#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 6.46 -0.17 1.61 0.01 -1.26 -5.04 113.70 115.32 2d9f s SER 2 Ca 0.00 0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.58 2d9f s SER 2 Cb 0.00 -2.33 0.02 0.00 0.21 0.00 0.00 66.02 63.93 2d9f s SER 2 CO 0.00 -0.52 -0.16 -0.55 0.41 0.00 0.00 173.24 172.42 2d9f s SER 3 N 1.70 2.95 -0.03 2.44 0.15 -1.26 -5.00 113.70 114.65 2d9f s SER 3 Ca 0.25 -0.60 -0.05 0.00 0.70 0.00 0.00 55.95 56.25 2d9f s SER 3 Cb -0.15 -1.32 -0.03 0.00 -1.71 0.00 0.00 66.02 62.82 2d9f s SER 3 CO 0.13 -0.04 -0.12 0.61 1.20 0.00 0.00 173.24 175.02 2d9f n GLY 4 N 4.70 -0.18 3.05 9.45 0.00 -1.26 -4.98 105.19 115.97 2d9f n GLY 4 Ca -0.18 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 -5.91 4.66 -0.16 1.61 1.04 -1.26 -5.07 113.70 108.61 2d9f s SER 5 Ca -0.11 -1.84 -0.05 0.00 0.48 0.00 0.00 55.95 54.43 2d9f s SER 5 Cb 0.03 -1.61 0.08 0.00 0.10 0.00 0.00 66.02 64.62 2d9f s SER 5 CO 0.15 -0.31 0.32 -0.55 0.98 0.00 0.00 173.24 173.83 2d9f s SER 6 N 1.01 0.22 0.33 7.02 0.15 -1.26 -5.05 113.70 116.12 2d9f s SER 6 Ca 0.03 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.32 2d9f s SER 6 Cb -0.20 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 2d9f s SER 6 CO -0.07 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.74 2d9f n GLY 7 N 5.36 0.38 2.63 9.45 0.00 -1.26 -4.77 105.19 116.99 2d9f n GLY 7 Ca -0.07 0.63 -0.14 0.00 0.00 0.00 0.00 46.02 46.44 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 -3.81 -0.08 1.61 2.13 -1.26 -4.89 120.64 114.34 2d9f n GLU 8 Ca 0.00 0.54 0.17 0.00 0.66 0.00 0.00 57.16 58.54 2d9f n GLU 8 Cb 0.00 -4.65 0.59 0.00 0.27 0.00 0.00 31.44 27.65 2d9f n GLU 8 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2d9f h GLU 9 N -1.19 0.22 0.00 5.31 9.09 -2.01 -3.43 114.58 122.57 2d9f h GLU 9 Ca -0.34 -0.01 -0.44 0.00 0.05 0.00 0.00 59.36 58.62 2d9f h GLU 9 Cb 1.23 -0.05 -0.09 0.00 -1.65 0.00 0.00 28.75 28.19 2d9f h GLU 9 CO 0.35 0.14 -0.34 0.91 0.05 0.00 0.00 179.01 180.13 2d9f n TRP 10 N -4.43 0.51 -4.80 2.06 7.02 -1.26 -4.96 117.44 111.58 2d9f n TRP 10 Ca 0.12 -1.81 -0.30 0.00 -1.02 0.00 0.00 57.50 54.48 2d9f n TRP 10 Cb 0.55 -0.13 -0.14 0.00 -2.42 0.00 0.00 31.31 29.17 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 2.37 -0.58 -0.99 0.20 -1.01 -4.94 118.68 113.72 2d9f s LEU 11 Ca 0.07 -0.51 -0.19 0.00 0.69 0.00 0.00 54.13 54.19 2d9f s LEU 11 Cb 0.00 -1.39 0.10 0.00 -0.43 0.00 0.00 46.19 44.48 2d9f s LEU 11 CO 0.05 0.26 0.69 1.51 -0.29 0.00 0.00 176.35 178.56 2d9f s ASP 12 N -1.32 6.18 0.14 3.68 1.47 -1.26 -2.22 116.67 123.35 2d9f s ASP 12 Ca 0.13 -1.43 -0.13 0.00 1.18 0.00 0.00 52.55 52.30 2d9f s ASP 12 Cb -0.10 -2.30 0.01 0.00 -0.34 0.00 0.00 42.92 40.19 2d9f s ASP 12 CO 0.03 -1.09 1.59 0.40 0.68 0.00 0.00 175.17 176.79 2d9f h ILE 13 N 5.92 1.26 0.00 2.11 2.04 -1.82 -3.26 117.51 123.76 2d9f h ILE 13 Ca -0.29 -1.04 -0.33 0.00 1.00 0.00 0.00 64.86 64.19 2d9f h ILE 13 Cb 1.09 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 38.13 2d9f h ILE 13 CO 1.09 0.36 -2.08 0.18 0.00 0.00 0.00 178.15 177.70 2d9f n LEU 14 N -4.37 0.40 0.00 1.44 4.77 -1.26 -5.00 117.00 112.98 2d9f n LEU 14 Ca 0.00 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2d9f n LEU 14 Cb 0.30 0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 2d9f n LEU 14 CO 0.42 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 2d9f n GLY 15 N 1.66 1.90 0.05 -0.72 0.00 -1.23 -4.93 105.19 101.92 2d9f n GLY 15 Ca -0.26 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 0.85 0.01 0.00 1.61 2.35 -1.93 -3.48 115.58 115.00 2d9f h ASN 16 Ca 0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2d9f h ASN 16 Cb 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2d9f h ASN 16 CO 0.00 0.13 0.00 0.61 -1.65 0.00 0.00 177.43 176.52 2d9f n GLY 17 N -0.77 1.04 0.07 2.83 0.00 -1.26 -5.04 105.19 102.07 2d9f n GLY 17 Ca -0.07 0.00 -0.02 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 -0.13 -8.62 0.99 -0.00 -1.91 -3.42 115.31 102.22 2d9f h LEU 18 Ca 0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 57.88 57.34 2d9f h LEU 18 Cb 0.00 0.03 -0.06 0.00 -0.00 0.00 0.00 40.66 40.64 2d9f h LEU 18 CO 0.00 -0.00 1.12 -0.22 -0.00 0.00 0.00 178.44 179.33 2d9f s LEU 19 N -5.46 3.42 0.39 1.67 2.96 -1.26 -3.78 118.68 116.61 2d9f s LEU 19 Ca -0.02 0.40 0.08 0.00 -0.22 0.00 0.00 54.13 54.37 2d9f s LEU 19 Cb 0.00 -3.11 -0.05 0.00 0.50 0.00 0.00 46.19 43.53 2d9f s LEU 19 CO 0.07 -1.71 0.14 -0.13 -1.32 0.00 0.00 176.35 173.39 2d9f s ARG 20 N 5.53 2.22 -0.05 1.98 0.52 -1.18 -2.34 118.95 125.61 2d9f s ARG 20 Ca 0.55 -1.78 -0.03 0.00 -0.52 0.00 0.00 55.73 53.96 2d9f s ARG 20 Cb -0.12 -2.00 0.03 0.00 0.52 0.00 0.00 34.95 33.38 2d9f s ARG 20 CO 0.26 -0.03 0.12 0.21 0.02 0.00 0.00 175.30 175.88 2d9f s LYS 21 N -3.85 0.09 -0.33 3.54 2.20 -0.94 -3.03 119.74 117.41 2d9f s LYS 21 Ca 0.39 0.26 -0.00 0.00 -0.36 0.00 0.00 55.97 56.26 2d9f s LYS 21 Cb 0.02 -0.10 0.11 0.00 -1.51 0.00 0.00 37.83 36.35 2d9f s LYS 21 CO 0.22 -0.11 0.12 0.21 -0.36 0.00 0.00 175.35 175.43 2d9f s LYS 22 N 0.73 0.78 -0.42 4.03 2.20 0.31 -2.40 119.74 124.97 2d9f s LYS 22 Ca -0.06 -1.20 -0.27 0.00 -0.36 0.00 0.00 55.97 54.08 2d9f s LYS 22 Cb -0.08 -2.01 -0.07 0.00 -1.51 0.00 0.00 37.83 34.17 2d9f s LYS 22 CO -0.03 -1.02 2.36 2.41 -0.36 0.00 0.00 175.35 178.71 2d9f n THR 23 N 4.65 0.06 -0.01 3.43 -1.04 -1.26 -1.28 114.28 118.82 2d9f n THR 23 Ca -0.00 -0.65 -0.17 0.00 -2.04 0.00 0.00 64.05 61.19 2d9f n THR 23 Cb 0.41 -2.61 -0.10 0.00 -1.82 0.00 0.00 70.33 66.21 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 17.73 0.55 -7.08 -4.42 3.38 -0.04 -3.44 115.31 122.00 2d9f h LEU 24 Ca -0.29 -0.70 -0.47 0.00 0.09 0.00 0.00 57.88 56.51 2d9f h LEU 24 Cb 1.26 -0.17 -0.41 0.00 0.09 0.00 0.00 40.66 41.44 2d9f h LEU 24 CO 1.10 1.17 -0.75 -0.69 0.09 0.00 0.00 178.44 179.36 2d9f s VAL 25 N -3.43 -0.02 0.56 1.22 1.01 0.52 -4.96 120.40 115.30 2d9f s VAL 25 Ca -0.13 -0.20 -0.19 0.00 0.00 0.00 0.00 61.98 61.46 2d9f s VAL 25 Cb 0.04 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 2d9f s VAL 25 CO 0.82 -0.27 1.13 -2.16 0.00 0.00 0.00 175.10 174.61 2d9f s PRO 26 N 2.11 3.26 0.78 2.72 0.04 -1.26 0.97 135.00 143.62 2d9f s PRO 26 Ca 0.02 1.57 -0.04 0.00 0.04 0.00 0.00 61.00 62.58 2d9f s PRO 26 Cb -0.16 -2.00 0.15 0.00 0.04 0.00 0.00 34.50 32.53 2d9f s PRO 26 CO -0.09 -0.91 1.08 0.20 0.04 0.00 0.00 177.00 177.32 2d9f s GLY 27 N -1.92 1.76 0.97 0.56 0.00 -1.25 -4.76 107.32 102.68 2d9f s GLY 27 Ca 0.72 -1.63 -0.12 0.00 0.00 0.00 0.00 44.72 43.69 2d9f s GLY 27 CO 0.29 -1.00 1.09 2.56 0.00 0.00 0.00 173.10 176.05 2d9f s PRO 28 N -5.33 0.69 0.00 2.90 0.04 -1.26 -4.92 135.00 127.12 2d9f s PRO 28 Ca 0.68 0.62 0.15 0.00 0.04 0.00 0.00 61.00 62.49 2d9f s PRO 28 Cb -0.05 -1.76 0.69 0.00 0.04 0.00 0.00 34.50 33.42 2d9f s PRO 28 CO 0.47 -2.58 1.43 -0.35 0.04 0.00 0.00 177.00 176.01 2d9f n PRO 29 N -4.09 0.12 -0.09 0.56 -0.04 -1.26 -3.17 135.00 127.03 2d9f n PRO 29 Ca 0.06 0.19 -0.23 0.00 -0.04 0.00 0.00 63.50 63.48 2d9f n PRO 29 Cb 0.57 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.41 2d9f n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d9f n GLY 30 N -0.03 -0.66 3.13 0.55 0.00 -1.26 -4.97 105.19 101.95 2d9f n GLY 30 Ca 0.05 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2d9f n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d9f n SER 31 N -4.06 -2.79 -3.61 1.61 3.41 -1.19 -5.03 113.62 101.95 2d9f n SER 31 Ca -0.37 -0.05 -0.10 0.00 -0.26 0.00 0.00 58.87 58.09 2d9f n SER 31 Cb 0.84 -0.72 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.39 -0.42 0.25 4.04 1.04 -1.26 -4.91 113.70 111.05 2d9f s SER 32 Ca 0.45 0.66 -0.29 0.00 0.48 0.00 0.00 55.95 57.26 2d9f s SER 32 Cb -0.00 0.62 -0.15 0.00 0.10 0.00 0.00 66.02 66.59 2d9f s SER 32 CO 0.67 -0.24 0.95 0.54 0.98 0.00 0.00 173.24 176.14 2d9f n ARG 33 N 1.56 1.07 0.00 4.02 1.74 -1.26 -3.63 116.66 120.16 2d9f n ARG 33 Ca -0.12 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 2d9f n ARG 33 Cb 0.57 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 2d9f n ARG 33 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2d9f n PRO 34 N 0.97 -0.79 -4.31 5.56 -0.04 -1.26 -4.95 135.00 130.18 2d9f n PRO 34 Ca 0.12 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.33 2d9f n PRO 34 Cb 0.29 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.66 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 -0.88 3.19 -0.35 0.52 0.11 -1.26 -4.98 120.40 116.74 2d9f s VAL 35 Ca 0.00 -1.84 -0.24 0.00 -2.93 0.00 0.00 61.98 56.97 2d9f s VAL 35 Cb 0.00 -2.64 0.01 0.00 -1.53 0.00 0.00 36.38 32.22 2d9f s VAL 35 CO 0.00 -0.24 0.82 -0.75 -3.33 0.00 0.00 175.10 171.61 2d9f s LYS 36 N -3.20 3.82 0.00 1.54 2.20 -1.26 -3.79 119.74 119.04 2d9f s LYS 36 Ca 0.28 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.33 2d9f s LYS 36 Cb -0.07 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 2d9f s LYS 36 CO 0.17 -0.84 0.00 0.41 -0.36 0.00 0.00 175.35 174.72 2d9f n GLY 37 N 4.42 1.64 3.75 5.54 0.00 0.17 -4.91 105.19 115.80 2d9f n GLY 37 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.87 119.66 116.57 2d9f s GLN 38 Ca 0.00 -2.29 -0.24 0.00 0.02 0.00 0.00 55.36 52.85 2d9f s GLN 38 Cb 0.00 -1.62 0.03 0.00 1.00 0.00 0.00 33.01 32.42 2d9f s GLN 38 CO 0.00 -0.31 0.89 0.08 -2.12 0.00 0.00 175.29 173.82 2d9f s VAL 39 N -2.82 4.50 -0.16 1.09 1.01 0.39 -2.62 120.40 121.80 2d9f s VAL 39 Ca 0.15 0.50 -0.05 0.00 0.00 0.00 0.00 61.98 62.59 2d9f s VAL 39 Cb 0.03 -4.43 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 2d9f s VAL 39 CO 0.08 -0.88 0.00 0.68 0.00 0.00 0.00 175.10 174.98 2d9f s VAL 40 N 3.66 4.24 -0.19 2.92 -7.23 -0.88 -0.95 120.40 121.98 2d9f s VAL 40 Ca 0.33 -0.24 0.01 0.00 -1.81 0.00 0.00 61.98 60.27 2d9f s VAL 40 Cb -0.11 -2.87 0.03 0.00 0.56 0.00 0.00 36.38 33.98 2d9f s VAL 40 CO 0.23 0.49 -0.19 -0.89 -0.31 0.00 0.00 175.10 174.43 2d9f s THR 41 N 0.25 2.08 0.30 5.32 2.01 -1.12 -2.56 115.64 121.92 2d9f s THR 41 Ca -0.00 -1.03 0.04 0.00 0.31 0.00 0.00 61.69 61.01 2d9f s THR 41 Cb -0.13 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 2d9f s THR 41 CO 0.02 0.47 0.19 0.68 -0.69 0.00 0.00 174.62 175.29 2d9f s VAL 42 N 1.27 0.17 -0.28 3.82 -7.23 -0.60 -2.71 120.40 114.85 2d9f s VAL 42 Ca 0.03 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.19 2d9f s VAL 42 Cb -0.14 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.35 2d9f s VAL 42 CO -0.12 0.00 -0.04 -2.28 -0.31 0.00 0.00 175.10 172.35 2d9f s HIS 43 N -3.62 3.19 0.21 2.82 2.46 -1.10 -1.23 115.29 118.02 2d9f s HIS 43 Ca 0.37 -1.82 0.09 0.00 0.47 0.00 0.00 55.06 54.17 2d9f s HIS 43 Cb 0.04 -2.07 -0.05 0.00 -0.13 0.00 0.00 32.58 30.38 2d9f s HIS 43 CO 0.20 -0.79 -0.16 -0.48 -2.47 0.00 0.00 174.74 171.04 2d9f s LEU 44 N 1.26 2.54 -0.18 8.88 -0.00 -1.23 -3.13 118.68 126.82 2d9f s LEU 44 Ca -0.04 -1.00 -0.05 0.00 -0.00 0.00 0.00 54.13 53.05 2d9f s LEU 44 Cb -0.19 -0.78 0.09 0.00 -0.00 0.00 0.00 46.19 45.32 2d9f s LEU 44 CO -0.03 -0.11 0.32 -1.10 -0.00 0.00 0.00 176.35 175.44 2d9f s GLN 45 N -3.48 0.24 -0.24 1.48 -0.21 -1.26 -3.94 119.66 112.25 2d9f s GLN 45 Ca 0.23 0.71 -0.23 0.00 0.02 0.00 0.00 55.36 56.09 2d9f s GLN 45 Cb -0.02 -0.18 -0.01 0.00 1.00 0.00 0.00 33.01 33.80 2d9f s GLN 45 CO 0.08 -0.40 0.74 0.99 -2.12 0.00 0.00 175.29 174.58 2d9f s THR 46 N 2.49 4.91 0.00 -0.19 2.01 -1.20 -4.19 115.64 119.47 2d9f s THR 46 Ca 0.04 1.38 0.00 0.00 0.31 0.00 0.00 61.69 63.41 2d9f s THR 46 Cb -0.13 -4.04 -0.00 0.00 0.01 0.00 0.00 72.50 68.34 2d9f s THR 46 CO -0.12 -0.02 -0.01 -0.44 -0.69 0.00 0.00 174.62 173.35 2d9f s SER 47 N 1.38 0.09 0.60 3.53 0.01 -1.16 -0.49 113.70 117.65 2d9f s SER 47 Ca 0.31 -0.03 -0.20 0.00 1.31 0.00 0.00 55.95 57.34 2d9f s SER 47 Cb -0.15 -0.00 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 2d9f s SER 47 CO 0.08 -0.01 1.31 0.18 0.41 0.00 0.00 173.24 175.22 2d9f n LEU 48 N 3.00 5.73 -0.14 2.44 7.99 -1.06 -1.63 117.00 133.32 2d9f n LEU 48 Ca -0.13 0.90 0.28 0.00 -0.01 0.00 0.00 56.01 57.05 2d9f n LEU 48 Cb 0.60 -1.56 0.70 0.00 -0.11 0.00 0.00 43.42 43.04 2d9f n LEU 48 CO 0.26 -0.84 1.26 -0.08 -1.51 0.00 0.00 177.39 176.48 2d9f h GLU 49 N 0.94 0.00 0.15 3.23 4.22 -1.92 0.18 114.58 121.38 2d9f h GLU 49 Ca -0.51 0.00 -0.19 0.00 0.08 0.00 0.00 59.36 58.74 2d9f h GLU 49 Cb 1.32 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.60 2d9f h GLU 49 CO 0.55 0.00 -0.86 -2.95 -2.18 0.00 0.00 179.01 173.57 2d9f h ASN 50 N 0.00 0.48 0.00 1.04 -1.07 -1.91 -3.49 115.58 110.64 2d9f h ASN 50 Ca 0.41 -0.95 0.00 0.00 0.07 0.00 0.00 56.30 55.83 2d9f h ASN 50 Cb 1.91 -0.16 0.00 0.00 -2.07 0.00 0.00 38.32 38.00 2d9f h ASN 50 CO -0.00 1.41 0.00 0.61 0.07 0.00 0.00 177.43 179.52 2d9f n GLY 51 N 1.67 0.11 2.75 9.14 0.00 0.64 -5.12 105.19 114.38 2d9f n GLY 51 Ca -0.14 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 1.68 -0.24 2.61 2.01 -1.25 -4.87 115.64 115.58 2d9f s THR 52 Ca 0.00 -2.85 -0.39 0.00 0.31 0.00 0.00 61.69 58.76 2d9f s THR 52 Cb 0.00 -2.16 -0.15 0.00 0.01 0.00 0.00 72.50 70.20 2d9f s THR 52 CO 0.00 -0.91 1.79 0.54 -0.69 0.00 0.00 174.62 175.35 2d9f n ARG 53 N 3.28 1.37 -0.01 4.92 1.74 -1.26 -2.57 116.66 124.12 2d9f n ARG 53 Ca 0.10 0.50 -0.14 0.00 -0.77 0.00 0.00 57.85 57.54 2d9f n ARG 53 Cb 0.35 -2.23 -0.14 0.00 -1.02 0.00 0.00 32.46 29.42 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 4.79 1.68 -3.69 1.55 0.31 0.36 -4.92 118.33 118.41 2d9f n VAL 54 Ca 0.26 -0.73 -0.11 0.00 -0.01 0.00 0.00 64.34 63.75 2d9f n VAL 54 Cb 0.17 -1.34 -0.11 0.00 -0.91 0.00 0.00 33.84 31.64 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 -2.58 0.34 -0.46 5.55 -2.07 -1.21 -4.85 119.66 114.39 2d9f s GLN 55 Ca -0.13 0.78 -0.09 0.00 -1.82 0.00 0.00 55.36 54.10 2d9f s GLN 55 Cb 0.07 0.01 0.11 0.00 -1.09 0.00 0.00 33.01 32.11 2d9f s GLN 55 CO 0.80 -0.18 0.32 -2.00 -1.32 0.00 0.00 175.29 172.91 2d9f s GLU 56 N 1.60 2.47 -0.30 9.60 2.12 -1.26 -3.24 118.70 129.69 2d9f s GLU 56 Ca -0.08 -1.71 0.01 0.00 0.36 0.00 0.00 54.97 53.56 2d9f s GLU 56 Cb -0.09 -3.88 0.09 0.00 0.26 0.00 0.00 34.13 30.51 2d9f s GLU 56 CO -0.12 -1.14 0.04 -2.00 -0.54 0.00 0.00 175.26 171.50 2d9f s GLU 57 N 1.36 1.21 0.06 4.30 2.56 -1.25 -4.99 118.70 121.95 2d9f s GLU 57 Ca 0.05 -1.36 -0.18 0.00 0.00 0.00 0.00 54.97 53.49 2d9f s GLU 57 Cb -0.25 -2.59 -0.12 0.00 2.00 0.00 0.00 34.13 33.16 2d9f s GLU 57 CO -0.00 -0.88 1.37 -1.00 -0.56 0.00 0.00 175.26 174.19 2d9f h PRO 58 N 7.88 0.49 -4.22 4.30 0.13 -1.92 -3.26 132.00 135.40 2d9f h PRO 58 Ca -0.11 -0.26 -0.70 0.00 -0.87 0.00 0.00 66.00 64.06 2d9f h PRO 58 Cb 1.03 0.01 -0.33 0.00 0.13 0.00 0.00 31.00 31.84 2d9f h PRO 58 CO 0.48 0.84 -0.45 -2.00 -0.23 0.00 0.00 178.00 176.63 2d9f s GLU 59 N -4.32 2.28 -0.23 0.86 2.12 -1.26 -4.00 118.70 114.15 2d9f s GLU 59 Ca -0.13 -1.99 -0.07 0.00 0.36 0.00 0.00 54.97 53.14 2d9f s GLU 59 Cb 0.07 -3.72 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 2d9f s GLU 59 CO 0.78 -1.13 0.07 -1.17 -0.54 0.00 0.00 175.26 173.27 2d9f s LEU 60 N 0.89 3.52 0.08 2.70 1.98 -0.37 -4.99 118.68 122.50 2d9f s LEU 60 Ca 0.10 -0.14 0.10 0.00 -2.89 0.00 0.00 54.13 51.30 2d9f s LEU 60 Cb -0.23 -1.93 -0.03 0.00 0.66 0.00 0.00 46.19 44.66 2d9f s LEU 60 CO -0.03 0.01 -0.27 0.54 -1.89 0.00 0.00 176.35 174.71 2d9f s VAL 61 N 1.33 2.19 0.22 1.68 0.11 -1.26 -1.55 120.40 123.11 2d9f s VAL 61 Ca 0.05 -1.54 -0.22 0.00 -2.93 0.00 0.00 61.98 57.34 2d9f s VAL 61 Cb -0.15 -1.90 0.06 0.00 -1.53 0.00 0.00 36.38 32.87 2d9f s VAL 61 CO 0.04 0.26 0.93 0.72 -3.33 0.00 0.00 175.10 173.71 2d9f s PHE 62 N -0.91 -0.02 -0.59 1.54 -0.12 -1.06 -5.01 117.98 111.81 2d9f s PHE 62 Ca 0.13 -0.40 -0.08 0.00 -0.05 0.00 0.00 56.93 56.52 2d9f s PHE 62 Cb -0.10 0.71 0.15 0.00 -0.63 0.00 0.00 43.02 43.15 2d9f s PHE 62 CO 0.04 -1.05 0.46 0.99 -0.05 0.00 0.00 175.22 175.61 2d9f s THR 63 N -2.80 4.38 0.05 -4.49 2.01 -1.26 -2.07 115.64 111.46 2d9f s THR 63 Ca 0.16 -2.26 -0.38 0.00 0.31 0.00 0.00 61.69 59.52 2d9f s THR 63 Cb -0.03 -3.83 -0.18 0.00 0.01 0.00 0.00 72.50 68.47 2d9f s THR 63 CO 0.06 -0.86 1.17 -0.11 -0.69 0.00 0.00 174.62 174.19 2d9f n LEU 64 N 4.31 0.71 0.00 4.42 7.94 -1.08 -1.24 117.00 132.07 2d9f n LEU 64 Ca 0.01 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 2d9f n LEU 64 Cb 0.41 -1.04 0.00 0.00 0.53 0.00 0.00 43.42 43.32 2d9f n LEU 64 CO 0.38 -1.55 0.00 0.61 -1.11 0.00 0.00 177.39 175.72 2d9f n GLY 65 N 1.95 2.84 0.05 -3.96 0.00 -1.26 0.45 105.19 105.26 2d9f n GLY 65 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 0.61 -2.81 1.61 9.92 -0.37 -4.97 116.55 120.54 2d9f n ASP 66 Ca 0.00 -0.09 -0.18 0.00 -0.53 0.00 0.00 54.79 53.99 2d9f n ASP 66 Cb 0.00 0.75 0.06 0.00 -0.64 0.00 0.00 41.12 41.29 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 -1.91 0.00 -3.26 0.00 2.03 -1.26 -4.79 116.55 107.36 2d9f n ASP 68 Ca -0.01 -0.30 -0.18 0.00 0.52 0.00 0.00 54.79 54.82 2d9f n ASP 68 Cb 0.55 -0.16 -0.04 0.00 -0.72 0.00 0.00 41.12 40.75 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 -1.16 0.00 -1.08 5.18 0.24 -1.26 -5.04 118.33 115.21 2d9f n VAL 69 Ca 0.13 -1.52 -0.34 0.00 -2.04 0.00 0.00 64.34 60.57 2d9f n VAL 69 Cb 0.13 0.46 0.11 0.00 -1.47 0.00 0.00 33.84 33.07 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 -0.67 1.61 1.12 1.34 2.08 -1.26 -4.76 119.36 118.83 2d9f n ILE 70 Ca -0.07 -0.24 0.13 0.00 0.56 0.00 0.00 62.75 63.12 2d9f n ILE 70 Cb 0.40 -1.00 0.62 0.00 -0.75 0.00 0.00 39.64 38.91 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 -2.47 0.26 0.01 0.38 1.13 -0.71 -1.61 117.38 114.37 2d9f n GLN 71 Ca 0.12 0.05 0.11 0.00 -1.94 0.00 0.00 57.00 55.33 2d9f n GLN 71 Cb 0.51 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.29 2d9f n GLN 71 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2d9f n ALA 72 N -1.35 3.55 -0.10 -1.58 0.00 -1.25 -3.62 120.51 116.16 2d9f n ALA 72 Ca 0.10 -0.48 -0.18 0.00 0.00 0.00 0.00 53.44 52.88 2d9f n ALA 72 Cb 0.23 -0.86 -0.09 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.95 2.34 0.23 0.00 7.94 -1.10 -4.04 117.00 120.41 2d9f n LEU 73 Ca 0.01 0.06 0.11 0.00 -1.11 0.00 0.00 56.01 55.07 2d9f n LEU 73 Cb 0.45 -0.68 0.52 0.00 0.53 0.00 0.00 43.42 44.24 2d9f n LEU 73 CO 0.43 0.67 0.84 -0.78 -1.11 0.00 0.00 177.39 177.43 2d9f h ASP 74 N -0.35 0.00 0.50 1.96 1.82 -1.53 0.37 116.42 119.20 2d9f h ASP 74 Ca -0.50 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 2d9f h ASP 74 Cb 1.60 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.61 2d9f h ASP 74 CO -0.19 0.20 -0.40 0.18 -1.61 0.00 0.00 179.24 177.43 2d9f n LEU 75 N -3.43 0.53 -0.04 2.28 4.32 -1.24 -4.01 117.00 115.41 2d9f n LEU 75 Ca -0.00 0.01 -0.04 0.00 -0.02 0.00 0.00 56.01 55.96 2d9f n LEU 75 Cb 0.39 -0.25 -0.08 0.00 -1.62 0.00 0.00 43.42 41.86 2d9f n LEU 75 CO 0.32 0.12 -0.79 -1.54 -1.22 0.00 0.00 177.39 174.28 2d9f n SER 76 N -1.34 2.65 -0.02 -1.43 3.41 -0.90 -4.57 113.62 111.42 2d9f n SER 76 Ca 0.07 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.57 2d9f n SER 76 Cb 0.33 0.80 -0.04 0.00 -0.26 0.00 0.00 64.21 65.04 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 0.23 0.00 -3.33 2.07 -0.42 0.23 116.25 115.04 2d9f h VAL 77 Ca -0.24 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2d9f h VAL 77 Cb 1.49 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2d9f h VAL 77 CO 0.01 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.79 2d9f n PRO 78 N -5.42 0.49 -0.00 1.57 -0.04 -1.26 -1.92 135.00 128.42 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 0.34 -1.33 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.83 0.13 -4.75 1.53 4.77 0.70 -4.84 117.00 113.71 2d9f n LEU 79 Ca 0.08 -0.11 -0.26 0.00 -0.03 0.00 0.00 56.01 55.69 2d9f n LEU 79 Cb 0.04 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 2d9f n LEU 79 CO 0.06 0.03 -0.25 0.00 -1.33 0.00 0.00 177.39 175.90 2d9f s MET 80 N -2.77 2.72 0.47 3.23 0.23 -0.57 -5.01 119.30 117.61 2d9f s MET 80 Ca -0.03 -0.98 -0.02 0.00 -1.03 0.00 0.00 55.69 53.63 2d9f s MET 80 Cb 0.09 -2.53 -0.01 0.00 -1.53 0.00 0.00 34.83 30.85 2d9f s MET 80 CO 0.55 0.46 0.72 -0.51 -2.03 0.00 0.00 175.02 174.22 2d9f s ASP 81 N -3.13 5.95 -0.38 -1.18 1.01 -1.26 -4.32 116.67 113.36 2d9f s ASP 81 Ca 0.30 0.54 -0.28 0.00 0.71 0.00 0.00 52.55 53.82 2d9f s ASP 81 Cb -0.09 -1.81 -0.01 0.00 1.01 0.00 0.00 42.92 42.02 2d9f s ASP 81 CO 0.22 -0.69 1.69 0.54 0.21 0.00 0.00 175.17 177.14 2d9f s VAL 82 N -2.65 3.59 0.00 -1.27 0.11 -1.24 -2.34 120.40 116.61 2d9f s VAL 82 Ca 0.48 0.59 0.00 0.00 -2.93 0.00 0.00 61.98 60.12 2d9f s VAL 82 Cb -0.10 -3.83 0.00 0.00 -1.53 0.00 0.00 36.38 30.92 2d9f s VAL 82 CO 0.41 -0.56 0.00 0.61 -3.33 0.00 0.00 175.10 172.23 2d9f n GLY 83 N 5.34 1.28 3.17 6.54 0.00 0.21 -4.63 105.19 117.10 2d9f n GLY 83 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.44 2.96 -0.22 1.61 2.12 -0.99 -3.95 118.70 119.80 2d9f s GLU 84 Ca 0.00 -0.87 -0.28 0.00 0.36 0.00 0.00 54.97 54.18 2d9f s GLU 84 Cb 0.00 -2.79 0.00 0.00 0.26 0.00 0.00 34.13 31.60 2d9f s GLU 84 CO 0.00 -0.29 0.98 0.99 -0.54 0.00 0.00 175.26 176.40 2d9f s THR 85 N 1.32 4.74 -0.02 -1.70 2.01 0.27 -3.80 115.64 118.46 2d9f s THR 85 Ca 0.03 1.91 0.02 0.00 0.31 0.00 0.00 61.69 63.96 2d9f s THR 85 Cb -0.15 -4.26 -0.00 0.00 0.01 0.00 0.00 72.50 68.10 2d9f s THR 85 CO -0.08 -0.13 -0.08 0.00 -0.69 0.00 0.00 174.62 173.64 2d9f s ALA 86 N 2.94 0.75 0.16 7.40 0.00 0.13 0.73 121.76 133.87 2d9f s ALA 86 Ca 0.42 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2d9f s ALA 86 Cb -0.15 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 2d9f s ALA 86 CO 0.08 0.15 0.32 1.41 0.00 0.00 0.00 175.76 177.72 2d9f s MET 87 N 0.01 3.48 -0.02 0.00 -2.45 -0.41 -0.55 119.30 119.37 2d9f s MET 87 Ca 0.00 -0.44 0.00 0.00 -1.25 0.00 0.00 55.69 54.00 2d9f s MET 87 Cb -0.06 -2.92 0.02 0.00 1.25 0.00 0.00 34.83 33.13 2d9f s MET 87 CO -0.00 0.48 0.00 0.14 1.05 0.00 0.00 175.02 176.69 2d9f s VAL 88 N -1.76 0.12 -0.30 10.11 -7.23 0.98 -0.53 120.40 121.78 2d9f s VAL 88 Ca 0.37 0.07 -0.00 0.00 -1.81 0.00 0.00 61.98 60.60 2d9f s VAL 88 Cb -0.11 -0.20 0.10 0.00 0.56 0.00 0.00 36.38 36.72 2d9f s VAL 88 CO 0.28 0.11 0.08 0.42 -0.31 0.00 0.00 175.10 175.69 2d9f s THR 89 N 0.77 1.02 0.42 5.32 -4.23 -1.17 -1.79 115.64 115.98 2d9f s THR 89 Ca -0.07 -1.44 0.06 0.00 -1.18 0.00 0.00 61.69 59.06 2d9f s THR 89 Cb -0.10 -1.73 -0.07 0.00 1.34 0.00 0.00 72.50 71.93 2d9f s THR 89 CO -0.02 -0.62 0.01 0.00 -0.54 0.00 0.00 174.62 173.45 2d9f s ALA 90 N 1.55 3.28 0.51 3.99 0.00 -1.25 -3.13 121.76 126.71 2d9f s ALA 90 Ca 0.09 -2.03 -0.18 0.00 0.00 0.00 0.00 51.96 49.84 2d9f s ALA 90 Cb -0.17 0.17 -0.08 0.00 0.00 0.00 0.00 23.12 23.03 2d9f s ALA 90 CO -0.22 -0.11 1.00 0.34 0.00 0.00 0.00 175.76 176.77 2d9f s ASP 91 N -3.73 6.46 0.40 0.00 2.15 -1.26 -3.68 116.67 117.01 2d9f s ASP 91 Ca 0.31 1.72 0.26 0.00 0.43 0.00 0.00 52.55 55.27 2d9f s ASP 91 Cb 0.09 -2.53 1.41 0.00 -0.30 0.00 0.00 42.92 41.59 2d9f s ASP 91 CO 0.16 -0.70 1.57 -1.54 -0.17 0.00 0.00 175.17 174.49 2d9f n SER 92 N -1.35 0.28 -0.29 -0.34 3.41 -1.25 0.57 113.62 114.65 2d9f n SER 92 Ca 0.08 1.53 0.11 0.00 -0.26 0.00 0.00 58.87 60.33 2d9f n SER 92 Cb 0.53 -0.75 0.25 0.00 -0.26 0.00 0.00 64.21 63.99 2d9f n SER 92 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2d9f h LYS 93 N 0.00 0.14 0.00 4.33 2.10 -1.91 1.17 116.57 122.41 2d9f h LYS 93 Ca 0.86 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.50 2d9f h LYS 93 Cb 2.52 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 33.82 2d9f h LYS 93 CO -0.63 0.09 -0.24 0.66 -2.00 0.00 0.00 179.45 177.34 2d9f n TYR 94 N -5.30 0.69 -0.00 0.07 4.01 0.19 -3.83 117.16 112.98 2d9f n TYR 94 Ca 0.19 0.20 -0.00 0.00 -0.16 0.00 0.00 57.90 58.13 2d9f n TYR 94 Cb 0.63 -0.78 -0.00 0.00 -0.31 0.00 0.00 39.34 38.89 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 -2.30 0.00 0.00 0.00 4.02 0.11 -4.62 117.16 114.37 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 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 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 1.73 3.77 0.00 2.72 0.00 -0.28 -4.75 105.19 108.38 2d9f n GLY 97 Ca 0.00 -1.72 0.06 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.63 0.49 -0.09 1.61 -0.04 -1.26 -2.29 135.00 131.79 2d9f n PRO 98 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 2d9f n PRO 98 Cb 0.00 -1.39 -0.14 0.00 -0.04 0.00 0.00 33.50 31.93 2d9f n PRO 98 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d9f n GLN 99 N -0.89 1.14 0.00 0.54 10.64 -1.26 -4.53 117.38 123.02 2d9f n GLN 99 Ca 0.09 -0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 2d9f n GLN 99 Cb 0.04 -1.45 0.00 0.00 -0.86 0.00 0.00 30.24 27.97 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 1.92 1.07 3.83 2.61 0.00 -0.97 -4.64 105.19 109.00 2d9f n GLY 100 Ca -0.28 -2.20 -0.25 0.00 0.00 0.00 0.00 46.02 43.29 2d9f n GLY 100 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d9f s SER 101 N 0.00 4.63 -0.09 1.61 0.15 -1.00 -4.69 113.70 114.32 2d9f s SER 101 Ca 0.00 -1.08 -0.09 0.00 0.70 0.00 0.00 55.95 55.48 2d9f s SER 101 Cb 0.00 -0.16 -0.03 0.00 -1.71 0.00 0.00 66.02 64.11 2d9f s SER 101 CO 0.00 -0.77 -0.18 -1.14 1.20 0.00 0.00 173.24 172.35 2d9f n ARG 102 N -1.49 0.28 -3.33 5.44 3.00 -1.26 -3.96 116.66 115.35 2d9f n ARG 102 Ca -0.01 0.11 -0.08 0.00 -0.00 0.00 0.00 57.85 57.87 2d9f n ARG 102 Cb 0.64 -0.96 -0.07 0.00 0.00 0.00 0.00 32.46 32.07 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 -5.24 0.10 0.61 6.15 0.01 -1.26 -2.76 113.70 111.30 2d9f s SER 103 Ca -0.15 0.23 -0.17 0.00 1.31 0.00 0.00 55.95 57.17 2d9f s SER 103 Cb 0.02 1.22 -0.03 0.00 0.21 0.00 0.00 66.02 67.44 2d9f s SER 103 CO 0.23 -0.30 1.12 -2.16 0.41 0.00 0.00 173.24 172.53 2d9f s PRO 104 N 2.58 3.04 0.30 12.44 0.04 -1.26 -5.14 135.00 146.99 2d9f s PRO 104 Ca 0.13 1.49 -0.17 0.00 0.04 0.00 0.00 61.00 62.49 2d9f s PRO 104 Cb -0.15 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 2d9f s PRO 104 CO -0.18 -1.08 0.75 -0.47 0.04 0.00 0.00 177.00 176.06 2d9f s TYR 105 N -2.09 3.46 -0.09 0.56 6.14 -1.11 -4.66 117.35 119.55 2d9f s TYR 105 Ca 0.69 1.30 -0.10 0.00 0.64 0.00 0.00 57.07 59.60 2d9f s TYR 105 Cb -0.22 -2.58 0.03 0.00 0.42 0.00 0.00 41.96 39.61 2d9f s TYR 105 CO 0.35 0.16 0.27 0.96 0.64 0.00 0.00 175.55 177.93 2d9f s ILE 106 N -1.85 0.01 0.48 3.14 -5.25 -1.25 -4.86 121.20 111.61 2d9f s ILE 106 Ca 0.51 -0.06 -0.22 0.00 -0.99 0.00 0.00 60.65 59.89 2d9f s ILE 106 Cb -0.12 -0.41 -0.07 0.00 2.95 0.00 0.00 42.46 44.81 2d9f s ILE 106 CO 0.18 -0.03 1.16 -2.16 -1.79 0.00 0.00 174.94 172.30 2d9f s PRO 107 N -0.01 3.68 0.68 0.37 0.04 -1.26 -2.36 135.00 136.13 2d9f s PRO 107 Ca -0.01 1.74 -0.14 0.00 0.04 0.00 0.00 61.00 62.62 2d9f s PRO 107 Cb -0.02 -2.32 0.01 0.00 0.04 0.00 0.00 34.50 32.20 2d9f s PRO 107 CO 0.01 -0.61 1.11 -1.25 0.04 0.00 0.00 177.00 176.29 2d9f s PRO 108 N -2.82 2.70 -0.81 0.56 0.04 -1.26 -3.24 135.00 130.17 2d9f s PRO 108 Ca 0.65 1.35 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2d9f s PRO 108 Cb -0.27 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2d9f s PRO 108 CO 0.33 -1.32 0.00 0.72 0.04 0.00 0.00 177.00 176.77 2d9f n HIS 109 N -2.62 -1.49 -3.73 0.56 8.25 -1.26 -4.90 115.22 110.04 2d9f n HIS 109 Ca 0.10 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.19 2d9f n HIS 109 Cb 0.52 -2.32 -0.11 0.00 1.12 0.00 0.00 29.99 29.20 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 -2.42 3.15 0.81 -1.41 0.00 -1.20 -4.79 121.76 115.90 2d9f s ALA 110 Ca 0.00 -2.24 -0.14 0.00 0.00 0.00 0.00 51.96 49.58 2d9f s ALA 110 Cb 0.00 -2.43 0.06 0.00 0.00 0.00 0.00 23.12 20.75 2d9f s ALA 110 CO 0.00 -1.65 1.01 0.00 0.00 0.00 0.00 175.76 175.13 2d9f n ALA 111 N 4.73 -0.53 -3.47 0.00 0.00 -1.26 -3.95 120.51 116.03 2d9f n ALA 111 Ca -0.07 -0.34 -0.13 0.00 0.00 0.00 0.00 53.44 52.89 2d9f n ALA 111 Cb 0.42 -2.14 -0.13 0.00 0.00 0.00 0.00 19.45 17.60 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 -4.30 0.91 -0.06 0.00 1.43 -1.24 -3.26 118.68 112.16 2d9f s LEU 112 Ca 0.70 0.36 -0.27 0.00 -1.03 0.00 0.00 54.13 53.90 2d9f s LEU 112 Cb -0.29 0.52 -0.03 0.00 0.03 0.00 0.00 46.19 46.42 2d9f s LEU 112 CO 0.54 -0.12 0.86 0.00 0.23 0.00 0.00 176.35 177.86 2d9f s LEU 114 N 1.18 1.40 -0.43 0.00 1.43 -0.74 -2.98 118.68 118.54 2d9f s LEU 114 Ca 0.45 -0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 53.18 2d9f s LEU 114 Cb -0.19 -0.76 0.08 0.00 0.03 0.00 0.00 46.19 45.36 2d9f s LEU 114 CO 0.21 -0.04 0.29 -0.70 0.23 0.00 0.00 176.35 176.34 2d9f s GLU 115 N 1.10 2.66 -0.11 1.70 2.12 -1.26 -0.02 118.70 124.89 2d9f s GLU 115 Ca -0.07 -1.46 -0.21 0.00 0.36 0.00 0.00 54.97 53.59 2d9f s GLU 115 Cb -0.14 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.36 2d9f s GLU 115 CO -0.01 -0.98 0.59 0.08 -0.54 0.00 0.00 175.26 174.40 2d9f s VAL 116 N 1.46 5.10 -0.32 3.70 1.01 0.29 -3.66 120.40 127.98 2d9f s VAL 116 Ca 0.03 1.19 -0.00 0.00 0.00 0.00 0.00 61.98 63.20 2d9f s VAL 116 Cb -0.23 -3.93 0.10 0.00 0.00 0.00 0.00 36.38 32.32 2d9f s VAL 116 CO 0.03 0.25 0.11 -0.89 0.00 0.00 0.00 175.10 174.60 2d9f s THR 117 N 0.96 0.98 -0.22 3.92 2.01 -1.18 -0.69 115.64 121.41 2d9f s THR 117 Ca 0.31 -1.56 -0.29 0.00 0.31 0.00 0.00 61.69 60.46 2d9f s THR 117 Cb -0.16 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 2d9f s THR 117 CO 0.13 -0.70 1.73 -0.22 -0.69 0.00 0.00 174.62 174.88 2d9f s LEU 118 N 1.46 3.81 -0.09 4.42 1.98 -1.25 -2.72 118.68 126.29 2d9f s LEU 118 Ca 0.11 1.65 -0.08 0.00 -2.89 0.00 0.00 54.13 52.93 2d9f s LEU 118 Cb -0.18 -3.53 -0.03 0.00 0.66 0.00 0.00 46.19 43.12 2d9f s LEU 118 CO -0.22 -1.40 -0.15 0.29 -1.89 0.00 0.00 176.35 172.99 2d9f n LYS 119 N 7.91 0.28 -3.73 1.98 4.76 -1.10 0.64 118.16 128.90 2d9f n LYS 119 Ca 0.21 0.28 -0.13 0.00 -2.87 0.00 0.00 58.31 55.80 2d9f n LYS 119 Cb 0.45 -1.18 -0.10 0.00 -1.84 0.00 0.00 35.03 32.36 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 -1.89 -0.00 -0.12 -0.18 -4.23 -1.23 -4.30 115.64 103.69 2d9f s THR 120 Ca -0.12 0.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.44 2d9f s THR 120 Cb 0.02 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.30 2d9f s THR 120 CO 0.18 0.01 -0.22 0.00 -0.54 0.00 0.00 174.62 174.04 2d9f s ALA 121 N 0.41 2.24 0.34 3.99 0.00 -1.26 -2.79 121.76 124.68 2d9f s ALA 121 Ca -0.02 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 2d9f s ALA 121 Cb -0.04 -0.91 -0.00 0.00 0.00 0.00 0.00 23.12 22.17 2d9f s ALA 121 CO -0.02 0.18 0.46 0.14 0.00 0.00 0.00 175.76 176.52 2d9f s VAL 122 N 0.51 0.00 -0.12 0.00 -7.23 -0.12 -4.99 120.40 108.44 2d9f s VAL 122 Ca -0.14 -1.63 0.19 0.00 -1.81 0.00 0.00 61.98 58.59 2d9f s VAL 122 Cb -0.17 -2.62 -0.28 0.00 0.56 0.00 0.00 36.38 33.87 2d9f s VAL 122 CO 0.05 0.00 0.24 -0.67 -0.31 0.00 0.00 175.10 174.41 2d9f n ASP 123 N -1.37 0.10 -4.79 4.85 -0.08 -1.26 0.15 116.55 114.15 2d9f n ASP 123 Ca 0.01 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.92 2d9f n ASP 123 Cb 0.62 1.42 -0.06 0.00 2.34 0.00 0.00 41.12 45.43 2d9f n ASP 123 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2d9f s ARG 124 N -2.92 4.49 0.85 -0.67 3.00 -1.26 -4.60 118.95 117.84 2d9f s ARG 124 Ca -0.09 1.16 -0.11 0.00 0.00 0.00 0.00 55.73 56.69 2d9f s ARG 124 Cb 0.09 -2.92 0.10 0.00 0.00 0.00 0.00 34.95 32.22 2d9f s ARG 124 CO 0.85 0.38 1.09 -1.25 0.00 0.00 0.00 175.30 176.37 2d9f s PRO 125 N -1.84 1.63 -0.01 3.54 0.04 -1.26 -4.90 135.00 132.20 2d9f s PRO 125 Ca 0.45 0.95 -0.00 0.00 0.04 0.00 0.00 61.00 62.44 2d9f s PRO 125 Cb -0.19 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 2d9f s PRO 125 CO 0.24 -2.02 -0.01 -0.25 0.04 0.00 0.00 177.00 175.00 2d9f n ASP 126 N -3.75 1.74 -4.59 6.66 9.92 -1.26 -4.97 116.55 120.30 2d9f n ASP 126 Ca 0.08 0.01 -0.42 0.00 -0.53 0.00 0.00 54.79 53.92 2d9f n ASP 126 Cb 0.54 -0.03 -0.02 0.00 -0.64 0.00 0.00 41.12 40.97 2d9f n ASP 126 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2d9f s LEU 127 N -5.63 3.53 0.74 0.64 0.20 -1.26 -4.99 118.68 111.91 2d9f s LEU 127 Ca -0.02 0.62 -0.15 0.00 0.69 0.00 0.00 54.13 55.27 2d9f s LEU 127 Cb 0.01 -3.38 0.04 0.00 -0.43 0.00 0.00 46.19 42.43 2d9f s LEU 127 CO 0.02 -1.52 1.24 -1.84 -0.29 0.00 0.00 176.35 173.96 2d9f n GLU 128 N 8.26 0.57 -3.50 1.98 0.00 -1.26 -5.03 120.64 121.66 2d9f n GLU 128 Ca 0.15 0.26 0.01 0.00 0.00 0.00 0.00 57.16 57.58 2d9f n GLU 128 Cb 0.48 -2.48 -0.05 0.00 0.00 0.00 0.00 31.44 29.39 2d9f n GLU 128 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 2d9f s MET 129 N -3.80 0.23 0.45 3.44 1.75 -1.26 -5.18 119.30 114.93 2d9f s MET 129 Ca 0.77 0.47 0.07 0.00 -1.25 0.00 0.00 55.69 55.75 2d9f s MET 129 Cb -0.33 0.17 0.02 0.00 2.84 0.00 0.00 34.83 37.53 2d9f s MET 129 CO 0.46 -0.06 0.62 -1.12 -0.65 0.00 0.00 175.02 174.27 2d9f s SER 130 N 1.72 5.56 0.00 1.11 0.01 -1.26 -5.07 113.70 115.77 2d9f s SER 130 Ca -0.05 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2d9f s SER 130 Cb -0.04 -0.64 0.00 0.00 0.21 0.00 0.00 66.02 65.55 2d9f s SER 130 CO -0.15 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.25 2d9f n GLY 131 N -1.96 0.17 3.58 3.44 0.00 -1.26 -5.10 105.19 104.06 2d9f n GLY 131 Ca 0.08 0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 2d9f n GLY 131 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d9f s PRO 132 N 0.00 3.07 0.90 1.61 0.04 -1.26 -4.98 135.00 134.38 2d9f s PRO 132 Ca 0.00 1.01 -0.10 0.00 0.04 0.00 0.00 61.00 61.95 2d9f s PRO 132 Cb 0.00 -4.25 0.14 0.00 0.04 0.00 0.00 34.50 30.42 2d9f s PRO 132 CO 0.00 -2.19 1.14 0.45 0.04 0.00 0.00 177.00 176.45 2d9f s SER 133 N 6.63 3.07 0.04 6.66 0.15 -1.26 -4.95 113.70 124.04 2d9f s SER 133 Ca 0.72 2.17 -0.26 0.00 0.70 0.00 0.00 55.95 59.27 2d9f s SER 133 Cb -0.17 -2.56 -0.17 0.00 -1.71 0.00 0.00 66.02 61.40 2d9f s SER 133 CO 0.28 -3.00 1.44 -1.28 1.20 0.00 0.00 173.24 171.88 2d9f h SER 134 N -1.78 -0.29 0.00 5.45 0.87 -2.09 -3.58 113.55 112.14 2d9f h SER 134 Ca -0.43 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 2d9f h SER 134 Cb 1.27 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2d9f h SER 134 CO 0.42 -0.03 0.00 0.61 -0.53 0.00 0.00 176.83 177.30