#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eob s VAL 2 N 0.00 4.36 0.02 2.62 1.01 -1.26 -3.94 120.40 123.20 3eob s VAL 2 Ca 0.00 1.77 0.06 0.00 0.00 0.00 0.00 61.98 63.81 3eob s VAL 2 Cb 0.00 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 3eob s VAL 2 CO 0.00 0.18 -0.17 -1.10 0.00 0.00 0.00 175.10 174.01 3eob s GLN 3 N 0.67 1.23 -0.40 2.72 -1.52 0.16 -4.97 119.66 117.55 3eob s GLN 3 Ca 0.53 -0.74 0.03 0.00 -1.95 0.00 0.00 55.36 53.23 3eob s GLN 3 Cb -0.26 -1.25 0.16 0.00 -0.22 0.00 0.00 33.01 31.45 3eob s GLN 3 CO 0.30 0.33 0.36 -0.51 -0.25 0.00 0.00 175.29 175.51 3eob s LEU 4 N -0.84 0.58 0.35 2.90 1.43 -1.26 -1.18 118.68 120.66 3eob s LEU 4 Ca 0.05 -2.30 -0.11 0.00 -1.03 0.00 0.00 54.13 50.74 3eob s LEU 4 Cb -0.07 0.11 -0.07 0.00 0.03 0.00 0.00 46.19 46.18 3eob s LEU 4 CO 0.01 -0.22 0.72 -0.69 0.23 0.00 0.00 176.35 176.40 3eob s VAL 5 N 0.78 4.79 0.01 -1.59 1.01 -0.80 -3.82 120.40 120.78 3eob s VAL 5 Ca 0.24 0.64 0.01 0.00 0.00 0.00 0.00 61.98 62.88 3eob s VAL 5 Cb -0.09 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 3eob s VAL 5 CO -0.08 -0.36 -0.04 -1.61 0.00 0.00 0.00 175.10 173.01 3eob s GLU 6 N -3.47 0.28 0.30 2.72 2.02 -1.26 -1.00 118.70 118.29 3eob s GLU 6 Ca 0.51 -0.23 -0.08 0.00 0.02 0.00 0.00 54.97 55.19 3eob s GLU 6 Cb -0.10 -0.20 0.00 0.00 0.10 0.00 0.00 34.13 33.93 3eob s GLU 6 CO 0.26 0.05 0.49 -1.54 0.02 0.00 0.00 175.26 174.54 3eob s SER 7 N -0.39 0.40 0.00 -0.19 1.04 -0.74 -4.79 113.70 109.02 3eob s SER 7 Ca -0.02 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.18 3eob s SER 7 Cb -0.03 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.73 3eob s SER 7 CO -0.00 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.57 3eob n GLY 8 N -0.48 1.05 3.91 7.32 0.00 -1.26 0.11 105.19 115.84 3eob n GLY 8 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 3eob n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3eob s GLY 9 N -1.69 1.61 0.00 -0.02 0.00 -1.26 -4.55 107.32 101.41 3eob s GLY 9 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.10 3eob s GLY 9 CO 0.00 -0.33 0.00 0.61 0.00 0.00 0.00 173.10 173.38 3eob n GLY 10 N -2.65 -0.16 3.80 0.20 0.00 -0.42 -4.71 105.19 101.24 3eob n GLY 10 Ca 0.05 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 3eob n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3eob s LEU 11 N 0.00 4.50 -0.21 0.99 1.98 -1.26 -0.21 118.68 124.47 3eob s LEU 11 Ca 0.00 1.49 -0.17 0.00 -2.89 0.00 0.00 54.13 52.56 3eob s LEU 11 Cb 0.00 -3.30 0.06 0.00 0.66 0.00 0.00 46.19 43.61 3eob s LEU 11 CO 0.00 0.17 0.55 0.54 -1.89 0.00 0.00 176.35 175.72 3eob s VAL 12 N -1.26 -0.00 0.10 1.68 0.11 -0.70 -4.93 120.40 115.38 3eob s VAL 12 Ca 0.37 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.13 3eob s VAL 12 Cb -0.20 -0.78 -0.06 0.00 -1.53 0.00 0.00 36.38 33.81 3eob s VAL 12 CO 0.23 0.01 1.13 -1.10 -3.33 0.00 0.00 175.10 172.04 3eob s GLN 13 N 0.70 4.51 0.45 1.54 -1.52 -1.26 -1.96 119.66 122.12 3eob s GLN 13 Ca -0.03 1.70 -0.22 0.00 -1.95 0.00 0.00 55.36 54.86 3eob s GLN 13 Cb -0.05 -3.34 -0.11 0.00 -0.22 0.00 0.00 33.01 29.30 3eob s GLN 13 CO -0.05 -0.11 0.68 -2.30 -0.25 0.00 0.00 175.29 173.26 3eob n PRO 14 N 3.34 0.76 -0.75 2.91 -0.02 -1.26 0.91 135.00 140.89 3eob n PRO 14 Ca 0.06 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3eob n PRO 14 Cb 0.47 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 3eob n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3eob n GLY 15 N 1.61 1.16 0.69 -1.23 0.00 0.10 -4.89 105.19 102.63 3eob n GLY 15 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 3eob n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3eob n GLY 16 N -2.00 1.50 3.19 -0.02 0.00 0.26 -4.27 105.19 103.85 3eob n GLY 16 Ca 0.00 -2.08 -0.11 0.00 0.00 0.00 0.00 46.02 43.82 3eob n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3eob s SER 17 N -1.67 1.12 -0.16 1.61 0.01 -1.26 -2.28 113.70 111.07 3eob s SER 17 Ca 0.11 -1.07 -0.27 0.00 1.31 0.00 0.00 55.95 56.03 3eob s SER 17 Cb -0.01 0.11 0.07 0.00 0.21 0.00 0.00 66.02 66.40 3eob s SER 17 CO 0.07 -0.51 0.68 -0.22 0.41 0.00 0.00 173.24 173.67 3eob s LEU 18 N -3.08 -0.60 -0.15 2.44 2.96 -0.90 -4.93 118.68 114.41 3eob s LEU 18 Ca 0.16 1.06 0.01 0.00 -0.22 0.00 0.00 54.13 55.15 3eob s LEU 18 Cb 0.06 2.41 0.02 0.00 0.50 0.00 0.00 46.19 49.18 3eob s LEU 18 CO -0.02 -0.41 -0.18 -0.60 -1.32 0.00 0.00 176.35 173.83 3eob s ARG 19 N -0.36 2.69 0.16 1.98 3.52 -1.26 -1.02 118.95 124.67 3eob s ARG 19 Ca -0.05 -0.72 -0.05 0.00 -0.13 0.00 0.00 55.73 54.78 3eob s ARG 19 Cb -0.03 -2.32 -0.06 0.00 -1.56 0.00 0.00 34.95 30.99 3eob s ARG 19 CO 0.05 -0.16 0.40 -0.51 -0.81 0.00 0.00 175.30 174.27 3eob s LEU 20 N 1.22 4.24 0.31 -0.88 1.43 -0.47 -4.68 118.68 119.84 3eob s LEU 20 Ca 0.01 0.60 0.10 0.00 -1.03 0.00 0.00 54.13 53.81 3eob s LEU 20 Cb -0.14 -3.34 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 3eob s LEU 20 CO -0.09 0.02 -0.02 -0.44 0.23 0.00 0.00 176.35 176.05 3eob s SER 21 N -2.55 4.21 -0.28 2.29 0.01 0.30 -1.91 113.70 115.76 3eob s SER 21 Ca 0.41 -0.89 0.02 0.00 1.31 0.00 0.00 55.95 56.80 3eob s SER 21 Cb -0.12 -0.59 0.17 0.00 0.21 0.00 0.00 66.02 65.69 3eob s SER 21 CO 0.25 -0.13 0.45 0.00 0.41 0.00 0.00 173.24 174.23 3eob s ALA 23 N 2.62 3.58 -0.13 0.00 0.00 -0.17 -1.77 121.76 125.89 3eob s ALA 23 Ca 0.11 -0.54 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 3eob s ALA 23 Cb -0.13 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 3eob s ALA 23 CO -0.27 -0.67 0.05 0.00 0.00 0.00 0.00 175.76 174.88 3eob s ALA 24 N 2.15 3.45 0.07 0.00 0.00 -1.12 -1.90 121.76 124.42 3eob s ALA 24 Ca 0.22 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.40 3eob s ALA 24 Cb -0.16 -1.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 3eob s ALA 24 CO 0.09 0.42 0.06 -1.12 0.00 0.00 0.00 175.76 175.21 3eob s SER 25 N -0.37 0.34 0.00 0.00 0.01 -0.33 -4.88 113.70 108.47 3eob s SER 25 Ca 0.09 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.46 3eob s SER 25 Cb -0.12 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.37 3eob s SER 25 CO 0.02 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.61 3eob n GLY 26 N 0.03 0.76 3.57 3.44 0.00 -1.25 0.35 105.19 112.08 3eob n GLY 26 Ca -0.14 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 3eob n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3eob s TYR 27 N -2.00 -0.26 -0.92 1.61 -0.85 -1.26 -4.24 117.35 109.43 3eob s TYR 27 Ca 0.00 0.11 -0.25 0.00 -0.52 0.00 0.00 57.07 56.40 3eob s TYR 27 Cb 0.00 0.56 -0.13 0.00 0.38 0.00 0.00 41.96 42.77 3eob s TYR 27 CO 0.00 -0.55 2.19 0.45 -1.52 0.00 0.00 175.55 176.13 3eob s SER 28 N -2.56 4.19 0.27 -0.18 0.15 -1.26 -4.84 113.70 109.47 3eob s SER 28 Ca 0.07 -0.50 -0.07 0.00 0.70 0.00 0.00 55.95 56.15 3eob s SER 28 Cb -0.01 -2.57 0.45 0.00 -1.71 0.00 0.00 66.02 62.18 3eob s SER 28 CO -0.06 -3.73 1.48 0.33 1.20 0.00 0.00 173.24 172.46 3eob n PHE 29 N 17.38 0.35 0.75 3.44 -0.00 -1.26 0.96 117.46 139.09 3eob n PHE 29 Ca 0.44 1.16 0.00 0.00 -0.00 0.00 0.00 57.45 59.04 3eob n PHE 29 Cb 0.45 -1.06 0.00 0.00 -0.00 0.00 0.00 39.48 38.88 3eob n PHE 29 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 3eob n THR 30 N -5.54 0.00 -0.01 -2.13 -2.24 -1.26 -3.29 114.28 99.81 3eob n THR 30 Ca 0.15 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.01 3eob n THR 30 Cb 0.48 -0.26 -0.13 0.00 -2.10 0.00 0.00 70.33 68.32 3eob n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3eob n GLY 31 N 0.16 -0.79 3.18 3.38 0.00 0.27 -4.49 105.19 106.91 3eob n GLY 31 Ca 0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 3eob n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3eob s HIS 32 N -3.16 1.36 0.73 1.61 3.76 -1.21 -5.11 115.29 113.26 3eob s HIS 32 Ca -0.06 -0.40 -0.15 0.00 -0.15 0.00 0.00 55.06 54.30 3eob s HIS 32 Cb 0.11 -0.78 0.04 0.00 1.11 0.00 0.00 32.58 33.06 3eob s HIS 32 CO 0.72 0.07 1.18 -1.58 -0.85 0.00 0.00 174.74 174.28 3eob s TRP 33 N -1.04 2.15 -0.08 1.40 0.52 -1.26 -4.51 118.94 116.12 3eob s TRP 33 Ca 0.02 1.60 0.04 0.00 0.02 0.00 0.00 56.10 57.78 3eob s TRP 33 Cb -0.09 -3.39 0.00 0.00 -1.15 0.00 0.00 33.47 28.84 3eob s TRP 33 CO 0.02 -2.42 -0.20 -1.64 0.02 0.00 0.00 176.95 172.73 3eob s MET 34 N -4.01 2.42 0.46 4.98 -1.94 0.32 -2.49 119.30 119.04 3eob s MET 34 Ca 0.72 -0.71 0.05 0.00 -1.71 0.00 0.00 55.69 54.05 3eob s MET 34 Cb -0.27 -1.92 -0.03 0.00 2.01 0.00 0.00 34.83 34.63 3eob s MET 34 CO 0.45 0.17 0.16 -0.80 -0.01 0.00 0.00 175.02 174.99 3eob s ASN 35 N 0.34 4.33 -0.10 3.03 0.01 0.21 0.41 114.94 123.17 3eob s ASN 35 Ca -0.14 -1.29 -0.03 0.00 -0.71 0.00 0.00 52.86 50.69 3eob s ASN 35 Cb -0.16 -0.05 0.05 0.00 0.41 0.00 0.00 41.25 41.50 3eob s ASN 35 CO 0.06 -0.72 0.09 0.26 -1.51 0.00 0.00 177.10 175.27 3eob s TRP 36 N -2.71 0.09 -0.07 2.20 0.52 -1.06 -2.64 118.94 115.26 3eob s TRP 36 Ca 0.30 0.04 0.06 0.00 0.02 0.00 0.00 56.10 56.52 3eob s TRP 36 Cb 0.03 -0.55 -0.01 0.00 -1.15 0.00 0.00 33.47 31.79 3eob s TRP 36 CO 0.17 -0.35 -0.24 0.08 0.02 0.00 0.00 176.95 176.63 3eob s VAL 37 N 2.17 2.10 0.40 4.03 1.01 0.18 0.15 120.40 130.44 3eob s VAL 37 Ca 0.04 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 61.05 3eob s VAL 37 Cb -0.14 -1.77 -0.07 0.00 0.00 0.00 0.00 36.38 34.41 3eob s VAL 37 CO -0.06 0.57 0.07 0.00 0.00 0.00 0.00 175.10 175.68 3eob s ARG 38 N -0.07 2.06 -0.24 2.72 1.70 -0.52 0.15 118.95 124.75 3eob s ARG 38 Ca -0.06 -1.97 -0.02 0.00 -0.47 0.00 0.00 55.73 53.20 3eob s ARG 38 Cb -0.15 -1.80 0.12 0.00 -0.57 0.00 0.00 34.95 32.56 3eob s ARG 38 CO 0.05 -0.05 0.31 -1.14 -1.08 0.00 0.00 175.30 173.39 3eob s GLN 39 N -3.78 0.29 0.16 3.89 0.74 -0.71 -2.14 119.66 118.11 3eob s GLN 39 Ca 0.37 0.27 -0.31 0.00 0.05 0.00 0.00 55.36 55.74 3eob s GLN 39 Cb 0.06 -0.76 -0.08 0.00 1.10 0.00 0.00 33.01 33.33 3eob s GLN 39 CO 0.20 -0.74 1.38 0.00 -0.55 0.00 0.00 175.29 175.57 3eob s ALA 40 N 2.44 3.58 -0.02 1.58 0.00 -1.26 -0.79 121.76 127.29 3eob s ALA 40 Ca 0.10 1.15 -0.13 0.00 0.00 0.00 0.00 51.96 53.07 3eob s ALA 40 Cb -0.15 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.38 3eob s ALA 40 CO -0.19 -0.61 0.37 -2.30 0.00 0.00 0.00 175.76 173.03 3eob n PRO 41 N 3.37 0.00 -4.40 0.00 -0.02 -1.25 -0.14 135.00 132.57 3eob n PRO 41 Ca 0.09 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.19 3eob n PRO 41 Cb 0.42 -0.49 -0.06 0.00 -0.02 0.00 0.00 33.50 33.35 3eob n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3eob n GLY 42 N 0.59 -0.38 3.26 -1.23 0.00 -1.26 -4.91 105.19 101.25 3eob n GLY 42 Ca 0.07 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 3eob n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3eob s LYS 43 N -7.13 1.21 1.27 1.61 1.02 0.80 -5.18 119.74 113.34 3eob s LYS 43 Ca 0.69 -1.51 -0.17 0.00 0.02 0.00 0.00 55.97 55.00 3eob s LYS 43 Cb -0.39 0.30 0.31 0.00 -0.52 0.00 0.00 37.83 37.53 3eob s LYS 43 CO 0.99 -0.41 1.00 0.20 -0.92 0.00 0.00 175.35 176.20 3eob s GLY 44 N -3.11 1.49 0.56 -3.33 0.00 -1.26 -4.42 107.32 97.24 3eob s GLY 44 Ca 0.33 -0.50 -0.05 0.00 0.00 0.00 0.00 44.72 44.50 3eob s GLY 44 CO 0.09 0.35 0.86 1.08 0.00 0.00 0.00 173.10 175.48 3eob s LEU 45 N -7.41 3.35 -0.24 0.66 1.43 -1.26 -4.09 118.68 111.11 3eob s LEU 45 Ca 0.69 0.71 -0.14 0.00 -1.03 0.00 0.00 54.13 54.36 3eob s LEU 45 Cb -0.19 -3.57 0.07 0.00 0.03 0.00 0.00 46.19 42.53 3eob s LEU 45 CO 0.61 -0.94 0.60 -1.61 0.23 0.00 0.00 176.35 175.24 3eob s GLU 46 N -4.90 0.61 0.03 1.70 2.02 -0.91 -4.99 118.70 112.25 3eob s GLU 46 Ca 0.52 1.08 -0.27 0.00 0.02 0.00 0.00 54.97 56.32 3eob s GLU 46 Cb -0.10 0.10 -0.05 0.00 0.10 0.00 0.00 34.13 34.17 3eob s GLU 46 CO 0.44 -0.15 0.83 -0.46 0.02 0.00 0.00 175.26 175.94 3eob s TRP 47 N 1.52 3.70 -0.13 1.61 -0.00 -1.26 -1.44 118.94 122.94 3eob s TRP 47 Ca -0.10 1.53 -0.10 0.00 -0.00 0.00 0.00 56.10 57.44 3eob s TRP 47 Cb -0.06 -2.92 -0.03 0.00 -0.00 0.00 0.00 33.47 30.46 3eob s TRP 47 CO -0.17 0.17 -0.19 0.28 -0.00 0.00 0.00 176.95 177.04 3eob n VAL 48 N 3.22 1.19 -3.49 5.86 0.31 0.12 -4.70 118.33 120.84 3eob n VAL 48 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 3eob n VAL 48 Cb 0.50 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 3eob n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3eob n GLY 49 N 1.58 1.03 3.17 2.92 0.00 -1.25 -0.25 105.19 112.40 3eob n GLY 49 Ca -0.08 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 3eob n GLY 49 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3eob s MET 50 N -1.48 0.60 -0.01 1.61 0.23 -0.54 -2.58 119.30 117.14 3eob s MET 50 Ca 0.00 -0.43 -0.06 0.00 -1.03 0.00 0.00 55.69 54.17 3eob s MET 50 Cb 0.00 0.26 0.00 0.00 -1.53 0.00 0.00 34.83 33.56 3eob s MET 50 CO 0.00 -0.16 0.12 -1.50 -2.03 0.00 0.00 175.02 171.45 3eob s ILE 51 N -1.79 0.07 -0.32 3.16 2.07 0.17 -1.52 121.20 123.03 3eob s ILE 51 Ca -0.11 -0.57 -0.03 0.00 -1.41 0.00 0.00 60.65 58.53 3eob s ILE 51 Cb -0.05 -0.37 0.05 0.00 0.13 0.00 0.00 42.46 42.22 3eob s ILE 51 CO 0.00 -0.31 0.05 -2.28 -1.91 0.00 0.00 174.94 170.50 3eob s HIS 52 N -1.09 3.29 0.22 3.50 5.65 -0.94 0.12 115.29 126.04 3eob s HIS 52 Ca -0.12 -1.79 -0.02 0.00 0.25 0.00 0.00 55.06 53.38 3eob s HIS 52 Cb -0.06 -2.27 0.46 0.00 -1.18 0.00 0.00 32.58 29.52 3eob s HIS 52 CO 0.01 -0.80 1.17 -2.30 -0.65 0.00 0.00 174.74 172.17 3eob n PRO 53 N 4.68 -0.06 -0.23 2.88 -0.02 -1.26 -1.26 135.00 139.72 3eob n PRO 53 Ca -0.12 1.15 0.15 0.00 -2.02 0.00 0.00 63.50 62.66 3eob n PRO 53 Cb 0.44 -1.76 0.46 0.00 -0.02 0.00 0.00 33.50 32.61 3eob n PRO 53 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3eob h SER 54 N 0.00 0.50 0.00 2.55 4.64 -1.90 -3.33 113.55 116.01 3eob h SER 54 Ca 0.41 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3eob h SER 54 Cb 0.74 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3eob h SER 54 CO -0.74 0.24 0.00 -0.90 -0.87 0.00 0.00 176.83 174.56 3eob n ASP 55 N -4.52 0.00 -0.72 4.97 3.85 -1.16 -5.05 116.55 113.92 3eob n ASP 55 Ca 0.17 -1.00 -0.09 0.00 -0.71 0.00 0.00 54.79 53.16 3eob n ASP 55 Cb 0.56 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.29 3eob n ASP 55 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3eob n SER 56 N 0.00 -4.42 -4.61 -1.12 7.64 -0.39 -4.96 113.62 105.76 3eob n SER 56 Ca 0.00 0.23 -0.45 0.00 1.01 0.00 0.00 58.87 59.66 3eob n SER 56 Cb 0.36 -2.75 -0.04 0.00 -1.01 0.00 0.00 64.21 60.77 3eob n SER 56 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3eob n GLU 57 N -2.34 2.11 -4.69 1.43 2.13 -1.24 -4.67 120.64 113.36 3eob n GLU 57 Ca -0.09 0.69 -0.30 0.00 0.66 0.00 0.00 57.16 58.12 3eob n GLU 57 Cb 0.36 -2.94 -0.14 0.00 0.27 0.00 0.00 31.44 28.99 3eob n GLU 57 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3eob s THR 58 N 6.28 2.20 -0.18 6.31 -4.23 -1.26 -2.22 115.64 122.53 3eob s THR 58 Ca 0.97 -1.54 -0.02 0.00 -1.18 0.00 0.00 61.69 59.92 3eob s THR 58 Cb -0.52 -1.91 0.06 0.00 1.34 0.00 0.00 72.50 71.47 3eob s THR 58 CO 0.43 0.25 0.01 -0.60 -0.54 0.00 0.00 174.62 174.17 3eob s ARG 59 N -1.58 0.83 0.58 3.99 3.52 -0.58 -4.97 118.95 120.74 3eob s ARG 59 Ca 0.13 -0.45 -0.03 0.00 -0.13 0.00 0.00 55.73 55.26 3eob s ARG 59 Cb -0.10 -2.05 0.03 0.00 -1.56 0.00 0.00 34.95 31.27 3eob s ARG 59 CO 0.04 -0.59 0.85 0.71 -0.81 0.00 0.00 175.30 175.50 3eob s TYR 60 N 1.80 3.03 -0.48 5.12 1.51 -1.26 -1.46 117.35 125.60 3eob s TYR 60 Ca -0.01 0.30 -0.18 0.00 -1.01 0.00 0.00 57.07 56.17 3eob s TYR 60 Cb -0.17 -2.79 0.06 0.00 -0.11 0.00 0.00 41.96 38.95 3eob s TYR 60 CO -0.07 -0.91 0.52 1.21 -1.11 0.00 0.00 175.55 175.18 3eob s ASN 61 N -4.39 6.19 0.16 2.29 2.47 0.66 -4.91 114.94 117.41 3eob s ASN 61 Ca 0.56 -1.03 0.09 0.00 0.42 0.00 0.00 52.86 52.90 3eob s ASN 61 Cb -0.10 -2.24 0.56 0.00 -1.45 0.00 0.00 41.25 38.01 3eob s ASN 61 CO 0.41 -0.76 0.64 0.00 -3.72 0.00 0.00 177.10 173.68 3eob n GLN 62 N 5.75 -0.02 -0.27 0.43 10.64 -1.26 0.61 117.38 133.26 3eob n GLN 62 Ca -0.09 0.55 0.08 0.00 -1.83 0.00 0.00 57.00 55.72 3eob n GLN 62 Cb 0.45 -1.01 0.22 0.00 -0.86 0.00 0.00 30.24 29.04 3eob n GLN 62 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 3eob h LYS 63 N 0.00 0.27 -0.01 2.61 3.64 -1.94 -2.33 116.57 118.81 3eob h LYS 63 Ca 0.35 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3eob h LYS 63 Cb 0.96 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 3eob h LYS 63 CO -0.29 0.18 -0.40 1.19 -2.27 0.00 0.00 179.45 177.85 3eob n PHE 64 N -5.16 0.00 -0.37 1.91 3.01 0.20 -4.37 117.46 112.68 3eob n PHE 64 Ca 0.17 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.68 3eob n PHE 64 Cb 0.53 -0.07 0.21 0.00 -0.01 0.00 0.00 39.48 40.14 3eob n PHE 64 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3eob h LYS 65 N 1.55 1.06 0.00 -1.08 3.64 -1.44 -1.95 116.57 118.35 3eob h LYS 65 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3eob h LYS 65 Cb 0.60 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3eob h LYS 65 CO 0.00 0.70 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.43 3eob h ASP 66 N 1.09 -0.04 0.21 4.20 5.19 -1.76 -3.31 116.42 121.99 3eob h ASP 66 Ca 0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.88 3eob h ASP 66 Cb 0.33 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.85 3eob h ASP 66 CO -0.22 -0.01 -0.28 0.54 -3.12 0.00 0.00 179.24 176.15 3eob n ARG 67 N -2.49 0.88 -4.24 3.56 1.74 -1.23 -4.94 116.66 109.95 3eob n ARG 67 Ca -0.00 -0.55 -0.25 0.00 -0.77 0.00 0.00 57.85 56.28 3eob n ARG 67 Cb 0.01 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 29.89 3eob n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3eob s PHE 68 N -2.49 2.80 -0.15 -1.55 0.40 -0.74 -0.68 117.98 115.58 3eob s PHE 68 Ca 0.24 -0.17 -0.07 0.00 -0.60 0.00 0.00 56.93 56.33 3eob s PHE 68 Cb 0.19 -1.31 0.06 0.00 0.51 0.00 0.00 43.02 42.47 3eob s PHE 68 CO 0.52 0.55 0.33 0.99 0.70 0.00 0.00 175.22 178.31 3eob s THR 69 N -1.95 -0.24 -0.16 0.64 2.01 0.65 -4.71 115.64 111.88 3eob s THR 69 Ca 0.29 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.42 3eob s THR 69 Cb -0.08 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.89 3eob s THR 69 CO 0.19 0.07 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.52 3eob s ILE 70 N 1.84 3.81 0.16 1.82 1.01 -1.26 0.90 121.20 129.48 3eob s ILE 70 Ca -0.05 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.22 3eob s ILE 70 Cb -0.11 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 3eob s ILE 70 CO -0.11 0.49 0.03 -0.94 0.00 0.00 0.00 174.94 174.41 3eob s SER 71 N 0.46 0.86 0.25 3.58 1.04 -0.94 -5.01 113.70 113.94 3eob s SER 71 Ca -0.04 -1.19 0.04 0.00 0.48 0.00 0.00 55.95 55.24 3eob s SER 71 Cb -0.14 0.19 -0.05 0.00 0.10 0.00 0.00 66.02 66.11 3eob s SER 71 CO 0.03 -0.64 0.00 0.54 0.98 0.00 0.00 173.24 174.15 3eob s VAL 72 N -3.81 1.08 -0.35 5.02 0.11 -1.26 -1.01 120.40 120.17 3eob s VAL 72 Ca 0.24 -2.04 0.02 0.00 -2.93 0.00 0.00 61.98 57.28 3eob s VAL 72 Cb 0.07 -2.41 0.15 0.00 -1.53 0.00 0.00 36.38 32.66 3eob s VAL 72 CO 0.03 -0.28 0.34 -0.62 -3.33 0.00 0.00 175.10 171.25 3eob s ASP 73 N -3.34 1.50 0.24 3.54 2.15 -0.23 -4.95 116.67 115.58 3eob s ASP 73 Ca 0.30 -1.52 -0.05 0.00 0.43 0.00 0.00 52.55 51.71 3eob s ASP 73 Cb 0.06 0.42 0.40 0.00 -0.30 0.00 0.00 42.92 43.50 3eob s ASP 73 CO 0.10 -0.29 1.75 0.11 -0.17 0.00 0.00 175.17 176.67 3eob h LYS 74 N 7.27 0.49 -0.41 4.34 1.57 -1.86 -1.52 116.57 126.46 3eob h LYS 74 Ca 0.02 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 3eob h LYS 74 Cb 1.05 -0.11 -0.09 0.00 0.08 0.00 0.00 32.23 33.16 3eob h LYS 74 CO 0.23 0.32 -0.26 1.03 -0.57 0.00 0.00 179.45 180.21 3eob h SER 75 N 0.50 -0.87 -0.04 0.86 0.87 -1.96 -2.05 113.55 110.87 3eob h SER 75 Ca 0.38 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 61.12 3eob h SER 75 Cb 0.52 0.44 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 3eob h SER 75 CO -0.35 -0.28 0.00 0.29 -0.53 0.00 0.00 176.83 175.97 3eob n LYS 76 N -5.40 1.65 -3.53 2.24 5.02 -1.04 -4.95 118.16 112.15 3eob n LYS 76 Ca 0.02 -0.95 -0.24 0.00 -2.02 0.00 0.00 58.31 55.13 3eob n LYS 76 Cb 0.32 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.90 3eob n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3eob n ASN 77 N 0.15 -5.89 -3.95 4.39 4.13 -0.60 -4.87 115.26 108.62 3eob n ASN 77 Ca 0.19 -0.83 -0.10 0.00 1.68 0.00 0.00 54.58 55.52 3eob n ASN 77 Cb 0.34 -3.85 -0.11 0.00 -1.54 0.00 0.00 39.78 34.63 3eob n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3eob s THR 78 N -3.35 0.10 -0.05 3.41 2.01 -1.01 -2.80 115.64 113.96 3eob s THR 78 Ca 0.37 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.57 3eob s THR 78 Cb -0.11 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 72.09 3eob s THR 78 CO 0.83 -0.47 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.87 3eob s LEU 79 N -1.43 1.98 0.08 4.42 2.96 -0.73 -1.06 118.68 124.91 3eob s LEU 79 Ca -0.16 -0.42 0.10 0.00 -0.22 0.00 0.00 54.13 53.44 3eob s LEU 79 Cb -0.09 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 3eob s LEU 79 CO -0.00 0.19 -0.27 -0.31 -1.32 0.00 0.00 176.35 174.64 3eob s TYR 80 N -0.06 2.31 -0.22 5.38 4.12 -0.18 -1.80 117.35 126.90 3eob s TYR 80 Ca -0.03 -0.40 -0.00 0.00 0.02 0.00 0.00 57.07 56.66 3eob s TYR 80 Cb -0.12 -1.32 0.06 0.00 -1.52 0.00 0.00 41.96 39.05 3eob s TYR 80 CO 0.03 0.22 -0.03 -1.17 0.02 0.00 0.00 175.55 174.62 3eob s LEU 81 N -1.61 2.20 -0.09 -1.29 2.96 -0.80 -2.21 118.68 117.84 3eob s LEU 81 Ca 0.13 -1.08 -0.17 0.00 -0.22 0.00 0.00 54.13 52.80 3eob s LEU 81 Cb -0.10 -1.03 -0.05 0.00 0.50 0.00 0.00 46.19 45.52 3eob s LEU 81 CO 0.04 -0.25 0.43 -1.58 -1.32 0.00 0.00 176.35 173.67 3eob s GLN 82 N 1.52 4.21 -0.07 1.98 2.00 0.26 -1.37 119.66 128.19 3eob s GLN 82 Ca -0.04 0.39 0.04 0.00 -2.00 0.00 0.00 55.36 53.74 3eob s GLN 82 Cb -0.18 -3.37 0.00 0.00 0.80 0.00 0.00 33.01 30.26 3eob s GLN 82 CO -0.07 0.33 -0.17 -1.64 -0.50 0.00 0.00 175.29 173.24 3eob s MET 83 N 0.09 2.10 0.15 1.67 -1.94 -0.19 -0.25 119.30 120.93 3eob s MET 83 Ca 0.24 -0.61 0.05 0.00 -1.71 0.00 0.00 55.69 53.65 3eob s MET 83 Cb -0.15 -1.71 -0.04 0.00 2.01 0.00 0.00 34.83 34.94 3eob s MET 83 CO 0.10 0.15 -0.10 -0.80 -0.01 0.00 0.00 175.02 174.36 3eob s ASN 84 N 0.35 1.85 -1.46 3.03 0.01 0.15 -2.12 114.94 116.75 3eob s ASN 84 Ca -0.12 -1.01 -0.03 0.00 -0.71 0.00 0.00 52.86 50.99 3eob s ASN 84 Cb -0.15 -0.02 0.03 0.00 0.41 0.00 0.00 41.25 41.52 3eob s ASN 84 CO 0.05 -0.32 0.47 -1.20 -1.51 0.00 0.00 177.10 174.59 3eob n SER 85 N -0.21 -0.84 -4.76 -1.22 7.64 -0.99 -4.77 113.62 108.47 3eob n SER 85 Ca -0.10 -1.01 -0.38 0.00 1.01 0.00 0.00 58.87 58.39 3eob n SER 85 Cb 0.61 -2.97 0.02 0.00 -1.01 0.00 0.00 64.21 60.86 3eob n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3eob s LEU 86 N -7.04 3.88 0.15 -3.43 1.43 -0.97 -4.55 118.68 108.15 3eob s LEU 86 Ca 0.13 2.58 0.02 0.00 -1.03 0.00 0.00 54.13 55.83 3eob s LEU 86 Cb -0.07 -4.30 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 3eob s LEU 86 CO 0.90 -1.36 -0.03 0.00 0.23 0.00 0.00 176.35 176.09 3eob s ARG 87 N -2.88 1.02 0.34 1.70 1.70 -1.26 0.01 118.95 119.57 3eob s ARG 87 Ca 0.70 -1.47 0.12 0.00 -0.47 0.00 0.00 55.73 54.61 3eob s ARG 87 Cb -0.36 -0.28 1.04 0.00 -0.57 0.00 0.00 34.95 34.79 3eob s ARG 87 CO 0.42 -0.08 1.61 0.00 -1.08 0.00 0.00 175.30 176.17 3eob h ALA 88 N 2.78 1.74 0.00 7.88 0.00 -1.97 0.13 119.26 129.82 3eob h ALA 88 Ca -0.36 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3eob h ALA 88 Cb 1.19 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3eob h ALA 88 CO 0.63 -0.70 0.00 -0.85 0.00 0.00 0.00 179.25 178.34 3eob n GLU 89 N -5.26 0.30 -0.16 0.00 0.28 -1.26 -2.06 120.64 112.49 3eob n GLU 89 Ca 0.30 0.08 0.11 0.00 -0.16 0.00 0.00 57.16 57.49 3eob n GLU 89 Cb 0.99 -1.50 0.28 0.00 1.43 0.00 0.00 31.44 32.64 3eob n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3eob n ASP 90 N -1.14 2.63 -4.55 -1.84 8.00 0.45 -4.82 116.55 115.28 3eob n ASP 90 Ca 0.08 -1.88 -0.39 0.00 0.71 0.00 0.00 54.79 53.31 3eob n ASP 90 Cb 0.07 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 40.94 3eob n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3eob s THR 91 N -1.59 3.50 0.07 -3.53 2.01 -0.87 -4.88 115.64 110.34 3eob s THR 91 Ca 0.35 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.59 3eob s THR 91 Cb 0.20 -4.31 -0.00 0.00 0.01 0.00 0.00 72.50 68.39 3eob s THR 91 CO 0.28 -1.27 0.08 0.00 -0.69 0.00 0.00 174.62 173.02 3eob n ALA 92 N 11.53 0.01 -3.09 7.40 0.00 -1.21 -3.95 120.51 131.19 3eob n ALA 92 Ca 0.15 -0.33 -0.39 0.00 0.00 0.00 0.00 53.44 52.87 3eob n ALA 92 Cb 0.51 0.27 -0.12 0.00 0.00 0.00 0.00 19.45 20.11 3eob n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3eob s VAL 93 N -2.41 4.04 0.02 0.00 1.01 0.03 -1.68 120.40 121.41 3eob s VAL 93 Ca 0.06 -1.04 -0.24 0.00 0.00 0.00 0.00 61.98 60.77 3eob s VAL 93 Cb 0.00 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 3eob s VAL 93 CO 0.05 -0.20 0.71 -0.31 0.00 0.00 0.00 175.10 175.35 3eob s TYR 94 N 1.45 3.70 0.06 5.22 1.51 0.26 -1.73 117.35 127.83 3eob s TYR 94 Ca -0.00 1.37 0.10 0.00 -1.01 0.00 0.00 57.07 57.53 3eob s TYR 94 Cb -0.19 -2.76 -0.03 0.00 -0.11 0.00 0.00 41.96 38.86 3eob s TYR 94 CO 0.04 0.27 -0.26 0.71 -1.11 0.00 0.00 175.55 175.20 3eob s TYR 95 N 0.01 2.31 -0.16 2.71 1.51 0.40 -1.13 117.35 123.00 3eob s TYR 95 Ca 0.36 -0.41 -0.02 0.00 -1.01 0.00 0.00 57.07 56.00 3eob s TYR 95 Cb -0.20 -1.36 -0.01 0.00 -0.11 0.00 0.00 41.96 40.28 3eob s TYR 95 CO 0.21 0.17 -0.09 0.00 -1.11 0.00 0.00 175.55 174.73 3eob s ALA 97 N 0.69 1.86 0.09 0.00 0.00 -1.08 -2.05 121.76 121.26 3eob s ALA 97 Ca -0.04 -1.34 -0.14 0.00 0.00 0.00 0.00 51.96 50.44 3eob s ALA 97 Cb -0.15 -0.21 -0.06 0.00 0.00 0.00 0.00 23.12 22.69 3eob s ALA 97 CO 0.02 0.30 0.48 0.50 0.00 0.00 0.00 175.76 177.06 3eob s ARG 98 N -2.27 3.93 0.20 0.00 3.52 0.75 -0.62 118.95 124.46 3eob s ARG 98 Ca 0.10 0.41 0.11 0.00 -0.13 0.00 0.00 55.73 56.22 3eob s ARG 98 Cb -0.08 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 3eob s ARG 98 CO 0.05 0.56 -0.21 0.20 -0.81 0.00 0.00 175.30 175.08 3eob s GLY 99 N -1.55 1.64 -0.32 8.12 0.00 -1.04 -2.65 107.32 111.52 3eob s GLY 99 Ca 0.33 -1.64 -0.08 0.00 0.00 0.00 0.00 44.72 43.33 3eob s GLY 99 CO 0.18 -1.69 0.12 -0.42 0.00 0.00 0.00 173.10 171.29 3eob s ILE 100 N -1.97 4.08 -1.78 0.90 1.09 -0.66 -4.12 121.20 118.74 3eob s ILE 100 Ca 0.21 -0.82 0.29 0.00 -1.10 0.00 0.00 60.65 59.23 3eob s ILE 100 Cb -0.07 -3.19 0.52 0.00 -1.06 0.00 0.00 42.46 38.66 3eob s ILE 100 CO 0.10 -0.05 1.89 0.00 -0.10 0.00 0.00 174.94 176.78 3eob n TYR 101 N 4.88 0.00 -0.15 3.97 9.36 -1.26 -3.10 117.16 130.86 3eob n TYR 101 Ca -0.13 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.05 3eob n TYR 101 Cb 0.47 -0.14 0.05 0.00 -0.63 0.00 0.00 39.34 39.09 3eob n TYR 101 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3eob h PHE 102 N 0.69 0.32 -3.48 2.98 0.04 -1.92 -3.43 116.94 112.12 3eob h PHE 102 Ca 0.00 0.02 -0.67 0.00 2.80 0.00 0.00 57.97 60.13 3eob h PHE 102 Cb 0.33 -0.07 -0.26 0.00 2.20 0.00 0.00 35.95 38.14 3eob h PHE 102 CO 0.00 0.12 -0.77 0.71 -0.60 0.00 0.00 178.31 177.76 3eob s TYR 103 N -6.14 2.77 0.00 -0.55 1.51 -1.26 -4.97 117.35 108.71 3eob s TYR 103 Ca -0.13 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.37 3eob s TYR 103 Cb 0.14 -1.79 0.00 0.00 -0.11 0.00 0.00 41.96 40.20 3eob s TYR 103 CO 0.73 -0.13 0.00 0.41 -1.11 0.00 0.00 175.55 175.44 3eob n GLY 104 N 3.25 3.05 0.00 0.71 0.00 -1.26 -4.10 105.19 106.84 3eob n GLY 104 Ca -0.18 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3eob n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3eob n THR 105 N 0.00 0.00 -3.60 2.61 -2.24 -1.26 -5.05 114.28 104.73 3eob n THR 105 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 3eob n THR 105 Cb 0.00 -0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 67.47 3eob n THR 105 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3eob s THR 106 N 0.00 0.01 -0.07 4.28 2.01 -1.26 -4.15 115.64 116.45 3eob s THR 106 Ca 0.00 -0.05 -0.05 0.00 0.31 0.00 0.00 61.69 61.90 3eob s THR 106 Cb 0.00 -0.92 0.03 0.00 0.01 0.00 0.00 72.50 71.62 3eob s THR 106 CO 0.00 -0.03 0.17 -0.72 -0.69 0.00 0.00 174.62 173.36 3eob s TYR 107 N -0.52 -0.20 0.06 4.92 -0.85 -1.18 -4.93 117.35 114.65 3eob s TYR 107 Ca -0.06 0.51 -0.30 0.00 -0.52 0.00 0.00 57.07 56.70 3eob s TYR 107 Cb -0.03 0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.29 3eob s TYR 107 CO 0.05 -0.13 0.98 -0.06 -1.52 0.00 0.00 175.55 174.87 3eob s PHE 108 N 0.57 3.72 -0.14 -3.49 0.40 -1.26 -1.65 117.98 116.13 3eob s PHE 108 Ca -0.04 1.73 0.11 0.00 -0.60 0.00 0.00 56.93 58.14 3eob s PHE 108 Cb -0.05 -3.10 -0.16 0.00 0.51 0.00 0.00 43.02 40.21 3eob s PHE 108 CO -0.03 0.04 0.03 -0.40 0.70 0.00 0.00 175.22 175.56 3eob n ASP 109 N 3.37 1.70 -4.17 1.36 5.75 -1.09 -4.95 116.55 118.52 3eob n ASP 109 Ca 0.04 -0.01 -0.29 0.00 -0.01 0.00 0.00 54.79 54.52 3eob n ASP 109 Cb 0.50 0.74 -0.17 0.00 -1.03 0.00 0.00 41.12 41.17 3eob n ASP 109 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3eob s TYR 110 N -2.33 2.12 0.50 2.11 2.02 -1.26 -5.03 117.35 115.48 3eob s TYR 110 Ca -0.08 -0.76 0.02 0.00 -0.37 0.00 0.00 57.07 55.88 3eob s TYR 110 Cb 0.04 -1.44 -0.02 0.00 -0.40 0.00 0.00 41.96 40.14 3eob s TYR 110 CO 0.55 -0.30 0.01 -1.58 -1.57 0.00 0.00 175.55 172.66 3eob s TRP 111 N 0.25 1.95 0.29 2.71 0.52 -1.26 -0.17 118.94 123.22 3eob s TRP 111 Ca -0.12 -0.92 0.08 0.00 0.02 0.00 0.00 56.10 55.16 3eob s TRP 111 Cb -0.15 -1.62 -0.04 0.00 -1.15 0.00 0.00 33.47 30.50 3eob s TRP 111 CO 0.05 0.25 0.14 0.20 0.02 0.00 0.00 176.95 177.61 3eob s GLY 112 N -3.85 1.67 0.33 0.98 0.00 -0.87 -4.60 107.32 100.98 3eob s GLY 112 Ca 0.10 -1.62 0.01 0.00 0.00 0.00 0.00 44.72 43.20 3eob s GLY 112 CO 0.05 -1.63 1.98 0.06 0.00 0.00 0.00 173.10 173.57 3eob h GLN 113 N 1.59 0.94 0.00 2.90 -0.00 -1.91 -3.45 115.11 115.18 3eob h GLN 113 Ca -0.45 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.14 3eob h GLN 113 Cb 1.25 -0.21 0.00 0.00 -0.00 0.00 0.00 27.48 28.51 3eob h GLN 113 CO 0.61 0.62 0.00 0.41 -0.00 0.00 0.00 178.83 180.47 3eob n GLY 114 N -1.42 2.79 3.10 0.06 0.00 -1.26 -5.03 105.19 103.43 3eob n GLY 114 Ca 0.08 -1.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.18 3eob n GLY 114 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3eob s THR 115 N -2.11 0.80 -0.14 2.61 -1.32 -0.28 -4.91 115.64 110.29 3eob s THR 115 Ca 0.00 -1.02 -0.07 0.00 -1.21 0.00 0.00 61.69 59.39 3eob s THR 115 Cb 0.00 -0.79 -0.04 0.00 -1.51 0.00 0.00 72.50 70.16 3eob s THR 115 CO 0.00 -0.20 0.10 -0.22 -2.21 0.00 0.00 174.62 172.09 3eob s LEU 116 N -1.35 4.09 -0.27 9.08 0.20 -1.26 0.91 118.68 130.08 3eob s LEU 116 Ca -0.04 0.28 0.03 0.00 0.69 0.00 0.00 54.13 55.09 3eob s LEU 116 Cb -0.09 -2.01 0.07 0.00 -0.43 0.00 0.00 46.19 43.74 3eob s LEU 116 CO 0.01 0.31 -0.05 -0.69 -0.29 0.00 0.00 176.35 175.63 3eob s VAL 117 N -0.41 1.99 -0.51 1.68 1.01 -0.68 -1.31 120.40 122.18 3eob s VAL 117 Ca 0.11 -1.69 -0.17 0.00 0.00 0.00 0.00 61.98 60.22 3eob s VAL 117 Cb -0.12 -2.23 0.08 0.00 0.00 0.00 0.00 36.38 34.11 3eob s VAL 117 CO 0.02 -0.20 0.54 -0.89 0.00 0.00 0.00 175.10 174.57 3eob s THR 118 N 1.15 5.03 -0.66 3.92 2.01 0.71 -3.35 115.64 124.46 3eob s THR 118 Ca -0.03 -0.87 -0.23 0.00 0.31 0.00 0.00 61.69 60.87 3eob s THR 118 Cb -0.19 -4.26 0.06 0.00 0.01 0.00 0.00 72.50 68.12 3eob s THR 118 CO -0.07 -0.77 1.00 -0.69 -0.69 0.00 0.00 174.62 173.40 3eob s VAL 119 N 2.17 4.26 0.08 3.82 1.01 -1.26 -1.73 120.40 128.76 3eob s VAL 119 Ca 0.09 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 3eob s VAL 119 Cb -0.23 -4.70 -0.00 0.00 0.00 0.00 0.00 36.38 31.45 3eob s VAL 119 CO 0.08 -1.47 0.18 -0.55 0.00 0.00 0.00 175.10 173.34 3eob s SER 120 N 3.61 0.14 -0.07 3.32 0.15 -0.83 -4.55 113.70 115.46 3eob s SER 120 Ca 0.24 -0.66 0.06 0.00 0.70 0.00 0.00 55.95 56.30 3eob s SER 120 Cb -0.15 0.33 0.30 0.00 -1.71 0.00 0.00 66.02 64.79 3eob s SER 120 CO 0.12 -0.71 1.03 -1.54 1.20 0.00 0.00 173.24 173.33 3eob n SER 121 N -0.01 2.58 -4.85 5.45 3.41 -1.26 -4.23 113.62 114.70 3eob n SER 121 Ca -0.15 -2.29 -0.21 0.00 -0.26 0.00 0.00 58.87 55.95 3eob n SER 121 Cb 0.62 -0.50 -0.04 0.00 -0.26 0.00 0.00 64.21 64.03 3eob n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3eob s ALA 122 N -1.67 3.97 0.18 7.33 0.00 -1.26 -5.13 121.76 125.19 3eob s ALA 122 Ca 0.21 -1.92 0.05 0.00 0.00 0.00 0.00 51.96 50.30 3eob s ALA 122 Cb 0.15 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 3eob s ALA 122 CO 0.07 -0.21 0.17 -1.12 0.00 0.00 0.00 175.76 174.67 3eob s SER 123 N -4.09 5.60 1.15 0.00 0.01 -1.26 -4.94 113.70 110.17 3eob s SER 123 Ca 0.47 -0.13 -0.14 0.00 1.31 0.00 0.00 55.95 57.46 3eob s SER 123 Cb -0.02 -1.48 0.24 0.00 0.21 0.00 0.00 66.02 64.97 3eob s SER 123 CO 0.27 0.04 0.78 0.35 0.41 0.00 0.00 173.24 175.09 3eob n THR 124 N -0.58 0.00 -3.63 1.44 -2.24 -1.26 -4.87 114.28 103.14 3eob n THR 124 Ca -0.08 -0.38 -0.01 0.00 -2.27 0.00 0.00 64.05 61.31 3eob n THR 124 Cb 0.55 -0.90 -0.04 0.00 -2.10 0.00 0.00 70.33 67.85 3eob n THR 124 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3eob s LYS 125 N -4.18 0.57 0.55 -0.78 2.36 -0.24 -4.88 119.74 113.14 3eob s LYS 125 Ca 0.65 1.43 -0.20 0.00 -2.55 0.00 0.00 55.97 55.30 3eob s LYS 125 Cb -0.22 0.86 -0.05 0.00 -1.05 0.00 0.00 37.83 37.37 3eob s LYS 125 CO 0.65 -0.21 1.20 0.20 1.55 0.00 0.00 175.35 178.74 3eob s GLY 126 N 2.89 2.75 0.52 5.54 0.00 -1.26 -2.45 107.32 115.30 3eob s GLY 126 Ca -0.05 1.00 -0.13 0.00 0.00 0.00 0.00 44.72 45.54 3eob s GLY 126 CO -0.19 1.41 0.94 2.56 0.00 0.00 0.00 173.10 177.82 3eob s PRO 127 N -3.12 3.77 -0.15 2.90 0.04 -1.25 -4.56 135.00 132.63 3eob s PRO 127 Ca 0.73 0.72 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 3eob s PRO 127 Cb -0.30 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 32.04 3eob s PRO 127 CO 0.34 -0.31 -0.12 -1.12 0.04 0.00 0.00 177.00 175.83 3eob s SER 128 N -3.52 4.00 -0.43 6.66 0.01 -0.49 -4.93 113.70 114.99 3eob s SER 128 Ca 0.55 -0.36 -0.09 0.00 1.31 0.00 0.00 55.95 57.35 3eob s SER 128 Cb -0.10 -1.62 0.09 0.00 0.21 0.00 0.00 66.02 64.59 3eob s SER 128 CO 0.39 0.12 0.28 -0.69 0.41 0.00 0.00 173.24 173.75 3eob s VAL 129 N 0.62 4.27 0.02 3.43 1.01 -1.26 -0.49 120.40 128.00 3eob s VAL 129 Ca -0.07 -1.45 -0.01 0.00 0.00 0.00 0.00 61.98 60.45 3eob s VAL 129 Cb -0.15 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3eob s VAL 129 CO 0.03 -0.56 0.15 -0.36 0.00 0.00 0.00 175.10 174.36 3eob s PHE 130 N 1.42 3.44 0.07 5.22 0.40 -1.17 -4.93 117.98 122.43 3eob s PHE 130 Ca 0.04 0.26 -0.21 0.00 -0.60 0.00 0.00 56.93 56.42 3eob s PHE 130 Cb -0.24 -1.77 -0.07 0.00 0.51 0.00 0.00 43.02 41.46 3eob s PHE 130 CO 0.02 0.60 0.61 -1.25 0.70 0.00 0.00 175.22 175.89 3eob s PRO 131 N -2.08 4.29 -1.08 0.24 0.04 -1.26 -0.32 135.00 134.82 3eob s PRO 131 Ca 0.28 0.80 -0.04 0.00 0.04 0.00 0.00 61.00 62.08 3eob s PRO 131 Cb -0.13 -3.27 0.31 0.00 0.04 0.00 0.00 34.50 31.45 3eob s PRO 131 CO 0.20 0.56 1.46 1.28 0.04 0.00 0.00 177.00 180.54 3eob n LEU 132 N 1.97 6.38 -4.48 -3.56 4.77 -0.18 -4.88 117.00 117.01 3eob n LEU 132 Ca -0.09 -5.21 -0.40 0.00 -0.03 0.00 0.00 56.01 50.29 3eob n LEU 132 Cb 0.50 -1.29 0.02 0.00 -2.33 0.00 0.00 43.42 40.33 3eob n LEU 132 CO 0.43 1.67 0.12 0.00 -1.33 0.00 0.00 177.39 178.28 3eob n ALA 133 N 1.40 -1.12 -1.01 -1.18 0.00 -1.26 -1.93 120.51 115.41 3eob n ALA 133 Ca 0.26 0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.46 3eob n ALA 133 Cb 0.33 -1.84 0.14 0.00 0.00 0.00 0.00 19.45 18.09 3eob n ALA 133 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3eob s PRO 134 N -1.90 1.33 0.21 0.00 0.04 -1.26 -4.88 135.00 128.54 3eob s PRO 134 Ca 0.66 1.17 -0.32 0.00 0.04 0.00 0.00 61.00 62.55 3eob s PRO 134 Cb -0.51 -1.79 -0.14 0.00 0.04 0.00 0.00 34.50 32.09 3eob s PRO 134 CO 0.56 -2.29 1.30 0.45 0.04 0.00 0.00 177.00 177.06 3eob n SER 135 N -3.96 2.13 -0.09 6.66 2.88 -1.26 -5.07 113.62 114.91 3eob n SER 135 Ca 0.09 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 3eob n SER 135 Cb 0.53 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 3eob n SER 135 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3eob n SER 136 N 2.13 0.00 -3.80 -3.46 2.88 -1.26 -5.11 113.62 105.00 3eob n SER 136 Ca 0.13 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.25 3eob n SER 136 Cb 0.28 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.75 3eob n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3eob n GLY 142 N -0.27 5.34 3.28 0.46 0.00 -1.26 -5.30 105.19 107.44 3eob n GLY 142 Ca 0.00 -2.43 -0.13 0.00 0.00 0.00 0.00 46.02 43.46 3eob n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3eob s THR 143 N -2.25 -0.00 0.22 2.61 2.01 -1.26 -3.28 115.64 113.69 3eob s THR 143 Ca 0.38 0.02 0.09 0.00 0.31 0.00 0.00 61.69 62.49 3eob s THR 143 Cb 0.12 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 3eob s THR 143 CO -0.00 0.01 -0.03 0.00 -0.69 0.00 0.00 174.62 173.91 3eob s ALA 144 N 0.39 3.11 -0.04 7.40 0.00 0.12 -4.72 121.76 128.02 3eob s ALA 144 Ca -0.01 -1.52 0.06 0.00 0.00 0.00 0.00 51.96 50.49 3eob s ALA 144 Cb -0.04 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 3eob s ALA 144 CO -0.01 0.38 -0.24 0.00 0.00 0.00 0.00 175.76 175.89 3eob s ALA 145 N -1.99 2.02 -0.05 0.00 0.00 -1.26 -1.78 121.76 118.70 3eob s ALA 145 Ca 0.28 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 3eob s ALA 145 Cb -0.08 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.47 3eob s ALA 145 CO 0.18 0.43 0.24 -0.48 0.00 0.00 0.00 175.76 176.13 3eob s LEU 146 N -0.30 1.13 0.00 0.00 0.05 -1.11 -4.21 118.68 114.24 3eob s LEU 146 Ca 0.01 0.23 0.00 0.00 0.05 0.00 0.00 54.13 54.42 3eob s LEU 146 Cb -0.12 0.91 0.00 0.00 -2.05 0.00 0.00 46.19 44.93 3eob s LEU 146 CO 0.02 -0.24 0.00 0.61 -0.55 0.00 0.00 176.35 176.18 3eob n GLY 147 N 2.18 4.34 2.83 -3.48 0.00 -0.81 -1.84 105.19 108.40 3eob n GLY 147 Ca -0.17 -1.35 -0.23 0.00 0.00 0.00 0.00 46.02 44.27 3eob n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3eob s LEU 149 N 1.63 6.34 -0.33 0.00 2.96 0.56 -1.73 118.68 128.11 3eob s LEU 149 Ca 0.00 -2.37 -0.29 0.00 -0.22 0.00 0.00 54.13 51.26 3eob s LEU 149 Cb -0.13 -2.24 -0.01 0.00 0.50 0.00 0.00 46.19 44.30 3eob s LEU 149 CO -0.04 -0.73 1.70 -0.69 -1.32 0.00 0.00 176.35 175.27 3eob s VAL 150 N 0.92 3.59 0.16 1.68 1.01 -0.39 -3.07 120.40 124.30 3eob s VAL 150 Ca 0.17 0.60 0.08 0.00 0.00 0.00 0.00 61.98 62.83 3eob s VAL 150 Cb -0.14 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3eob s VAL 150 CO -0.06 -0.46 -0.07 -0.75 0.00 0.00 0.00 175.10 173.76 3eob s LYS 151 N 5.38 2.18 0.00 2.72 2.20 0.36 -1.62 119.74 130.96 3eob s LYS 151 Ca 0.75 -1.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 3eob s LYS 151 Cb -0.21 -2.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 3eob s LYS 151 CO 0.33 0.46 0.00 -0.25 -0.36 0.00 0.00 175.35 175.53 3eob n ASP 152 N 0.15 -3.33 -3.66 1.43 8.00 -1.01 -1.40 116.55 116.72 3eob n ASP 152 Ca -0.11 0.81 -0.10 0.00 0.71 0.00 0.00 54.79 56.10 3eob n ASP 152 Cb 0.55 -1.25 -0.03 0.00 -0.02 0.00 0.00 41.12 40.36 3eob n ASP 152 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3eob s TYR 153 N 0.00 -0.26 -0.29 1.24 -0.85 -1.19 -3.86 117.35 112.14 3eob s TYR 153 Ca 0.00 -0.06 -0.16 0.00 -0.52 0.00 0.00 57.07 56.33 3eob s TYR 153 Cb 0.00 0.49 0.14 0.00 0.38 0.00 0.00 41.96 42.97 3eob s TYR 153 CO 0.00 -0.95 0.95 0.12 -1.52 0.00 0.00 175.55 174.15 3eob s PHE 154 N -3.84 -0.63 0.00 -3.49 5.36 -1.03 -0.88 117.98 113.48 3eob s PHE 154 Ca 0.07 1.25 0.00 0.00 -0.96 0.00 0.00 56.93 57.28 3eob s PHE 154 Cb -0.02 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 43.04 3eob s PHE 154 CO -0.04 -0.31 0.00 -0.35 -1.46 0.00 0.00 175.22 173.06 3eob n PRO 155 N 3.81 3.09 -2.21 10.12 -0.04 -1.26 -1.08 135.00 147.42 3eob n PRO 155 Ca -0.18 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.01 3eob n PRO 155 Cb 0.58 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.09 3eob n PRO 155 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3eob s GLU 156 N 2.69 2.50 0.29 0.54 2.02 -1.26 -4.85 118.70 120.62 3eob s GLU 156 Ca 0.00 -0.06 0.02 0.00 0.02 0.00 0.00 54.97 54.95 3eob s GLU 156 Cb 0.00 -2.17 0.02 0.00 0.10 0.00 0.00 34.13 32.08 3eob s GLU 156 CO 0.00 -1.06 0.15 -0.35 0.02 0.00 0.00 175.26 174.02 3eob n PRO 157 N -2.85 1.15 -4.25 0.39 -0.04 -1.26 -4.86 135.00 123.28 3eob n PRO 157 Ca 0.07 -1.90 -0.19 0.00 -0.04 0.00 0.00 63.50 61.44 3eob n PRO 157 Cb 0.59 0.31 -0.15 0.00 -0.04 0.00 0.00 33.50 34.21 3eob n PRO 157 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3eob s VAL 158 N -1.64 0.59 -0.31 0.52 -7.23 -1.26 -4.52 120.40 106.54 3eob s VAL 158 Ca 0.11 -0.25 -0.08 0.00 -1.81 0.00 0.00 61.98 59.96 3eob s VAL 158 Cb -0.01 -0.54 0.01 0.00 0.56 0.00 0.00 36.38 36.41 3eob s VAL 158 CO 0.07 0.19 0.11 0.42 -0.31 0.00 0.00 175.10 175.59 3eob s THR 159 N 0.26 4.12 -0.13 5.32 -4.23 -0.78 -4.90 115.64 115.30 3eob s THR 159 Ca -0.03 -0.72 -0.02 0.00 -1.18 0.00 0.00 61.69 59.74 3eob s THR 159 Cb -0.08 -3.17 -0.02 0.00 1.34 0.00 0.00 72.50 70.57 3eob s THR 159 CO 0.00 0.01 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.32 3eob s VAL 160 N 1.51 3.57 -0.03 2.29 1.01 -1.25 -1.55 120.40 125.95 3eob s VAL 160 Ca 0.02 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 3eob s VAL 160 Cb -0.18 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.68 3eob s VAL 160 CO 0.04 0.52 0.11 -0.94 0.00 0.00 0.00 175.10 174.83 3eob s SER 161 N 0.20 -0.08 0.06 3.32 1.04 -1.08 -4.89 113.70 112.27 3eob s SER 161 Ca -0.04 0.13 -0.06 0.00 0.48 0.00 0.00 55.95 56.45 3eob s SER 161 Cb -0.14 0.23 -0.05 0.00 0.10 0.00 0.00 66.02 66.15 3eob s SER 161 CO 0.04 -0.11 0.32 0.26 0.98 0.00 0.00 173.24 174.73 3eob s TRP 162 N -0.24 3.55 -1.65 5.02 0.52 -1.26 0.17 118.94 125.05 3eob s TRP 162 Ca -0.03 0.58 -0.09 0.00 0.02 0.00 0.00 56.10 56.58 3eob s TRP 162 Cb -0.02 -2.01 0.09 0.00 -1.15 0.00 0.00 33.47 30.38 3eob s TRP 162 CO 0.00 0.55 0.35 0.09 0.02 0.00 0.00 176.95 177.96 3eob n ASN 163 N 0.75 -0.64 -3.72 2.95 4.13 -0.50 -0.74 115.26 117.50 3eob n ASN 163 Ca -0.08 -1.19 -0.22 0.00 1.68 0.00 0.00 54.58 54.77 3eob n ASN 163 Cb 0.52 -1.99 0.03 0.00 -1.54 0.00 0.00 39.78 36.81 3eob n ASN 163 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3eob n SER 164 N -2.75 -1.63 0.00 6.41 7.64 -1.26 -1.03 113.62 121.00 3eob n SER 164 Ca -0.14 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 58.93 3eob n SER 164 Cb 0.60 -4.06 0.00 0.00 -1.01 0.00 0.00 64.21 59.73 3eob n SER 164 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3eob n GLY 165 N -1.59 0.61 1.24 0.23 0.00 0.08 -4.84 105.19 100.92 3eob n GLY 165 Ca -0.26 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.72 3eob n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3eob n ALA 166 N 1.00 3.11 -3.15 4.61 0.00 -0.19 -4.43 120.51 121.45 3eob n ALA 166 Ca 0.00 -0.56 0.05 0.00 0.00 0.00 0.00 53.44 52.93 3eob n ALA 166 Cb 0.02 -1.09 -0.00 0.00 0.00 0.00 0.00 19.45 18.38 3eob n ALA 166 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3eob s LEU 167 N -0.64 -0.84 -0.00 0.00 2.96 -1.23 -4.90 118.68 114.03 3eob s LEU 167 Ca 0.11 0.19 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 3eob s LEU 167 Cb 0.09 1.57 -0.03 0.00 0.50 0.00 0.00 46.19 48.33 3eob s LEU 167 CO 0.02 -0.15 0.05 0.35 -1.32 0.00 0.00 176.35 175.30 3eob n THR 168 N 5.28 0.00 -2.18 3.68 -2.24 -1.26 -4.38 114.28 113.18 3eob n THR 168 Ca 0.05 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 3eob n THR 168 Cb 0.55 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 69.31 3eob n THR 168 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3eob s SER 169 N -2.05 6.83 -1.44 3.42 0.01 -1.26 -3.00 113.70 116.21 3eob s SER 169 Ca -0.00 2.30 0.00 0.00 1.31 0.00 0.00 55.95 59.56 3eob s SER 169 Cb 0.01 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.66 3eob s SER 169 CO 0.08 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.69 3eob n GLY 170 N 3.51 0.72 3.64 3.44 0.00 -1.26 -4.68 105.19 110.56 3eob n GLY 170 Ca 0.12 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 3eob n GLY 170 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3eob s VAL 171 N -2.64 5.20 -0.34 1.61 1.01 -1.16 -2.51 120.40 121.57 3eob s VAL 171 Ca 0.00 0.60 0.04 0.00 0.00 0.00 0.00 61.98 62.62 3eob s VAL 171 Cb 0.00 -3.70 0.10 0.00 0.00 0.00 0.00 36.38 32.78 3eob s VAL 171 CO 0.00 0.21 0.05 -1.00 0.00 0.00 0.00 175.10 174.36 3eob s HIS 172 N 1.65 3.62 -0.57 5.22 3.76 0.11 -5.00 115.29 124.08 3eob s HIS 172 Ca 0.16 -2.91 -0.21 0.00 -0.15 0.00 0.00 55.06 51.96 3eob s HIS 172 Cb -0.15 -2.82 0.07 0.00 1.11 0.00 0.00 32.58 30.79 3eob s HIS 172 CO 0.08 -0.94 0.79 0.99 -0.85 0.00 0.00 174.74 174.81 3eob s THR 173 N 0.95 4.63 0.35 1.30 2.01 -1.26 -1.66 115.64 121.96 3eob s THR 173 Ca 0.10 -0.40 -0.27 0.00 0.31 0.00 0.00 61.69 61.43 3eob s THR 173 Cb -0.19 -4.48 -0.09 0.00 0.01 0.00 0.00 72.50 67.75 3eob s THR 173 CO -0.09 -1.09 1.17 -0.36 -0.69 0.00 0.00 174.62 173.56 3eob s PHE 174 N 3.26 3.22 0.60 4.92 0.40 -1.15 -4.98 117.98 124.26 3eob s PHE 174 Ca 0.19 1.57 -0.19 0.00 -0.60 0.00 0.00 56.93 57.90 3eob s PHE 174 Cb -0.18 -3.41 -0.04 0.00 0.51 0.00 0.00 43.02 39.89 3eob s PHE 174 CO 0.12 -1.18 1.04 -2.30 0.70 0.00 0.00 175.22 173.60 3eob n PRO 175 N 0.56 1.00 -2.37 0.24 -0.02 -1.26 -4.37 135.00 128.77 3eob n PRO 175 Ca 0.02 0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 3eob n PRO 175 Cb 0.45 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 3eob n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3eob s ALA 176 N -1.47 3.44 -0.17 3.55 0.00 -1.26 -4.76 121.76 121.09 3eob s ALA 176 Ca 0.76 0.99 -0.05 0.00 0.00 0.00 0.00 51.96 53.66 3eob s ALA 176 Cb -0.42 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 3eob s ALA 176 CO 0.46 -0.32 0.01 0.54 0.00 0.00 0.00 175.76 176.45 3eob s VAL 177 N -0.79 4.28 -0.22 0.00 0.11 -0.56 -4.86 120.40 118.37 3eob s VAL 177 Ca 0.48 -0.22 -0.22 0.00 -2.93 0.00 0.00 61.98 59.09 3eob s VAL 177 Cb -0.34 -2.90 -0.02 0.00 -1.53 0.00 0.00 36.38 31.59 3eob s VAL 177 CO 0.42 0.48 0.71 -0.22 -3.33 0.00 0.00 175.10 173.15 3eob s LEU 178 N 0.38 4.10 0.54 2.54 2.96 -1.26 -2.53 118.68 125.42 3eob s LEU 178 Ca -0.01 0.89 0.09 0.00 -0.22 0.00 0.00 54.13 54.87 3eob s LEU 178 Cb -0.13 -3.00 0.07 0.00 0.50 0.00 0.00 46.19 43.62 3eob s LEU 178 CO 0.02 -0.39 0.74 0.00 -1.32 0.00 0.00 176.35 175.41 3eob s GLN 179 N 2.39 2.42 0.54 1.98 -2.07 -1.06 -4.99 119.66 118.85 3eob s GLN 179 Ca 0.31 -1.49 0.25 0.00 -1.82 0.00 0.00 55.36 52.61 3eob s GLN 179 Cb -0.16 -2.66 1.41 0.00 -1.09 0.00 0.00 33.01 30.52 3eob s GLN 179 CO 0.09 -0.73 2.02 0.66 -1.32 0.00 0.00 175.29 176.01 3eob h SER 180 N 0.26 0.00 0.00 12.60 4.64 -1.97 -2.36 113.55 126.73 3eob h SER 180 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3eob h SER 180 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3eob h SER 180 CO 0.42 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.84 3eob n SER 181 N -4.30 0.91 0.00 4.97 3.41 -1.26 -4.81 113.62 112.53 3eob n SER 181 Ca 0.07 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.20 3eob n SER 181 Cb 0.53 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3eob n SER 181 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3eob n GLY 182 N 0.19 0.00 3.74 5.00 0.00 -0.89 -4.92 105.19 108.31 3eob n GLY 182 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3eob n GLY 182 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3eob s LEU 183 N 0.00 3.37 0.57 0.99 1.43 -1.26 -4.94 118.68 118.84 3eob s LEU 183 Ca 0.00 -0.63 0.09 0.00 -1.03 0.00 0.00 54.13 52.56 3eob s LEU 183 Cb 0.00 -1.89 0.08 0.00 0.03 0.00 0.00 46.19 44.42 3eob s LEU 183 CO 0.00 -0.20 0.79 -0.31 0.23 0.00 0.00 176.35 176.86 3eob s TYR 184 N -2.34 1.53 -0.30 0.29 1.51 -0.06 -2.58 117.35 115.40 3eob s TYR 184 Ca 0.36 -0.67 -0.17 0.00 -1.01 0.00 0.00 57.07 55.57 3eob s TYR 184 Cb -0.05 -2.27 0.18 0.00 -0.11 0.00 0.00 41.96 39.72 3eob s TYR 184 CO 0.23 -1.13 1.15 0.45 -1.11 0.00 0.00 175.55 175.14 3eob s SER 185 N -4.65 -0.31 0.00 2.29 0.15 -1.05 -2.41 113.70 107.72 3eob s SER 185 Ca 0.62 0.42 0.01 0.00 0.70 0.00 0.00 55.95 57.70 3eob s SER 185 Cb -0.06 1.35 -0.01 0.00 -1.71 0.00 0.00 66.02 65.60 3eob s SER 185 CO 0.39 -0.06 -0.04 -1.48 1.20 0.00 0.00 173.24 173.25 3eob s LEU 186 N 2.26 2.05 -0.21 3.45 0.05 -0.64 -1.49 118.68 124.14 3eob s LEU 186 Ca -0.01 -0.13 -0.03 0.00 0.05 0.00 0.00 54.13 54.00 3eob s LEU 186 Cb -0.03 -0.14 -0.01 0.00 -2.05 0.00 0.00 46.19 43.96 3eob s LEU 186 CO -0.17 -0.01 -0.06 -0.94 -0.55 0.00 0.00 176.35 174.63 3eob s SER 187 N -0.31 4.24 -0.48 1.48 1.04 -1.26 -1.27 113.70 117.14 3eob s SER 187 Ca -0.01 -0.39 -0.17 0.00 0.48 0.00 0.00 55.95 55.86 3eob s SER 187 Cb -0.03 -1.72 0.07 0.00 0.10 0.00 0.00 66.02 64.44 3eob s SER 187 CO -0.00 0.00 0.48 -0.55 0.98 0.00 0.00 173.24 174.15 3eob s SER 188 N 1.35 6.18 0.26 7.02 0.15 -0.71 -2.94 113.70 125.02 3eob s SER 188 Ca 0.04 -1.15 0.06 0.00 0.70 0.00 0.00 55.95 55.60 3eob s SER 188 Cb -0.14 -2.22 -0.03 0.00 -1.71 0.00 0.00 66.02 61.92 3eob s SER 188 CO -0.03 -0.73 0.32 0.68 1.20 0.00 0.00 173.24 174.68 3eob s VAL 189 N 2.02 4.73 -0.18 4.45 -7.23 -0.66 -2.34 120.40 121.18 3eob s VAL 189 Ca 0.08 -1.14 -0.11 0.00 -1.81 0.00 0.00 61.98 59.01 3eob s VAL 189 Cb -0.22 -3.62 0.06 0.00 0.56 0.00 0.00 36.38 33.16 3eob s VAL 189 CO 0.09 -0.30 0.44 0.54 -0.31 0.00 0.00 175.10 175.56 3eob s VAL 190 N -2.08 -0.02 -0.03 1.32 0.11 -0.77 0.08 120.40 119.02 3eob s VAL 190 Ca 0.36 0.07 -0.16 0.00 -2.93 0.00 0.00 61.98 59.31 3eob s VAL 190 Cb -0.08 -0.64 -0.05 0.00 -1.53 0.00 0.00 36.38 34.07 3eob s VAL 190 CO 0.28 0.03 0.44 0.42 -3.33 0.00 0.00 175.10 172.94 3eob s THR 191 N 1.20 5.05 0.13 5.04 -4.23 -1.04 -2.74 115.64 119.05 3eob s THR 191 Ca -0.08 0.91 -0.04 0.00 -1.18 0.00 0.00 61.69 61.30 3eob s THR 191 Cb -0.07 -3.76 -0.03 0.00 1.34 0.00 0.00 72.50 69.98 3eob s THR 191 CO -0.11 0.49 0.13 0.68 -0.54 0.00 0.00 174.62 175.27 3eob s VAL 192 N -0.50 0.11 0.51 2.29 -7.23 -0.73 -4.80 120.40 110.04 3eob s VAL 192 Ca 0.25 -1.68 -0.20 0.00 -1.81 0.00 0.00 61.98 58.53 3eob s VAL 192 Cb -0.16 -1.86 -0.09 0.00 0.56 0.00 0.00 36.38 34.82 3eob s VAL 192 CO 0.13 -0.49 0.74 -2.65 -0.31 0.00 0.00 175.10 172.52 3eob n PRO 193 N -0.10 0.81 0.13 4.82 -0.02 -1.26 -0.70 135.00 138.67 3eob n PRO 193 Ca -0.08 0.30 0.13 0.00 -2.02 0.00 0.00 63.50 61.83 3eob n PRO 193 Cb 0.63 -1.85 0.42 0.00 -0.02 0.00 0.00 33.50 32.69 3eob n PRO 193 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3eob h SER 194 N 0.72 0.00 0.09 2.55 4.64 -1.83 -3.32 113.55 116.40 3eob h SER 194 Ca -0.45 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3eob h SER 194 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3eob h SER 194 CO 0.51 0.00 -0.04 0.77 -0.87 0.00 0.00 176.83 177.20 3eob h SER 195 N 0.00 -0.10 0.00 4.97 4.64 -1.89 -3.34 113.55 117.83 3eob h SER 195 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3eob h SER 195 Cb 0.65 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3eob h SER 195 CO 0.00 0.33 0.00 -1.54 -0.87 0.00 0.00 176.83 174.75 3eob n SER 196 N -4.58 0.00 -4.61 4.97 3.41 -1.25 -4.65 113.62 106.91 3eob n SER 196 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.17 3eob n SER 196 Cb 0.05 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 3eob n SER 196 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3eob s LEU 197 N -0.73 3.87 0.00 1.04 1.43 -1.26 -2.21 118.68 120.82 3eob s LEU 197 Ca 0.00 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 3eob s LEU 197 Cb 0.00 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 42.77 3eob s LEU 197 CO 0.00 -0.99 0.00 0.61 0.23 0.00 0.00 176.35 176.20 3eob n GLY 198 N 4.34 1.07 0.00 -3.19 0.00 -1.26 -4.87 105.19 101.28 3eob n GLY 198 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3eob n GLY 198 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3eob n THR 199 N -1.01 0.01 -4.91 2.61 5.66 -1.20 -5.02 114.28 110.42 3eob n THR 199 Ca 0.00 -0.03 -0.33 0.00 -3.05 0.00 0.00 64.05 60.65 3eob n THR 199 Cb 0.00 0.31 -0.13 0.00 -1.55 0.00 0.00 70.33 68.95 3eob n THR 199 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3eob s GLN 200 N -2.07 2.56 0.03 1.09 -1.52 -0.94 -5.12 119.66 113.69 3eob s GLN 200 Ca -0.00 -0.71 -0.14 0.00 -1.95 0.00 0.00 55.36 52.56 3eob s GLN 200 Cb 0.01 -2.38 -0.06 0.00 -0.22 0.00 0.00 33.01 30.36 3eob s GLN 200 CO 0.04 0.58 0.43 0.99 -0.25 0.00 0.00 175.29 177.08 3eob s THR 201 N -0.63 5.01 -0.24 -0.19 2.01 -1.26 -4.88 115.64 115.46 3eob s THR 201 Ca 0.09 0.78 -0.02 0.00 0.31 0.00 0.00 61.69 62.86 3eob s THR 201 Cb -0.11 -3.71 0.08 0.00 0.01 0.00 0.00 72.50 68.76 3eob s THR 201 CO 0.01 0.49 0.06 -0.31 -0.69 0.00 0.00 174.62 174.18 3eob s TYR 202 N -1.18 1.30 -0.09 4.92 4.12 -1.26 -4.96 117.35 120.20 3eob s TYR 202 Ca 0.27 -1.21 0.03 0.00 0.02 0.00 0.00 57.07 56.18 3eob s TYR 202 Cb -0.16 -1.28 0.01 0.00 -1.52 0.00 0.00 41.96 39.01 3eob s TYR 202 CO 0.15 -0.72 -0.18 0.42 0.02 0.00 0.00 175.55 175.24 3eob s ILE 203 N 1.76 1.62 0.31 2.71 1.01 -1.26 0.26 121.20 127.60 3eob s ILE 203 Ca 0.03 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 3eob s ILE 203 Cb -0.17 -1.44 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 3eob s ILE 203 CO -0.15 0.46 0.59 0.00 0.00 0.00 0.00 174.94 175.84 3eob s ASN 205 N -3.13 5.40 0.10 0.00 0.01 0.44 -2.41 114.94 115.35 3eob s ASN 205 Ca 0.45 -3.69 -0.30 0.00 -0.71 0.00 0.00 52.86 48.62 3eob s ASN 205 Cb -0.11 -1.78 -0.06 0.00 0.41 0.00 0.00 41.25 39.71 3eob s ASN 205 CO 0.30 -0.16 1.08 -0.69 -1.51 0.00 0.00 177.10 176.12 3eob s VAL 206 N -1.26 4.21 -0.00 1.60 1.01 -0.96 -2.62 120.40 122.38 3eob s VAL 206 Ca 0.25 1.74 0.04 0.00 0.00 0.00 0.00 61.98 64.01 3eob s VAL 206 Cb -0.08 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 3eob s VAL 206 CO -0.13 0.22 -0.14 0.21 0.00 0.00 0.00 175.10 175.26 3eob s ASN 207 N 0.43 1.62 -0.43 3.32 2.47 -0.59 -2.37 114.94 119.39 3eob s ASN 207 Ca 0.52 -0.28 0.05 0.00 0.42 0.00 0.00 52.86 53.56 3eob s ASN 207 Cb -0.27 -0.17 0.18 0.00 -1.45 0.00 0.00 41.25 39.54 3eob s ASN 207 CO 0.31 0.15 0.42 1.57 -3.72 0.00 0.00 177.10 175.82 3eob n HIS 208 N 2.60 -1.45 -0.24 0.43 -0.00 -0.45 -1.87 115.22 114.24 3eob n HIS 208 Ca -0.15 -2.96 0.05 0.00 -0.00 0.00 0.00 57.72 54.66 3eob n HIS 208 Cb 0.55 0.47 0.17 0.00 -0.00 0.00 0.00 29.99 31.18 3eob n HIS 208 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 3eob h LYS 209 N 5.46 0.27 -0.15 1.57 1.57 -1.81 -2.49 116.57 120.98 3eob h LYS 209 Ca 0.22 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3eob h LYS 209 Cb 0.94 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3eob h LYS 209 CO 0.31 0.18 0.00 -2.30 -0.57 0.00 0.00 179.45 177.07 3eob n PRO 210 N -5.14 0.20 0.00 3.15 -0.02 -1.26 -1.61 135.00 130.31 3eob n PRO 210 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3eob n PRO 210 Cb 0.43 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 3eob n PRO 210 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3eob n SER 211 N 0.19 0.00 -3.00 2.55 2.88 -1.06 -4.73 113.62 110.45 3eob n SER 211 Ca 0.00 -0.51 -0.08 0.00 -1.33 0.00 0.00 58.87 56.95 3eob n SER 211 Cb 0.04 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.51 3eob n SER 211 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3eob n ASN 212 N 0.00 -7.65 -3.68 -3.46 3.02 -0.63 -4.96 115.26 97.90 3eob n ASN 212 Ca 0.00 0.23 -0.24 0.00 -0.03 0.00 0.00 54.58 54.54 3eob n ASN 212 Cb 0.13 -5.02 -0.17 0.00 -0.61 0.00 0.00 39.78 34.11 3eob n ASN 212 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3eob s THR 213 N -2.69 0.11 -0.50 3.41 2.01 -1.09 -5.04 115.64 111.85 3eob s THR 213 Ca 0.16 -0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.16 3eob s THR 213 Cb -0.04 -0.55 0.13 0.00 0.01 0.00 0.00 72.50 72.05 3eob s THR 213 CO 0.77 -0.05 0.25 -0.54 -0.69 0.00 0.00 174.62 174.37 3eob s LYS 214 N 2.06 1.80 -0.27 4.92 1.02 -1.26 -1.34 119.74 126.67 3eob s LYS 214 Ca 0.03 -2.47 -0.09 0.00 0.02 0.00 0.00 55.97 53.46 3eob s LYS 214 Cb -0.15 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.06 3eob s LYS 214 CO -0.07 -1.12 0.14 0.08 -0.92 0.00 0.00 175.35 173.46 3eob s VAL 215 N -0.12 4.87 -0.87 3.17 1.01 -1.00 -5.03 120.40 122.43 3eob s VAL 215 Ca 0.17 -0.00 -0.09 0.00 0.00 0.00 0.00 61.98 62.06 3eob s VAL 215 Cb -0.26 -3.31 0.22 0.00 0.00 0.00 0.00 36.38 33.03 3eob s VAL 215 CO 0.00 0.27 0.79 -1.81 0.00 0.00 0.00 175.10 174.35 3eob s ASP 216 N 1.69 6.48 -0.24 3.32 1.01 -1.26 -2.28 116.67 125.40 3eob s ASP 216 Ca 0.07 -3.10 -0.24 0.00 0.71 0.00 0.00 52.55 49.99 3eob s ASP 216 Cb -0.16 -2.09 -0.01 0.00 1.01 0.00 0.00 42.92 41.67 3eob s ASP 216 CO 0.08 -0.40 0.78 -0.75 0.21 0.00 0.00 175.17 175.09 3eob s LYS 217 N -0.46 4.18 0.04 8.23 2.47 -1.01 -4.88 119.74 128.30 3eob s LYS 217 Ca 0.22 0.86 -0.20 0.00 -1.56 0.00 0.00 55.97 55.29 3eob s LYS 217 Cb -0.12 -3.64 -0.06 0.00 -1.46 0.00 0.00 37.83 32.56 3eob s LYS 217 CO -0.08 -0.47 0.59 0.21 0.16 0.00 0.00 175.35 175.76 3eob s LYS 218 N 2.68 4.27 -0.37 4.03 2.20 -1.26 -0.47 119.74 130.82 3eob s LYS 218 Ca 0.33 0.75 -0.16 0.00 -0.36 0.00 0.00 55.97 56.54 3eob s LYS 218 Cb -0.15 -3.29 -0.00 0.00 -1.51 0.00 0.00 37.83 32.87 3eob s LYS 218 CO 0.08 0.50 0.37 0.08 -0.36 0.00 0.00 175.35 176.01 3eob s VAL 219 N -0.64 5.16 0.00 4.02 1.01 0.72 -4.90 120.40 125.78 3eob s VAL 219 Ca 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 3eob s VAL 219 Cb -0.19 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.31 3eob s VAL 219 CO 0.18 -0.20 0.00 -0.62 0.00 0.00 0.00 175.10 174.47