2d9f s THR 120 CO 0.08 -0.27 -0.03 0.00 -0.54 0.00 0.00 174.62 173.86 2d9f s ALA 121 N -1.84 1.28 0.17 3.99 0.00 -1.26 -1.83 121.76 122.26 2d9f s ALA 121 Ca -0.10 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 2d9f s ALA 121 Cb -0.03 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 2d9f s ALA 121 CO 0.02 -0.82 0.09 0.14 0.00 0.00 0.00 175.76 175.19 2d9f s VAL 122 N 1.72 0.07 0.04 0.00 -7.23 -0.36 -4.98 120.40 109.67 2d9f s VAL 122 Ca 0.01 -1.95 -0.13 0.00 -1.81 0.00 0.00 61.98 58.10 2d9f s VAL 122 Cb -0.15 -2.26 -0.34 0.00 0.56 0.00 0.00 36.38 34.19 2d9f s VAL 122 CO -0.07 -0.24 1.02 -0.78 -0.31 0.00 0.00 175.10 174.71 2d9f h ASP 123 N 2.74 0.73 -3.90 4.85 1.82 -1.93 1.03 116.42 121.76 2d9f h ASP 123 Ca -0.36 -0.79 -0.46 0.00 -0.39 0.00 0.00 57.03 55.03 2d9f h ASP 123 Cb 1.22 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.97 2d9f h ASP 123 CO 0.56 1.62 0.25 0.00 -1.61 0.00 0.00 179.24 180.06 2d9f s ARG 124 N -2.61 4.19 0.40 0.28 1.70 -1.26 -4.22 118.95 117.43 2d9f s ARG 124 Ca -0.08 0.98 -0.25 0.00 -0.47 0.00 0.00 55.73 55.91 2d9f s ARG 124 Cb 0.05 -2.37 -0.08 0.00 -0.57 0.00 0.00 34.95 31.98 2d9f s ARG 124 CO 0.93 0.09 1.19 -1.25 -1.08 0.00 0.00 175.30 175.17 2d9f s PRO 125 N -2.93 4.02 -0.17 3.89 0.04 -1.26 -4.76 135.00 133.84 2d9f s PRO 125 Ca 0.57 1.88 -0.24 0.00 0.04 0.00 0.00 61.00 63.25 2d9f s PRO 125 Cb -0.11 -2.67 -0.22 0.00 0.04 0.00 0.00 34.50 31.55 2d9f s PRO 125 CO 0.16 -0.36 0.49 0.22 0.04 0.00 0.00 177.00 177.55 2d9f h ASP 126 N 2.61 0.00 -0.98 6.66 3.58 -1.96 -3.43 116.42 122.89 2d9f h ASP 126 Ca -0.49 -0.73 -0.30 0.00 0.42 0.00 0.00 57.03 55.92 2d9f h ASP 126 Cb 1.24 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.28 2d9f h ASP 126 CO 0.62 1.17 1.12 -0.11 -2.88 0.00 0.00 179.24 179.16 2d9f n LEU 127 N -4.55 1.81 -4.56 2.28 7.94 -1.26 -4.84 117.00 113.81 2d9f n LEU 127 Ca -0.18 -0.79 -0.35 0.00 -1.11 0.00 0.00 56.01 53.58 2d9f n LEU 127 Cb 0.53 -1.51 -0.04 0.00 0.53 0.00 0.00 43.42 42.93 2d9f n LEU 127 CO 0.26 -1.87 1.50 -0.70 -1.11 0.00 0.00 177.39 175.47 2d9f s GLU 128 N 8.51 3.14 -0.02 1.96 2.12 -1.26 -4.95 118.70 128.18 2d9f s GLU 128 Ca 1.01 -0.94 -0.01 0.00 0.36 0.00 0.00 54.97 55.39 2d9f s GLU 128 Cb -0.28 -5.26 -0.04 0.00 0.26 0.00 0.00 34.13 28.82 2d9f s GLU 128 CO 0.23 -2.85 0.09 1.41 -0.54 0.00 0.00 175.26 173.61 2d9f s MET 129 N 5.80 3.14 0.81 4.30 1.75 -1.26 -5.12 119.30 128.72 2d9f s MET 129 Ca 0.58 -0.43 -0.06 0.00 -1.25 0.00 0.00 55.69 54.53 2d9f s MET 129 Cb -0.02 -2.91 0.16 0.00 2.84 0.00 0.00 34.83 34.89 2d9f s MET 129 CO -0.02 0.67 1.12 -1.12 -0.65 0.00 0.00 175.02 175.02 2d9f s SER 130 N -1.63 3.88 -0.96 1.11 0.01 -1.26 -4.62 113.70 110.22 2d9f s SER 130 Ca 0.22 -0.15 -0.10 0.00 1.31 0.00 0.00 55.95 57.23 2d9f s SER 130 Cb -0.12 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 2d9f s SER 130 CO 0.13 -2.20 0.73 0.61 0.41 0.00 0.00 173.24 172.92 2d9f n GLY 131 N -3.18 -1.14 0.19 3.44 0.00 -1.26 -4.91 105.19 98.32 2d9f n GLY 131 Ca 0.15 0.50 -0.13 0.00 0.00 0.00 0.00 46.02 46.54 2d9f n GLY 131 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9f h PRO 132 N -0.88 0.58 -6.21 1.61 0.13 -2.05 -3.46 132.00 121.72 2d9f h PRO 132 Ca -0.49 -0.31 -0.52 0.00 -0.87 0.00 0.00 66.00 63.81 2d9f h PRO 132 Cb 1.28 0.01 0.24 0.00 0.13 0.00 0.00 31.00 32.66 2d9f h PRO 132 CO 0.41 0.90 -1.74 0.43 -0.23 0.00 0.00 178.00 177.76 2d9f n SER 133 N -4.37 -4.27 -3.85 1.44 7.64 -1.26 -5.00 113.62 103.95 2d9f n SER 133 Ca -0.05 0.14 -0.19 0.00 1.01 0.00 0.00 58.87 59.79 2d9f n SER 133 Cb 0.43 -0.81 -0.16 0.00 -1.01 0.00 0.00 64.21 62.66 2d9f n SER 133 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d9f s SER 134 N -1.27 0.77 0.00 6.43 0.15 -1.26 -5.21 113.70 113.30 2d9f s SER 134 Ca 0.44 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 57.01 2d9f s SER 134 Cb -0.12 -0.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.85 2d9f s SER 134 CO 0.75 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.71