#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 0.55 -0.26 1.61 1.04 -1.26 -5.14 113.70 110.24 2d9f s SER 2 Ca 0.00 -0.79 -0.10 0.00 0.48 0.00 0.00 55.95 55.54 2d9f s SER 2 Cb 0.00 0.13 -0.05 0.00 0.10 0.00 0.00 66.02 66.21 2d9f s SER 2 CO 0.00 -0.44 0.16 -0.44 0.98 0.00 0.00 173.24 173.50 2d9f s SER 3 N -2.31 5.92 0.00 7.02 0.01 -1.26 -5.02 113.70 118.06 2d9f s SER 3 Ca -0.02 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.25 2d9f s SER 3 Cb -0.00 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.15 2d9f s SER 3 CO -0.05 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2d9f n GLY 4 N 4.71 3.55 3.32 3.44 0.00 -1.26 -5.18 105.19 113.77 2d9f n GLY 4 Ca -0.15 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 2d9f n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d9f s SER 5 N 0.00 -0.24 -0.53 1.61 1.04 -1.26 -5.12 113.70 109.19 2d9f s SER 5 Ca 0.00 -0.29 0.04 0.00 0.48 0.00 0.00 55.95 56.18 2d9f s SER 5 Cb 0.00 0.47 0.13 0.00 0.10 0.00 0.00 66.02 66.72 2d9f s SER 5 CO 0.00 -0.84 0.28 -0.55 0.98 0.00 0.00 173.24 173.11 2d9f s SER 6 N -2.74 4.34 0.00 7.02 0.15 -1.26 -4.96 113.70 116.25 2d9f s SER 6 Ca 0.02 -3.08 0.00 0.00 0.70 0.00 0.00 55.95 53.59 2d9f s SER 6 Cb 0.02 -1.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 2d9f s SER 6 CO -0.11 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.72 2d9f n GLY 7 N 3.02 0.69 3.82 9.45 0.00 -1.26 -4.91 105.19 116.00 2d9f n GLY 7 Ca 0.06 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 2d9f n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2d9f n GLU 8 N 0.00 -6.29 -0.23 1.61 4.07 -1.26 -4.87 120.64 113.67 2d9f n GLU 8 Ca 0.00 0.67 -0.03 0.00 -0.06 0.00 0.00 57.16 57.73 2d9f n GLU 8 Cb 0.00 -5.61 0.07 0.00 -0.06 0.00 0.00 31.44 25.84 2d9f n GLU 8 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 2d9f h GLU 9 N -2.28 0.76 -7.60 5.31 4.11 -2.02 -3.43 114.58 109.43 2d9f h GLU 9 Ca -0.58 -0.05 -0.43 0.00 0.07 0.00 0.00 59.36 58.37 2d9f h GLU 9 Cb 1.37 -0.17 0.17 0.00 0.50 0.00 0.00 28.75 30.63 2d9f h GLU 9 CO 0.64 0.50 0.28 -1.58 0.07 0.00 0.00 179.01 178.92 2d9f s TRP 10 N -6.12 1.14 -0.12 2.06 0.52 -1.26 -5.06 118.94 110.11 2d9f s TRP 10 Ca -0.13 0.43 -0.02 0.00 0.02 0.00 0.00 56.10 56.40 2d9f s TRP 10 Cb 0.15 -3.76 -0.03 0.00 -1.15 0.00 0.00 33.47 28.68 2d9f s TRP 10 CO 0.76 -3.20 -0.02 -1.17 0.02 0.00 0.00 176.95 173.34 2d9f s LEU 11 N -6.39 3.40 -0.56 2.99 0.20 -0.82 -4.94 118.68 112.56 2d9f s LEU 11 Ca 0.72 0.01 -0.19 0.00 0.69 0.00 0.00 54.13 55.36 2d9f s LEU 11 Cb -0.07 -1.79 0.08 0.00 -0.43 0.00 0.00 46.19 43.98 2d9f s LEU 11 CO 0.54 0.28 0.68 1.51 -0.29 0.00 0.00 176.35 179.08 2d9f s ASP 12 N -0.32 6.20 0.13 3.68 -4.77 -1.26 -1.26 116.67 119.07 2d9f s ASP 12 Ca 0.06 -1.22 -0.12 0.00 -3.30 0.00 0.00 52.55 47.97 2d9f s ASP 12 Cb -0.12 -2.30 -0.07 0.00 -1.09 0.00 0.00 42.92 39.34 2d9f s ASP 12 CO 0.02 -1.04 1.44 0.40 0.70 0.00 0.00 175.17 176.69 2d9f h ILE 13 N 5.90 1.28 0.00 2.11 2.04 -1.86 -3.30 117.51 123.69 2d9f h ILE 13 Ca -0.29 -1.58 -0.33 0.00 1.00 0.00 0.00 64.86 63.66 2d9f h ILE 13 Cb 1.09 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 38.60 2d9f h ILE 13 CO 1.05 0.52 -2.08 0.18 0.00 0.00 0.00 178.15 177.83 2d9f n LEU 14 N -4.09 0.41 0.00 1.44 4.77 -1.25 -5.00 117.00 113.27 2d9f n LEU 14 Ca -0.03 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2d9f n LEU 14 Cb 0.55 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 2d9f n LEU 14 CO 0.48 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 2d9f n GLY 15 N 1.66 2.43 0.32 -0.72 0.00 -1.24 -4.92 105.19 102.71 2d9f n GLY 15 Ca -0.26 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 2d9f n GLY 15 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2d9f h ASN 16 N 0.67 -0.66 0.00 1.61 2.35 -1.92 -3.48 115.58 114.15 2d9f h ASN 16 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2d9f h ASN 16 Cb 0.00 0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2d9f h ASN 16 CO 0.00 -0.47 0.00 0.61 -1.65 0.00 0.00 177.43 175.92 2d9f n GLY 17 N -1.42 0.52 0.02 2.83 0.00 -1.26 -5.05 105.19 100.82 2d9f n GLY 17 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.04 -8.81 0.99 -0.00 -1.92 -3.43 115.31 102.11 2d9f h LEU 18 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.31 2d9f h LEU 18 Cb 0.00 0.01 -0.07 0.00 -0.00 0.00 0.00 40.66 40.60 2d9f h LEU 18 CO 0.00 0.00 0.88 -0.22 -0.00 0.00 0.00 178.44 179.10 2d9f s LEU 19 N -4.46 3.76 0.39 1.67 2.96 -1.25 -3.70 118.68 118.05 2d9f s LEU 19 Ca -0.01 0.68 0.07 0.00 -0.22 0.00 0.00 54.13 54.65 2d9f s LEU 19 Cb 0.00 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 43.08 2d9f s LEU 19 CO 0.02 -1.10 -0.01 -0.13 -1.32 0.00 0.00 176.35 173.81 2d9f s ARG 20 N 4.12 1.89 -0.01 1.98 0.52 -0.92 -2.72 118.95 123.81 2d9f s ARG 20 Ca 0.46 -2.05 0.01 0.00 -0.52 0.00 0.00 55.73 53.64 2d9f s ARG 20 Cb -0.09 -1.57 0.00 0.00 0.52 0.00 0.00 34.95 33.81 2d9f s ARG 20 CO 0.25 -0.02 -0.03 0.21 0.02 0.00 0.00 175.30 175.73 2d9f s LYS 21 N -3.71 0.30 -0.22 3.54 2.20 -0.39 -2.48 119.74 118.98 2d9f s LYS 21 Ca 0.34 -0.09 -0.04 0.00 -0.36 0.00 0.00 55.97 55.82 2d9f s LYS 21 Cb 0.08 -0.32 0.08 0.00 -1.51 0.00 0.00 37.83 36.15 2d9f s LYS 21 CO 0.17 0.04 0.09 0.21 -0.36 0.00 0.00 175.35 175.50 2d9f s LYS 22 N 0.12 0.31 -0.32 4.03 2.20 0.19 -1.94 119.74 124.33 2d9f s LYS 22 Ca -0.01 -0.40 -0.28 0.00 -0.36 0.00 0.00 55.97 54.93 2d9f s LYS 22 Cb -0.04 -1.73 -0.05 0.00 -1.51 0.00 0.00 37.83 34.51 2d9f s LYS 22 CO -0.00 -0.80 2.17 0.99 -0.36 0.00 0.00 175.35 177.35 2d9f s THR 23 N 2.00 3.11 -0.02 3.43 2.01 -1.26 -0.28 115.64 124.64 2d9f s THR 23 Ca 0.04 0.11 -0.20 0.00 0.31 0.00 0.00 61.69 61.95 2d9f s THR 23 Cb -0.16 -3.18 -0.30 0.00 0.01 0.00 0.00 72.50 68.86 2d9f s THR 23 CO -0.18 -0.13 0.97 -0.07 -0.69 0.00 0.00 174.62 174.52 2d9f h LEU 24 N 15.94 0.58 -6.71 4.42 3.38 -0.50 -3.45 115.31 128.97 2d9f h LEU 24 Ca -0.35 -0.90 -0.31 0.00 0.09 0.00 0.00 57.88 56.42 2d9f h LEU 24 Cb 1.23 -0.19 -0.35 0.00 0.09 0.00 0.00 40.66 41.44 2d9f h LEU 24 CO 1.03 1.42 -0.61 -0.69 0.09 0.00 0.00 178.44 179.68 2d9f s VAL 25 N -2.68 -0.36 0.56 1.22 1.01 0.68 -4.98 120.40 115.85 2d9f s VAL 25 Ca -0.12 -0.17 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 2d9f s VAL 25 Cb 0.02 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 2d9f s VAL 25 CO 0.86 -0.24 1.13 -2.16 0.00 0.00 0.00 175.10 174.69 2d9f s PRO 26 N 2.35 3.29 0.49 2.72 0.04 -1.26 0.57 135.00 143.20 2d9f s PRO 26 Ca 0.08 1.59 0.03 0.00 0.04 0.00 0.00 61.00 62.73 2d9f s PRO 26 Cb -0.16 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.48 2d9f s PRO 26 CO -0.15 -0.89 0.68 0.41 0.04 0.00 0.00 177.00 177.08 2d9f n GLY 27 N 0.08 1.18 3.72 0.56 0.00 -1.26 -4.83 105.19 104.64 2d9f n GLY 27 Ca 0.11 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 2d9f n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d9f s PRO 28 N -4.22 1.33 0.00 1.61 0.04 -1.26 -4.92 135.00 127.58 2d9f s PRO 28 Ca 0.47 0.85 0.15 0.00 0.04 0.00 0.00 61.00 62.51 2d9f s PRO 28 Cb -0.03 -1.81 0.69 0.00 0.04 0.00 0.00 34.50 33.39 2d9f s PRO 28 CO 0.31 -2.20 1.43 -0.35 0.04 0.00 0.00 177.00 176.23 2d9f n PRO 29 N -3.86 0.13 0.02 0.56 -0.04 -1.26 -2.57 135.00 127.98 2d9f n PRO 29 Ca 0.07 0.19 -0.06 0.00 -0.04 0.00 0.00 63.50 63.66 2d9f n PRO 29 Cb 0.55 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.39 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 2.45 0.00 -0.91 0.55 0.00 -1.98 -3.47 103.07 99.71 2d9f h GLY 30 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 2d9f h GLY 30 CO 0.00 0.00 0.14 -1.35 0.00 0.00 0.00 176.54 175.33 2d9f s SER 31 N -6.29 1.83 -0.02 0.19 1.04 -1.06 -5.08 113.70 104.32 2d9f s SER 31 Ca -0.02 1.10 -0.30 0.00 0.48 0.00 0.00 55.95 57.21 2d9f s SER 31 Cb 0.09 -1.70 0.10 0.00 0.10 0.00 0.00 66.02 64.61 2d9f s SER 31 CO 0.82 -3.61 1.02 -0.55 0.98 0.00 0.00 173.24 171.90 2d9f s SER 32 N -3.38 -0.24 0.29 7.02 0.15 -1.26 -4.89 113.70 111.39 2d9f s SER 32 Ca 0.67 -0.10 -0.30 0.00 0.70 0.00 0.00 55.95 56.93 2d9f s SER 32 Cb -0.18 0.32 -0.11 0.00 -1.71 0.00 0.00 66.02 64.35 2d9f s SER 32 CO 0.58 -0.55 1.52 -0.13 1.20 0.00 0.00 173.24 175.86 2d9f s ARG 33 N -2.91 4.18 0.00 5.44 0.52 -1.26 -2.77 118.95 122.15 2d9f s ARG 33 Ca 0.09 2.47 0.00 0.00 -0.52 0.00 0.00 55.73 57.76 2d9f s ARG 33 Cb -0.00 -3.05 0.00 0.00 0.52 0.00 0.00 34.95 32.42 2d9f s ARG 33 CO -0.05 -0.53 0.00 -0.35 0.02 0.00 0.00 175.30 174.39 2d9f n PRO 34 N 1.99 -0.39 -4.32 3.54 -0.04 -1.26 -4.98 135.00 129.53 2d9f n PRO 34 Ca 0.07 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.28 2d9f n PRO 34 Cb 0.39 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.76 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 -0.69 3.22 -0.33 0.52 0.11 -1.26 -5.00 120.40 116.96 2d9f s VAL 35 Ca 0.00 -1.92 -0.22 0.00 -2.93 0.00 0.00 61.98 56.92 2d9f s VAL 35 Cb 0.00 -2.68 0.00 0.00 -1.53 0.00 0.00 36.38 32.17 2d9f s VAL 35 CO 0.00 -0.30 0.70 -0.75 -3.33 0.00 0.00 175.10 171.42 2d9f s LYS 36 N -3.40 3.81 0.00 1.54 2.20 -1.26 -3.87 119.74 118.76 2d9f s LYS 36 Ca 0.29 0.29 0.00 0.00 -0.36 0.00 0.00 55.97 56.19 2d9f s LYS 36 Cb -0.07 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.48 2d9f s LYS 36 CO 0.18 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 2d9f n GLY 37 N 4.48 1.47 3.69 5.54 0.00 0.59 -4.93 105.19 116.03 2d9f n GLY 37 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.05 2.16 -0.48 1.61 -0.21 -1.25 -4.84 119.66 116.59 2d9f s GLN 38 Ca 0.00 -1.83 -0.27 0.00 0.02 0.00 0.00 55.36 53.28 2d9f s GLN 38 Cb 0.00 -1.93 0.03 0.00 1.00 0.00 0.00 33.01 32.11 2d9f s GLN 38 CO 0.00 -0.01 1.05 0.08 -2.12 0.00 0.00 175.29 174.29 2d9f s VAL 39 N -2.58 4.30 -0.17 1.09 1.01 0.18 -2.69 120.40 121.54 2d9f s VAL 39 Ca 0.38 0.96 -0.05 0.00 0.00 0.00 0.00 61.98 63.27 2d9f s VAL 39 Cb 0.03 -4.55 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 2d9f s VAL 39 CO 0.21 -0.98 0.01 0.68 0.00 0.00 0.00 175.10 175.01 2d9f s VAL 40 N 4.21 4.23 -0.24 2.92 -7.23 -0.94 -1.71 120.40 121.63 2d9f s VAL 40 Ca 0.42 -0.23 -0.05 0.00 -1.81 0.00 0.00 61.98 60.32 2d9f s VAL 40 Cb -0.08 -2.89 -0.01 0.00 0.56 0.00 0.00 36.38 33.96 2d9f s VAL 40 CO 0.29 0.47 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.65 2d9f s THR 41 N 0.50 3.57 0.37 5.32 2.01 -0.82 -2.88 115.64 123.72 2d9f s THR 41 Ca -0.01 -0.52 0.06 0.00 0.31 0.00 0.00 61.69 61.53 2d9f s THR 41 Cb -0.14 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 2d9f s THR 41 CO 0.02 0.33 0.23 0.68 -0.69 0.00 0.00 174.62 175.19 2d9f s VAL 42 N 1.49 0.21 -0.34 3.82 -7.23 0.22 -2.04 120.40 116.54 2d9f s VAL 42 Ca 0.05 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.25 2d9f s VAL 42 Cb -0.15 -2.41 0.10 0.00 0.56 0.00 0.00 36.38 34.48 2d9f s VAL 42 CO -0.01 0.00 0.05 -2.28 -0.31 0.00 0.00 175.10 172.55 2d9f s HIS 43 N -3.32 3.69 -0.14 2.82 2.46 -1.14 -0.87 115.29 118.79 2d9f s HIS 43 Ca 0.33 -2.86 -0.07 0.00 0.47 0.00 0.00 55.06 52.93 2d9f s HIS 43 Cb 0.02 -2.85 -0.04 0.00 -0.13 0.00 0.00 32.58 29.58 2d9f s HIS 43 CO 0.23 -0.94 0.10 -1.17 -2.47 0.00 0.00 174.74 170.49 2d9f s LEU 44 N 0.95 4.13 -0.18 8.88 1.98 -0.99 -3.78 118.68 129.67 2d9f s LEU 44 Ca 0.08 0.30 -0.02 0.00 -2.89 0.00 0.00 54.13 51.61 2d9f s LEU 44 Cb -0.20 -2.02 0.05 0.00 0.66 0.00 0.00 46.19 44.69 2d9f s LEU 44 CO -0.07 0.32 0.02 -1.10 -1.89 0.00 0.00 176.35 173.63 2d9f s GLN 45 N -0.48 0.75 -0.06 1.98 -0.21 -1.25 -1.68 119.66 118.70 2d9f s GLN 45 Ca 0.11 -0.38 -0.24 0.00 0.02 0.00 0.00 55.36 54.87 2d9f s GLN 45 Cb -0.12 -1.98 -0.04 0.00 1.00 0.00 0.00 33.01 31.88 2d9f s GLN 45 CO 0.02 -0.58 0.72 0.99 -2.12 0.00 0.00 175.29 174.32 2d9f s THR 46 N 1.84 5.03 -0.13 -0.19 2.01 -0.46 -3.60 115.64 120.14 2d9f s THR 46 Ca -0.00 1.49 -0.07 0.00 0.31 0.00 0.00 61.69 63.41 2d9f s THR 46 Cb -0.16 -4.06 0.05 0.00 0.01 0.00 0.00 72.50 68.34 2d9f s THR 46 CO -0.07 0.25 0.31 -0.44 -0.69 0.00 0.00 174.62 173.98 2d9f s SER 47 N 0.80 -0.37 0.93 3.53 0.01 -1.08 -1.17 113.70 116.36 2d9f s SER 47 Ca 0.39 0.67 -0.13 0.00 1.31 0.00 0.00 55.95 58.19 2d9f s SER 47 Cb -0.18 0.56 0.02 0.00 0.21 0.00 0.00 66.02 66.64 2d9f s SER 47 CO 0.19 -0.17 0.38 0.18 0.41 0.00 0.00 173.24 174.23 2d9f n LEU 48 N 4.14 -0.29 0.27 2.44 7.99 -0.27 -1.00 117.00 130.28 2d9f n LEU 48 Ca -0.24 0.35 0.13 0.00 -0.01 0.00 0.00 56.01 56.24 2d9f n LEU 48 Cb 0.54 -1.20 0.73 0.00 -0.11 0.00 0.00 43.42 43.39 2d9f n LEU 48 CO 0.12 -3.66 0.98 -0.08 -1.51 0.00 0.00 177.39 173.25 2d9f h GLU 49 N -1.43 0.00 0.17 3.23 4.57 -1.92 -2.62 114.58 116.59 2d9f h GLU 49 Ca -0.44 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.43 2d9f h GLU 49 Cb 1.29 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.91 2d9f h GLU 49 CO 0.35 0.11 -1.34 -2.95 -1.18 0.00 0.00 179.01 174.00 2d9f h ASN 50 N 0.00 0.86 0.00 1.04 7.08 -1.93 -3.48 115.58 119.15 2d9f h ASN 50 Ca -0.00 -0.84 0.00 0.00 -3.08 0.00 0.00 56.30 52.38 2d9f h ASN 50 Cb 0.32 -0.27 0.00 0.00 -2.08 0.00 0.00 38.32 36.29 2d9f h ASN 50 CO 0.01 1.64 0.00 0.61 -2.08 0.00 0.00 177.43 177.62 2d9f n GLY 51 N 1.50 0.35 3.03 9.14 0.00 -0.99 -5.13 105.19 113.10 2d9f n GLY 51 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.67 2.31 0.04 2.61 2.01 -1.25 -4.90 115.64 115.79 2d9f s THR 52 Ca 0.00 -2.30 -0.30 0.00 0.31 0.00 0.00 61.69 59.40 2d9f s THR 52 Cb 0.00 -2.68 -0.09 0.00 0.01 0.00 0.00 72.50 69.74 2d9f s THR 52 CO 0.00 -0.57 1.97 -0.13 -0.69 0.00 0.00 174.62 175.20 2d9f s ARG 53 N 0.92 4.14 -0.16 4.92 0.52 -1.26 -1.12 118.95 126.91 2d9f s ARG 53 Ca 0.10 2.62 -0.13 0.00 -0.52 0.00 0.00 55.73 57.79 2d9f s ARG 53 Cb -0.19 -4.15 -0.23 0.00 0.52 0.00 0.00 34.95 30.91 2d9f s ARG 53 CO -0.08 -0.95 0.28 0.28 0.02 0.00 0.00 175.30 174.85 2d9f n VAL 54 N 5.53 1.67 -3.81 3.52 0.31 -0.32 -4.94 118.33 120.29 2d9f n VAL 54 Ca 0.20 -0.37 -0.12 0.00 -0.01 0.00 0.00 64.34 64.03 2d9f n VAL 54 Cb 0.41 -1.87 -0.09 0.00 -0.91 0.00 0.00 33.84 31.37 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 -2.47 0.56 -0.20 5.55 -2.07 -1.15 -4.89 119.66 114.99 2d9f s GLN 55 Ca -0.26 -0.23 -0.03 0.00 -1.82 0.00 0.00 55.36 53.03 2d9f s GLN 55 Cb 0.07 0.24 0.06 0.00 -1.09 0.00 0.00 33.01 32.29 2d9f s GLN 55 CO 0.68 -0.14 0.03 -2.00 -1.32 0.00 0.00 175.29 172.54 2d9f s GLU 56 N -1.22 0.71 -0.38 9.60 2.12 -1.26 -1.35 118.70 126.91 2d9f s GLU 56 Ca -0.13 -0.47 -0.03 0.00 0.36 0.00 0.00 54.97 54.70 2d9f s GLU 56 Cb -0.06 -2.14 0.09 0.00 0.26 0.00 0.00 34.13 32.28 2d9f s GLU 56 CO 0.03 -0.65 0.15 -2.00 -0.54 0.00 0.00 175.26 172.26 2d9f s GLU 57 N 1.83 2.12 -0.02 4.30 2.56 -0.68 -4.97 118.70 123.83 2d9f s GLU 57 Ca -0.01 -1.67 -0.26 0.00 0.00 0.00 0.00 54.97 53.03 2d9f s GLU 57 Cb -0.17 -3.49 -0.20 0.00 2.00 0.00 0.00 34.13 32.27 2d9f s GLU 57 CO -0.08 -0.95 1.27 -1.00 -0.56 0.00 0.00 175.26 173.93 2d9f h PRO 58 N 8.04 0.00 -2.99 4.30 0.13 -1.88 -2.63 132.00 136.98 2d9f h PRO 58 Ca -0.15 -0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.26 2d9f h PRO 58 Cb 1.05 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.84 2d9f h PRO 58 CO 0.66 0.49 0.09 -1.91 -0.23 0.00 0.00 178.00 177.10 2d9f n GLU 59 N -4.85 3.20 -3.02 0.86 2.13 -1.26 -4.15 120.64 113.54 2d9f n GLU 59 Ca -0.08 -4.54 -0.41 0.00 0.66 0.00 0.00 57.16 52.79 2d9f n GLU 59 Cb 0.25 -2.42 -0.05 0.00 0.27 0.00 0.00 31.44 29.49 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 -2.00 4.17 0.06 4.31 1.98 -0.05 -4.95 118.68 122.21 2d9f s LEU 60 Ca 0.31 1.00 0.06 0.00 -2.89 0.00 0.00 54.13 52.62 2d9f s LEU 60 Cb 0.01 -3.04 -0.03 0.00 0.66 0.00 0.00 46.19 43.78 2d9f s LEU 60 CO -0.04 -0.31 -0.17 0.54 -1.89 0.00 0.00 176.35 174.48 2d9f s VAL 61 N 1.90 1.39 0.18 1.68 0.11 -1.26 -0.61 120.40 123.80 2d9f s VAL 61 Ca 0.33 -1.21 -0.23 0.00 -2.93 0.00 0.00 61.98 57.94 2d9f s VAL 61 Cb -0.16 -1.25 0.07 0.00 -1.53 0.00 0.00 36.38 33.51 2d9f s VAL 61 CO 0.12 0.01 0.99 0.72 -3.33 0.00 0.00 175.10 173.62 2d9f s PHE 62 N -0.96 -0.01 -0.47 1.54 -0.12 -1.14 -5.01 117.98 111.81 2d9f s PHE 62 Ca 0.04 -0.36 -0.10 0.00 -0.05 0.00 0.00 56.93 56.46 2d9f s PHE 62 Cb -0.09 0.68 0.11 0.00 -0.63 0.00 0.00 43.02 43.10 2d9f s PHE 62 CO 0.02 -0.92 0.35 0.99 -0.05 0.00 0.00 175.22 175.61 2d9f s THR 63 N -2.66 4.31 0.10 -4.49 2.01 -1.26 -2.22 115.64 111.43 2d9f s THR 63 Ca 0.17 -1.69 -0.36 0.00 0.31 0.00 0.00 61.69 60.12 2d9f s THR 63 Cb -0.02 -3.80 -0.16 0.00 0.01 0.00 0.00 72.50 68.53 2d9f s THR 63 CO 0.04 -0.74 1.35 -0.11 -0.69 0.00 0.00 174.62 174.48 2d9f n LEU 64 N 4.94 1.77 0.00 4.42 7.94 -1.09 -1.69 117.00 133.28 2d9f n LEU 64 Ca -0.09 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.93 2d9f n LEU 64 Cb 0.41 -1.21 0.00 0.00 0.53 0.00 0.00 43.42 43.15 2d9f n LEU 64 CO 0.43 -0.99 0.00 0.61 -1.11 0.00 0.00 177.39 176.33 2d9f n GLY 65 N 2.56 2.04 0.06 -3.96 0.00 -1.26 -0.30 105.19 104.33 2d9f n GLY 65 Ca 0.18 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 0.12 0.48 -3.77 1.61 -0.08 -0.68 -4.95 116.55 109.27 2d9f n ASP 66 Ca 0.00 -0.27 -0.23 0.00 -1.51 0.00 0.00 54.79 52.79 2d9f n ASP 66 Cb 0.00 0.03 0.02 0.00 2.34 0.00 0.00 41.12 43.50 2d9f n ASP 66 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2d9f n ASP 68 N -3.03 0.72 -4.44 0.00 8.00 -1.26 -4.86 116.55 111.68 2d9f n ASP 68 Ca -0.29 0.57 -0.25 0.00 0.71 0.00 0.00 54.79 55.53 2d9f n ASP 68 Cb 0.68 -0.76 -0.02 0.00 -0.02 0.00 0.00 41.12 40.99 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 -2.18 0.00 -1.52 2.53 0.24 -1.26 -5.08 118.33 111.07 2d9f n VAL 69 Ca 0.06 -1.98 -0.41 0.00 -2.04 0.00 0.00 64.34 59.97 2d9f n VAL 69 Cb 0.42 0.09 0.02 0.00 -1.47 0.00 0.00 33.84 32.89 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 -1.46 2.20 0.34 1.34 2.08 -1.26 -4.70 119.36 117.90 2d9f n ILE 70 Ca -0.07 -0.50 0.11 0.00 0.56 0.00 0.00 62.75 62.84 2d9f n ILE 70 Cb 0.55 -0.80 0.47 0.00 -0.75 0.00 0.00 39.64 39.12 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 0.25 0.15 0.02 0.38 6.02 -1.02 -1.50 117.38 121.68 2d9f n GLN 71 Ca 0.11 0.45 0.11 0.00 -0.01 0.00 0.00 57.00 57.67 2d9f n GLN 71 Cb 0.41 -1.83 0.07 0.00 1.02 0.00 0.00 30.24 29.91 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 -1.73 3.60 -0.13 -1.58 0.00 -1.26 -3.29 120.51 116.12 2d9f n ALA 72 Ca 0.01 -0.41 -0.21 0.00 0.00 0.00 0.00 53.44 52.84 2d9f n ALA 72 Cb 0.17 -0.99 -0.12 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.79 2.76 0.10 0.00 7.94 -0.57 -3.98 117.00 121.46 2d9f n LEU 73 Ca 0.03 -0.03 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 2d9f n LEU 73 Cb 0.40 -0.90 0.14 0.00 0.53 0.00 0.00 43.42 43.59 2d9f n LEU 73 CO 0.39 0.86 0.49 -0.78 -1.11 0.00 0.00 177.39 177.24 2d9f h ASP 74 N -0.20 0.18 0.00 1.96 3.58 -1.45 0.28 116.42 120.76 2d9f h ASP 74 Ca -0.60 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 56.75 2d9f h ASP 74 Cb 1.84 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.84 2d9f h ASP 74 CO -0.15 0.74 -0.00 0.18 -2.88 0.00 0.00 179.24 177.12 2d9f n LEU 75 N -3.86 0.51 -0.01 2.28 4.32 -1.21 -3.73 117.00 115.30 2d9f n LEU 75 Ca -0.02 -0.17 -0.01 0.00 -0.02 0.00 0.00 56.01 55.79 2d9f n LEU 75 Cb 0.61 -0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.39 2d9f n LEU 75 CO 0.43 0.08 -0.57 -1.54 -1.22 0.00 0.00 177.39 174.58 2d9f n SER 76 N -0.61 4.35 0.01 -1.43 3.41 -1.02 -4.63 113.62 113.71 2d9f n SER 76 Ca 0.22 -0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.71 2d9f n SER 76 Cb 0.19 0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.17 0.00 -3.33 2.07 -0.54 0.20 116.25 114.82 2d9f h VAL 77 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2d9f h VAL 77 Cb 1.11 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 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 -5.44 0.49 -0.01 1.57 -0.04 -1.26 -2.01 135.00 128.31 2d9f n PRO 78 Ca -0.04 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.48 2d9f n PRO 78 Cb 0.36 -1.35 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.00 -4.81 1.53 4.77 0.58 -4.81 117.00 113.42 2d9f n LEU 79 Ca 0.08 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.76 2d9f n LEU 79 Cb 0.04 0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 2d9f n LEU 79 CO 0.06 0.03 -0.24 0.00 -1.33 0.00 0.00 177.39 175.91 2d9f s MET 80 N -2.92 3.00 0.70 3.23 0.23 -0.35 -5.00 119.30 118.18 2d9f s MET 80 Ca -0.05 -0.65 -0.10 0.00 -1.03 0.00 0.00 55.69 53.86 2d9f s MET 80 Cb 0.09 -2.79 0.03 0.00 -1.53 0.00 0.00 34.83 30.63 2d9f s MET 80 CO 0.58 0.57 1.06 -0.51 -2.03 0.00 0.00 175.02 174.69 2d9f s ASP 81 N -2.47 5.18 -0.44 -1.18 1.01 -1.26 -4.47 116.67 113.04 2d9f s ASP 81 Ca 0.31 0.87 -0.29 0.00 0.71 0.00 0.00 52.55 54.15 2d9f s ASP 81 Cb -0.12 -1.62 0.02 0.00 1.01 0.00 0.00 42.92 42.20 2d9f s ASP 81 CO 0.23 -1.44 1.34 0.54 0.21 0.00 0.00 175.17 176.05 2d9f s VAL 82 N -3.31 3.98 0.00 -1.27 0.11 -1.11 -2.78 120.40 116.01 2d9f s VAL 82 Ca 0.58 0.98 0.00 0.00 -2.93 0.00 0.00 61.98 60.62 2d9f s VAL 82 Cb -0.11 -4.33 0.00 0.00 -1.53 0.00 0.00 36.38 30.41 2d9f s VAL 82 CO 0.49 -0.86 0.00 0.61 -3.33 0.00 0.00 175.10 172.01 2d9f n GLY 83 N 5.04 0.91 3.45 6.54 0.00 0.11 -4.60 105.19 116.64 2d9f n GLY 83 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.50 3.62 -0.32 1.61 2.12 -1.12 -4.18 118.70 119.94 2d9f s GLU 84 Ca 0.00 -0.53 -0.23 0.00 0.36 0.00 0.00 54.97 54.57 2d9f s GLU 84 Cb 0.00 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.36 2d9f s GLU 84 CO 0.00 0.06 0.77 0.99 -0.54 0.00 0.00 175.26 176.54 2d9f s THR 85 N 0.85 4.80 0.02 -1.70 2.01 0.19 -3.75 115.64 118.07 2d9f s THR 85 Ca 0.00 1.08 0.06 0.00 0.31 0.00 0.00 61.69 63.14 2d9f s THR 85 Cb -0.14 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.20 2d9f s THR 85 CO 0.02 -0.28 -0.17 0.00 -0.69 0.00 0.00 174.62 173.50 2d9f s ALA 86 N 2.94 1.47 0.13 7.40 0.00 -0.54 0.28 121.76 133.44 2d9f s ALA 86 Ca 0.31 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.41 2d9f s ALA 86 Cb -0.14 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2d9f s ALA 86 CO 0.13 0.33 0.27 1.41 0.00 0.00 0.00 175.76 177.90 2d9f s MET 87 N -0.92 3.44 -0.03 0.00 -2.45 0.61 -1.10 119.30 118.85 2d9f s MET 87 Ca 0.05 -0.56 -0.00 0.00 -1.25 0.00 0.00 55.69 53.93 2d9f s MET 87 Cb -0.08 -2.98 0.03 0.00 1.25 0.00 0.00 34.83 33.05 2d9f s MET 87 CO 0.01 0.54 0.02 0.14 1.05 0.00 0.00 175.02 176.78 2d9f s VAL 88 N -1.69 0.06 -0.30 10.11 -7.23 0.17 -0.64 120.40 120.88 2d9f s VAL 88 Ca 0.35 0.17 0.01 0.00 -1.81 0.00 0.00 61.98 60.70 2d9f s VAL 88 Cb -0.11 -0.19 0.09 0.00 0.56 0.00 0.00 36.38 36.73 2d9f s VAL 88 CO 0.28 0.13 0.05 0.42 -0.31 0.00 0.00 175.10 175.67 2d9f s THR 89 N 1.16 1.44 0.19 5.32 -4.23 -1.04 -1.88 115.64 116.60 2d9f s THR 89 Ca -0.08 -1.63 0.10 0.00 -1.18 0.00 0.00 61.69 58.90 2d9f s THR 89 Cb -0.13 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 2d9f s THR 89 CO -0.02 -0.52 -0.22 0.00 -0.54 0.00 0.00 174.62 173.32 2d9f s ALA 90 N 1.36 2.35 0.70 3.99 0.00 -1.24 -2.16 121.76 126.74 2d9f s ALA 90 Ca 0.07 -1.59 -0.16 0.00 0.00 0.00 0.00 51.96 50.27 2d9f s ALA 90 Cb -0.18 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.69 2d9f s ALA 90 CO -0.15 0.35 1.25 0.34 0.00 0.00 0.00 175.76 177.55 2d9f s ASP 91 N -2.70 4.29 0.56 0.00 2.15 -1.26 -3.73 116.67 115.98 2d9f s ASP 91 Ca 0.19 2.50 0.39 0.00 0.43 0.00 0.00 52.55 56.06 2d9f s ASP 91 Cb -0.07 -2.61 1.53 0.00 -0.30 0.00 0.00 42.92 41.48 2d9f s ASP 91 CO 0.09 -2.21 1.69 -1.28 -0.17 0.00 0.00 175.17 173.29 2d9f h SER 92 N 0.04 0.00 -0.99 -0.34 0.87 -1.86 0.59 113.55 111.86 2d9f h SER 92 Ca -0.49 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.15 2d9f h SER 92 Cb 1.32 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.21 2d9f h SER 92 CO 0.51 0.00 0.64 0.07 -0.53 0.00 0.00 176.83 177.51 2d9f h LYS 93 N 0.00 1.07 0.00 2.24 2.10 -1.88 0.93 116.57 121.04 2d9f h LYS 93 Ca 0.63 -0.06 -0.10 0.00 -2.00 0.00 0.00 60.65 59.11 2d9f h LYS 93 Cb 2.68 -0.24 -0.02 0.00 -0.90 0.00 0.00 32.23 33.75 2d9f h LYS 93 CO -0.01 0.71 -0.94 1.88 -2.00 0.00 0.00 179.45 179.10 2d9f h TYR 94 N 1.11 0.00 0.00 0.07 0.05 -0.13 -3.33 116.97 114.74 2d9f h TYR 94 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.22 2d9f h TYR 94 Cb 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 2d9f h TYR 94 CO -0.00 0.40 0.00 0.00 -1.05 0.00 0.00 178.16 177.51 2d9f n TYR 96 N -1.45 0.00 0.00 0.00 4.02 0.21 -4.58 117.16 115.35 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 3.37 4.05 0.00 2.72 0.00 0.30 -4.78 105.19 110.84 2d9f n GLY 97 Ca 0.00 -1.65 0.08 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.69 0.47 -0.08 1.61 -0.04 -1.26 -2.28 135.00 131.73 2d9f n PRO 98 Ca 0.00 0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 63.40 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 -1.03 0.68 0.00 0.54 10.64 -1.26 -4.50 117.38 122.45 2d9f n GLN 99 Ca 0.11 0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.30 2d9f n GLN 99 Cb 0.06 -1.56 0.00 0.00 -0.86 0.00 0.00 30.24 27.88 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 1.68 -1.01 3.37 2.61 0.00 -0.97 -4.68 105.19 106.20 2d9f n GLY 100 Ca -0.28 -2.22 -0.21 0.00 0.00 0.00 0.00 46.02 43.30 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 -1.86 2.88 -0.11 1.61 0.15 -1.07 -4.65 113.70 110.65 2d9f s SER 101 Ca 0.00 -0.97 -0.03 0.00 0.70 0.00 0.00 55.95 55.65 2d9f s SER 101 Cb 0.00 -0.19 -0.01 0.00 -1.71 0.00 0.00 66.02 64.11 2d9f s SER 101 CO 0.00 -0.07 -0.06 0.03 1.20 0.00 0.00 173.24 174.34 2d9f h ARG 102 N 2.71 0.00 -1.79 5.44 2.47 -1.93 -3.24 114.38 118.04 2d9f h ARG 102 Ca -0.40 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.40 2d9f h ARG 102 Cb 1.23 0.00 -0.20 0.00 -1.65 0.00 0.00 29.97 29.34 2d9f h ARG 102 CO 0.58 0.00 -0.15 0.45 0.56 0.00 0.00 179.97 181.41 2d9f s SER 103 N -5.62 -1.18 0.12 7.04 0.15 -1.26 -2.65 113.70 110.30 2d9f s SER 103 Ca -0.05 1.43 -0.31 0.00 0.70 0.00 0.00 55.95 57.72 2d9f s SER 103 Cb 0.01 2.27 -0.08 0.00 -1.71 0.00 0.00 66.02 66.51 2d9f s SER 103 CO 0.08 -0.22 1.36 -2.16 1.20 0.00 0.00 173.24 173.49 2d9f s PRO 104 N 2.88 4.34 0.54 5.44 0.04 -1.26 -5.12 135.00 141.86 2d9f s PRO 104 Ca -0.01 2.03 -0.22 0.00 0.04 0.00 0.00 61.00 62.85 2d9f s PRO 104 Cb -0.12 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 2d9f s PRO 104 CO -0.19 -0.39 1.33 -0.47 0.04 0.00 0.00 177.00 177.31 2d9f s TYR 105 N 0.99 2.36 -0.08 0.56 6.14 -1.08 -4.71 117.35 121.52 2d9f s TYR 105 Ca 0.63 1.40 -0.09 0.00 0.64 0.00 0.00 57.07 59.64 2d9f s TYR 105 Cb -0.36 -3.74 0.02 0.00 0.42 0.00 0.00 41.96 38.30 2d9f s TYR 105 CO 0.31 -2.72 0.25 0.96 0.64 0.00 0.00 175.55 175.00 2d9f s ILE 106 N -1.34 0.01 0.42 3.14 -5.25 -1.22 -4.87 121.20 112.09 2d9f s ILE 106 Ca 0.71 -0.09 -0.25 0.00 -0.99 0.00 0.00 60.65 60.04 2d9f s ILE 106 Cb -0.39 -0.39 -0.08 0.00 2.95 0.00 0.00 42.46 44.55 2d9f s ILE 106 CO 0.46 -0.05 1.18 -2.16 -1.79 0.00 0.00 174.94 172.58 2d9f s PRO 107 N -0.09 3.95 0.70 0.37 0.04 -1.26 -2.60 135.00 136.10 2d9f s PRO 107 Ca -0.02 1.85 -0.13 0.00 0.04 0.00 0.00 61.00 62.74 2d9f s PRO 107 Cb -0.02 -2.60 0.02 0.00 0.04 0.00 0.00 34.50 31.94 2d9f s PRO 107 CO 0.01 -0.41 1.10 -1.25 0.04 0.00 0.00 177.00 176.49 2d9f s PRO 108 N -2.42 2.62 -0.97 0.56 0.04 -1.26 -3.25 135.00 130.32 2d9f s PRO 108 Ca 0.59 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2d9f s PRO 108 Cb -0.31 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2d9f s PRO 108 CO 0.38 -1.38 0.00 0.72 0.04 0.00 0.00 177.00 176.76 2d9f n HIS 109 N -2.78 -1.31 -3.66 0.56 8.25 -1.26 -4.90 115.22 110.12 2d9f n HIS 109 Ca 0.10 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.17 2d9f n HIS 109 Cb 0.52 -2.50 -0.10 0.00 1.12 0.00 0.00 29.99 29.03 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 -2.43 3.29 0.97 -1.41 0.00 -1.20 -4.77 121.76 116.20 2d9f s ALA 110 Ca 0.00 -2.56 -0.15 0.00 0.00 0.00 0.00 51.96 49.26 2d9f s ALA 110 Cb 0.00 -2.63 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 2d9f s ALA 110 CO 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 175.76 173.89 2d9f n ALA 111 N 4.72 -3.60 -3.71 0.00 0.00 -1.26 -4.05 120.51 112.62 2d9f n ALA 111 Ca -0.05 -0.68 -0.11 0.00 0.00 0.00 0.00 53.44 52.60 2d9f n ALA 111 Cb 0.41 -1.57 -0.12 0.00 0.00 0.00 0.00 19.45 18.17 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 1.75 0.09 -0.30 0.00 1.43 -1.24 -3.78 118.68 116.63 2d9f s LEU 112 Ca 0.51 0.75 -0.25 0.00 -1.03 0.00 0.00 54.13 54.11 2d9f s LEU 112 Cb -0.19 1.10 0.00 0.00 0.03 0.00 0.00 46.19 47.13 2d9f s LEU 112 CO 0.72 -0.18 0.86 0.00 0.23 0.00 0.00 176.35 177.98 2d9f s LEU 114 N 3.09 2.35 -0.44 0.00 1.43 -0.79 -2.62 118.68 121.70 2d9f s LEU 114 Ca 0.36 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.88 2d9f s LEU 114 Cb -0.14 -1.49 0.08 0.00 0.03 0.00 0.00 46.19 44.67 2d9f s LEU 114 CO 0.12 0.16 0.32 -0.70 0.23 0.00 0.00 176.35 176.48 2d9f s GLU 115 N 0.34 2.75 0.09 1.70 2.12 -1.24 -0.66 118.70 123.81 2d9f s GLU 115 Ca -0.16 -1.43 -0.18 0.00 0.36 0.00 0.00 54.97 53.57 2d9f s GLU 115 Cb -0.17 -3.92 -0.07 0.00 0.26 0.00 0.00 34.13 30.23 2d9f s GLU 115 CO 0.08 -0.99 0.56 0.08 -0.54 0.00 0.00 175.26 174.45 2d9f s VAL 116 N 1.51 4.77 -0.24 3.70 1.01 -0.26 -3.93 120.40 126.97 2d9f s VAL 116 Ca 0.03 1.11 -0.03 0.00 0.00 0.00 0.00 61.98 63.09 2d9f s VAL 116 Cb -0.24 -3.85 0.10 0.00 0.00 0.00 0.00 36.38 32.40 2d9f s VAL 116 CO 0.04 0.47 0.22 -0.89 0.00 0.00 0.00 175.10 174.93 2d9f s THR 117 N -1.21 -0.29 -0.39 3.92 2.01 -1.25 -1.47 115.64 116.96 2d9f s THR 117 Ca 0.31 -0.31 -0.28 0.00 0.31 0.00 0.00 61.69 61.72 2d9f s THR 117 Cb -0.18 -0.79 -0.00 0.00 0.01 0.00 0.00 72.50 71.53 2d9f s THR 117 CO 0.19 -0.35 1.61 -0.22 -0.69 0.00 0.00 174.62 175.15 2d9f s LEU 118 N 2.29 3.53 -0.05 4.42 1.98 -1.25 -2.91 118.68 126.70 2d9f s LEU 118 Ca 0.08 1.01 -0.03 0.00 -2.89 0.00 0.00 54.13 52.29 2d9f s LEU 118 Cb -0.15 -3.47 -0.01 0.00 0.66 0.00 0.00 46.19 43.22 2d9f s LEU 118 CO -0.21 -1.61 -0.06 0.11 -1.89 0.00 0.00 176.35 172.69 2d9f h LYS 119 N 11.89 0.00 -3.55 1.98 1.79 -1.77 0.30 116.57 127.21 2d9f h LYS 119 Ca -0.30 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.01 2d9f h LYS 119 Cb 1.14 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.56 2d9f h LYS 119 CO 1.07 0.00 -0.54 0.95 -1.08 0.00 0.00 179.45 179.85 2d9f s THR 120 N -1.44 0.07 -0.18 -0.16 -4.23 -1.20 -4.44 115.64 104.06 2d9f s THR 120 Ca -0.05 -0.55 -0.00 0.00 -1.18 0.00 0.00 61.69 59.90 2d9f s THR 120 Cb 0.01 -0.35 0.04 0.00 1.34 0.00 0.00 72.50 73.54 2d9f s THR 120 CO 0.07 -0.30 -0.05 0.00 -0.54 0.00 0.00 174.62 173.80 2d9f s ALA 121 N -1.04 1.52 0.16 3.99 0.00 -1.26 -1.94 121.76 123.19 2d9f s ALA 121 Ca -0.11 -0.89 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 2d9f s ALA 121 Cb -0.06 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 2d9f s ALA 121 CO 0.01 -0.85 0.17 0.14 0.00 0.00 0.00 175.76 175.23 2d9f s VAL 122 N 1.62 0.07 -0.04 0.00 -7.23 -0.70 -4.99 120.40 109.13 2d9f s VAL 122 Ca -0.00 -1.71 -0.20 0.00 -1.81 0.00 0.00 61.98 58.26 2d9f s VAL 122 Cb -0.16 -2.03 -0.32 0.00 0.56 0.00 0.00 36.38 34.43 2d9f s VAL 122 CO -0.08 -0.33 0.86 -0.78 -0.31 0.00 0.00 175.10 174.47 2d9f h ASP 123 N 2.69 0.54 -4.05 4.85 1.82 -1.94 0.53 116.42 120.86 2d9f h ASP 123 Ca -0.34 -0.93 -0.48 0.00 -0.39 0.00 0.00 57.03 54.89 2d9f h ASP 123 Cb 1.22 -0.18 0.04 0.00 0.68 0.00 0.00 39.33 41.09 2d9f h ASP 123 CO 0.53 1.50 0.41 0.00 -1.61 0.00 0.00 179.24 180.07 2d9f s ARG 124 N -2.47 3.76 0.50 0.28 1.70 -1.26 -4.25 118.95 117.21 2d9f s ARG 124 Ca -0.14 1.49 -0.21 0.00 -0.47 0.00 0.00 55.73 56.40 2d9f s ARG 124 Cb 0.02 -2.18 -0.07 0.00 -0.57 0.00 0.00 34.95 32.15 2d9f s ARG 124 CO 0.85 -0.49 1.15 -1.25 -1.08 0.00 0.00 175.30 174.47 2d9f s PRO 125 N -3.06 3.55 -0.11 3.89 0.04 -1.26 -4.81 135.00 133.23 2d9f s PRO 125 Ca 0.67 1.69 -0.16 0.00 0.04 0.00 0.00 61.00 63.23 2d9f s PRO 125 Cb -0.20 -2.20 -0.26 0.00 0.04 0.00 0.00 34.50 31.88 2d9f s PRO 125 CO 0.24 -0.70 0.52 -0.44 0.04 0.00 0.00 177.00 176.66 2d9f h ASP 126 N 1.60 0.35 -2.76 6.66 3.32 -1.96 -3.43 116.42 120.20 2d9f h ASP 126 Ca -0.50 -0.84 -0.54 0.00 0.02 0.00 0.00 57.03 55.17 2d9f h ASP 126 Cb 1.25 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.63 2d9f h ASP 126 CO 0.58 1.61 1.10 -0.76 -1.72 0.00 0.00 179.24 180.05 2d9f s LEU 127 N -7.55 3.37 -0.02 1.55 1.02 -1.26 -4.99 118.68 110.80 2d9f s LEU 127 Ca -0.21 0.18 0.06 0.00 0.02 0.00 0.00 54.13 54.19 2d9f s LEU 127 Cb 0.04 -2.98 -0.02 0.00 0.02 0.00 0.00 46.19 43.25 2d9f s LEU 127 CO 0.75 -1.74 -0.20 -1.83 0.02 0.00 0.00 176.35 173.35 2d9f s GLU 128 N 5.56 2.25 0.14 1.70 -1.05 -1.26 -5.14 118.70 120.90 2d9f s GLU 128 Ca 0.50 -0.85 0.08 0.00 -0.15 0.00 0.00 54.97 54.55 2d9f s GLU 128 Cb -0.10 -2.19 -0.04 0.00 -0.44 0.00 0.00 34.13 31.36 2d9f s GLU 128 CO 0.24 0.58 -0.19 -1.64 0.95 0.00 0.00 175.26 175.20 2d9f s MET 129 N -0.80 1.21 -0.62 -4.83 -1.94 -1.26 -5.04 119.30 106.02 2d9f s MET 129 Ca 0.11 -1.32 -0.02 0.00 -1.71 0.00 0.00 55.69 52.76 2d9f s MET 129 Cb -0.10 -1.31 0.41 0.00 2.01 0.00 0.00 34.83 35.83 2d9f s MET 129 CO 0.01 0.28 2.04 0.43 -0.01 0.00 0.00 175.02 177.76 2d9f n SER 130 N 0.56 7.52 -3.97 3.03 7.64 -1.26 -4.88 113.62 122.27 2d9f n SER 130 Ca -0.15 -3.68 -0.30 0.00 1.01 0.00 0.00 58.87 55.75 2d9f n SER 130 Cb 0.56 -1.00 -0.16 0.00 -1.01 0.00 0.00 64.21 62.60 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 -1.50 1.19 -0.02 0.23 0.00 -1.26 -5.10 107.32 100.85 2d9f s GLY 131 Ca 0.60 -1.11 -0.30 0.00 0.00 0.00 0.00 44.72 43.91 2d9f s GLY 131 CO -0.02 0.76 1.47 2.56 0.00 0.00 0.00 173.10 177.87 2d9f s PRO 132 N 1.46 4.24 0.34 2.90 0.04 -1.26 -5.01 135.00 137.72 2d9f s PRO 132 Ca -0.01 2.02 -0.21 0.00 0.04 0.00 0.00 61.00 62.84 2d9f s PRO 132 Cb -0.16 -3.69 -0.10 0.00 0.04 0.00 0.00 34.50 30.59 2d9f s PRO 132 CO -0.08 -0.67 0.88 0.45 0.04 0.00 0.00 177.00 177.61 2d9f s SER 133 N 2.28 7.07 0.11 6.66 0.15 -1.26 -4.99 113.70 123.73 2d9f s SER 133 Ca 0.66 1.63 -0.33 0.00 0.70 0.00 0.00 55.95 58.61 2d9f s SER 133 Cb -0.32 -2.51 -0.12 0.00 -1.71 0.00 0.00 66.02 61.37 2d9f s SER 133 CO 0.26 -0.17 1.56 0.28 1.20 0.00 0.00 173.24 176.38 2d9f h SER 134 N 2.64 -1.55 0.00 5.45 0.02 -2.09 -3.57 113.55 114.45 2d9f h SER 134 Ca -0.48 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2d9f h SER 134 Cb 1.19 0.59 0.00 0.00 0.14 0.00 0.00 62.40 64.32 2d9f h SER 134 CO 0.64 -0.51 0.00 0.61 -1.14 0.00 0.00 176.83 176.43