#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3e s ARG 2 N 0.00 0.81 -0.03 -0.41 0.52 -1.26 -4.93 118.95 113.65 3h3e s ARG 2 Ca 0.00 0.33 0.04 0.00 -0.52 0.00 0.00 55.73 55.58 3h3e s ARG 2 Cb 0.00 0.38 -0.01 0.00 0.52 0.00 0.00 34.95 35.85 3h3e s ARG 2 CO 0.00 -0.23 -0.15 0.42 0.02 0.00 0.00 175.30 175.36 3h3e s ILE 3 N -0.86 1.23 -0.08 1.52 1.01 0.22 -0.91 121.20 123.33 3h3e s ILE 3 Ca -0.05 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 59.97 3h3e s ILE 3 Cb -0.01 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.43 3h3e s ILE 3 CO 0.04 0.36 -0.08 -1.00 0.00 0.00 0.00 174.94 174.26 3h3e s HIS 4 N -0.09 1.32 -0.30 3.97 3.76 0.85 -0.97 115.29 123.83 3h3e s HIS 4 Ca 0.00 -0.56 -0.29 0.00 -0.15 0.00 0.00 55.06 54.06 3h3e s HIS 4 Cb -0.09 -1.07 0.01 0.00 1.11 0.00 0.00 32.58 32.54 3h3e s HIS 4 CO 0.01 -0.38 1.14 0.08 -0.85 0.00 0.00 174.74 174.74 3h3e s VAL 5 N 1.27 4.42 -0.03 -0.90 1.01 -0.14 0.03 120.40 126.06 3h3e s VAL 5 Ca -0.04 1.65 0.22 0.00 0.00 0.00 0.00 61.98 63.81 3h3e s VAL 5 Cb -0.14 -4.32 -0.33 0.00 0.00 0.00 0.00 36.38 31.59 3h3e s VAL 5 CO -0.03 -0.43 0.47 0.18 0.00 0.00 0.00 175.10 175.29 3h3e n LEU 6 N 6.97 0.00 -3.74 3.92 4.77 0.11 -4.25 117.00 124.77 3h3e n LEU 6 Ca 0.13 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 3h3e n LEU 6 Cb 0.47 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 3h3e n LEU 6 CO 0.59 0.00 0.05 0.00 -1.33 0.00 0.00 177.39 176.70 3h3e s ASP 8 N 0.29 -0.17 0.34 0.00 2.15 -1.17 -1.79 116.67 116.33 3h3e s ASP 8 Ca -0.01 -0.31 0.15 0.00 0.43 0.00 0.00 52.55 52.81 3h3e s ASP 8 Cb -0.03 0.41 0.60 0.00 -0.30 0.00 0.00 42.92 43.60 3h3e s ASP 8 CO -0.00 -0.75 1.72 0.44 -0.17 0.00 0.00 175.17 176.41 3h3e h ASP 9 N 2.00 0.00 -1.39 -0.34 5.19 -1.64 -2.39 116.42 117.85 3h3e h ASP 9 Ca -0.25 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.68 3h3e h ASP 9 Cb 1.23 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.72 3h3e h ASP 9 CO 0.26 0.46 -0.32 -0.44 -3.12 0.00 0.00 179.24 176.08 3h3e s SER 10 N -6.70 5.18 -0.08 6.45 0.01 -1.26 -4.52 113.70 112.79 3h3e s SER 10 Ca -0.01 -0.70 -0.31 0.00 1.31 0.00 0.00 55.95 56.24 3h3e s SER 10 Cb 0.13 -0.47 0.09 0.00 0.21 0.00 0.00 66.02 65.97 3h3e s SER 10 CO 0.72 -0.75 0.77 -0.94 0.41 0.00 0.00 173.24 173.44 3h3e s SER 11 N -4.23 -0.58 0.45 2.44 1.04 -1.26 -1.08 113.70 110.48 3h3e s SER 11 Ca 0.50 0.65 -0.07 0.00 0.48 0.00 0.00 55.95 57.50 3h3e s SER 11 Cb -0.05 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.51 3h3e s SER 11 CO 0.29 -0.53 0.78 -1.58 0.98 0.00 0.00 173.24 173.18 3h3e s GLN 12 N -1.14 3.63 -0.18 4.02 2.00 -1.26 -4.86 119.66 121.87 3h3e s GLN 12 Ca -0.08 0.30 -0.39 0.00 -2.00 0.00 0.00 55.36 53.19 3h3e s GLN 12 Cb -0.00 -2.38 -0.16 0.00 0.80 0.00 0.00 33.01 31.27 3h3e s GLN 12 CO 0.08 -0.14 1.65 0.09 -0.50 0.00 0.00 175.29 176.46 3h3e n ASN 13 N -1.89 2.26 0.00 6.67 3.02 -1.26 -1.60 115.26 122.46 3h3e n ASN 13 Ca 0.01 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.64 3h3e n ASN 13 Cb 0.55 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 38.55 3h3e n ASN 13 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h3e n GLY 14 N 3.78 1.31 3.89 7.41 0.00 -1.26 -5.07 105.19 115.24 3h3e n GLY 14 Ca 0.24 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3h3e n GLY 14 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h3e s PHE 15 N -1.54 3.59 0.46 1.61 0.08 -0.62 -5.04 117.98 116.51 3h3e s PHE 15 Ca 0.00 0.51 -0.06 0.00 0.12 0.00 0.00 56.93 57.50 3h3e s PHE 15 Cb 0.00 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.47 3h3e s PHE 15 CO 0.00 0.69 0.77 -1.21 -0.10 0.00 0.00 175.22 175.36 3h3e s GLU 16 N -1.43 3.59 0.01 0.44 2.02 -1.26 -4.60 118.70 117.47 3h3e s GLU 16 Ca 0.21 0.23 0.01 0.00 0.02 0.00 0.00 54.97 55.44 3h3e s GLU 16 Cb -0.13 -2.40 -0.01 0.00 0.10 0.00 0.00 34.13 31.70 3h3e s GLU 16 CO 0.11 -0.15 -0.03 -1.54 0.02 0.00 0.00 175.26 173.67 3h3e s SER 17 N -3.89 0.30 0.26 -0.19 1.04 -1.26 -4.73 113.70 105.23 3h3e s SER 17 Ca 0.48 -0.30 -0.04 0.00 0.48 0.00 0.00 55.95 56.57 3h3e s SER 17 Cb -0.10 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 3h3e s SER 17 CO 0.42 -0.15 0.32 -1.83 0.98 0.00 0.00 173.24 172.98 3h3e s GLU 18 N -0.86 1.52 -0.75 4.02 -1.05 -0.90 -4.99 118.70 115.69 3h3e s GLU 18 Ca -0.08 -1.59 -0.26 0.00 -0.15 0.00 0.00 54.97 52.89 3h3e s GLU 18 Cb -0.06 0.37 -0.01 0.00 -0.44 0.00 0.00 34.13 33.99 3h3e s GLU 18 CO -0.00 -0.58 1.77 -1.58 0.95 0.00 0.00 175.26 175.81 3h3e s HIS 19 N -3.79 1.87 0.00 4.83 5.65 -1.26 -2.57 115.29 120.01 3h3e s HIS 19 Ca 0.33 0.48 0.00 0.00 0.25 0.00 0.00 55.06 56.12 3h3e s HIS 19 Cb 0.03 -4.21 0.00 0.00 -1.18 0.00 0.00 32.58 27.22 3h3e s HIS 19 CO 0.15 -2.08 0.00 0.41 -0.65 0.00 0.00 174.74 172.56 3h3e n GLY 20 N 6.08 0.78 3.10 1.59 0.00 -1.26 -4.46 105.19 111.02 3h3e n GLY 20 Ca 0.25 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 3h3e n GLY 20 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3h3e s PHE 21 N -2.00 1.30 -0.25 1.61 5.36 -1.04 -3.04 117.98 119.91 3h3e s PHE 21 Ca 0.00 -0.27 -0.15 0.00 -0.96 0.00 0.00 56.93 55.54 3h3e s PHE 21 Cb 0.00 -0.85 0.07 0.00 -0.34 0.00 0.00 43.02 41.90 3h3e s PHE 21 CO 0.00 -0.05 0.63 0.45 -1.46 0.00 0.00 175.22 174.79 3h3e s SER 22 N -0.22 -0.83 -0.02 6.13 0.15 -0.74 -1.47 113.70 116.70 3h3e s SER 22 Ca 0.03 1.36 -0.00 0.00 0.70 0.00 0.00 55.95 58.04 3h3e s SER 22 Cb -0.07 1.25 0.03 0.00 -1.71 0.00 0.00 66.02 65.52 3h3e s SER 22 CO -0.00 -0.23 0.03 0.54 1.20 0.00 0.00 173.24 174.78 3h3e s VAL 23 N 1.44 -0.05 -0.18 4.45 0.11 -0.27 0.04 120.40 125.94 3h3e s VAL 23 Ca -0.09 0.23 -0.24 0.00 -2.93 0.00 0.00 61.98 58.96 3h3e s VAL 23 Cb -0.06 -0.10 -0.02 0.00 -1.53 0.00 0.00 36.38 34.68 3h3e s VAL 23 CO -0.16 0.10 0.76 -0.22 -3.33 0.00 0.00 175.10 172.25 3h3e s LEU 24 N 1.18 4.16 -0.41 2.54 2.96 0.10 -0.71 118.68 128.51 3h3e s LEU 24 Ca -0.08 1.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.92 3h3e s LEU 24 Cb -0.13 -3.11 0.11 0.00 0.50 0.00 0.00 46.19 43.56 3h3e s LEU 24 CO -0.03 -0.36 0.14 -0.69 -1.32 0.00 0.00 176.35 174.09 3h3e s VAL 25 N 2.11 2.19 0.00 1.68 1.01 -0.11 -0.10 120.40 127.17 3h3e s VAL 25 Ca 0.35 -2.61 0.00 0.00 0.00 0.00 0.00 61.98 59.72 3h3e s VAL 25 Cb -0.16 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.64 3h3e s VAL 25 CO 0.11 -0.70 0.00 -0.67 0.00 0.00 0.00 175.10 173.85 3h3e n ASP 26 N 3.86 0.00 -1.44 3.32 2.03 -0.09 -2.02 116.55 122.20 3h3e n ASP 26 Ca 0.04 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.43 3h3e n ASP 26 Cb 0.38 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 41.11 3h3e n ASP 26 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3h3e n SER 27 N 9.91 4.69 -3.88 1.67 3.41 -1.26 -4.92 113.62 123.24 3h3e n SER 27 Ca 0.00 -2.65 -0.12 0.00 -0.26 0.00 0.00 58.87 55.84 3h3e n SER 27 Cb 0.00 -0.57 -0.13 0.00 -0.26 0.00 0.00 64.21 63.25 3h3e n SER 27 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h3e s VAL 28 N -2.22 0.02 -0.24 -3.33 0.11 -0.86 -4.62 120.40 109.26 3h3e s VAL 28 Ca 0.48 -0.18 -0.09 0.00 -2.93 0.00 0.00 61.98 59.26 3h3e s VAL 28 Cb 0.34 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 35.05 3h3e s VAL 28 CO 0.18 -0.10 0.13 -0.22 -3.33 0.00 0.00 175.10 171.76 3h3e s LEU 29 N -0.28 3.89 -0.42 2.54 2.96 -0.31 -0.93 118.68 126.13 3h3e s LEU 29 Ca -0.03 0.02 -0.15 0.00 -0.22 0.00 0.00 54.13 53.74 3h3e s LEU 29 Cb -0.02 -2.04 0.03 0.00 0.50 0.00 0.00 46.19 44.66 3h3e s LEU 29 CO -0.00 0.05 0.31 0.12 -1.32 0.00 0.00 176.35 175.50 3h3e s PHE 30 N 1.16 3.24 0.37 5.38 5.36 0.11 -0.17 117.98 133.43 3h3e s PHE 30 Ca 0.06 -0.64 0.00 0.00 -0.96 0.00 0.00 56.93 55.39 3h3e s PHE 30 Cb -0.14 -2.65 0.00 0.00 -0.34 0.00 0.00 43.02 39.89 3h3e s PHE 30 CO 0.05 -0.62 0.00 -0.25 -1.46 0.00 0.00 175.22 172.94 3h3e n ASP 31 N 5.16 -5.75 -0.55 6.13 8.00 0.37 -1.11 116.55 128.80 3h3e n ASP 31 Ca -0.11 0.81 0.00 0.00 0.71 0.00 0.00 54.79 56.20 3h3e n ASP 31 Cb 0.47 -3.27 0.00 0.00 -0.02 0.00 0.00 41.12 38.29 3h3e n ASP 31 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3h3e n THR 32 N -3.70 0.00 -4.71 -3.53 -2.24 -0.29 -4.27 114.28 95.55 3h3e n THR 32 Ca -0.04 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3h3e n THR 32 Cb 0.46 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 3h3e n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h3e n GLY 33 N 0.02 -0.19 0.12 3.38 0.00 -0.54 -2.45 105.19 105.54 3h3e n GLY 33 Ca -0.00 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.79 3h3e n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3h3e n LYS 34 N -0.40 0.67 0.00 1.61 4.81 -1.24 -1.53 118.16 122.09 3h3e n LYS 34 Ca 0.00 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 3h3e n LYS 34 Cb 0.00 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.33 3h3e n LYS 34 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3h3e n SER 35 N -3.90 0.00 -1.24 3.14 3.41 -1.26 -3.37 113.62 110.39 3h3e n SER 35 Ca -0.33 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.38 3h3e n SER 35 Cb 0.89 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 65.13 3h3e n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3h3e n ASP 36 N 0.00 3.60 -0.27 4.04 5.75 -1.26 -3.87 116.55 124.54 3h3e n ASP 36 Ca 0.00 -2.08 0.06 0.00 -0.01 0.00 0.00 54.79 52.76 3h3e n ASP 36 Cb 0.00 -0.45 0.20 0.00 -1.03 0.00 0.00 41.12 39.84 3h3e n ASP 36 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 3h3e h VAL 37 N 3.71 0.62 -0.92 2.12 2.07 -1.93 -0.75 116.25 121.18 3h3e h VAL 37 Ca 0.00 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.44 3h3e h VAL 37 Cb 0.95 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 3h3e h VAL 37 CO 0.04 0.08 0.60 2.19 0.02 0.00 0.00 177.57 180.50 3h3e h PHE 38 N 0.43 1.06 -0.37 1.57 -0.00 -1.76 -1.19 116.94 116.68 3h3e h PHE 38 Ca 0.44 0.03 -0.16 0.00 -0.00 0.00 0.00 57.97 58.27 3h3e h PHE 38 Cb 0.69 -0.35 -0.01 0.00 -0.00 0.00 0.00 35.95 36.29 3h3e h PHE 38 CO -0.17 0.54 -0.41 -0.07 -0.00 0.00 0.00 178.31 178.20 3h3e h LEU 39 N 1.03 0.99 -0.41 2.10 3.38 -1.47 -0.91 115.31 120.01 3h3e h LEU 39 Ca 0.41 -0.46 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 3h3e h LEU 39 Cb 0.25 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3h3e h LEU 39 CO -0.16 1.26 -0.26 0.11 0.09 0.00 0.00 178.44 179.48 3h3e h LYS 40 N 0.75 0.90 -0.64 1.13 1.57 -0.97 0.10 116.57 119.42 3h3e h LYS 40 Ca 0.06 -0.42 -0.04 0.00 -1.87 0.00 0.00 60.65 58.37 3h3e h LYS 40 Cb 1.00 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 3h3e h LYS 40 CO 0.10 1.08 0.23 -0.91 -0.57 0.00 0.00 179.45 179.38 3h3e h ASN 41 N 0.73 0.91 -0.46 0.86 2.35 -1.20 -0.68 115.58 118.09 3h3e h ASN 41 Ca 0.08 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3h3e h ASN 41 Cb 0.84 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 3h3e h ASN 41 CO 0.07 0.85 0.31 0.00 -1.65 0.00 0.00 177.43 177.01 3h3e h ALA 42 N 1.09 0.58 -0.78 -0.83 0.00 -0.85 -1.90 119.26 116.58 3h3e h ALA 42 Ca 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3h3e h ALA 42 Cb 0.25 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3h3e h ALA 42 CO -0.01 0.04 0.41 0.00 0.00 0.00 0.00 179.25 179.68 3h3e h ARG 43 N 0.63 1.09 -0.56 0.00 3.08 -0.62 0.57 114.38 118.56 3h3e h ARG 43 Ca 0.17 -0.13 0.09 0.00 0.07 0.00 0.00 59.98 60.18 3h3e h ARG 43 Cb -0.07 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.73 3h3e h ARG 43 CO -0.04 0.81 0.38 -0.22 -1.07 0.00 0.00 179.97 179.83 3h3e h LYS 44 N 1.09 0.39 -0.08 0.04 1.63 -0.53 0.50 116.57 119.61 3h3e h LYS 44 Ca 0.27 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 3h3e h LYS 44 Cb 0.05 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 3h3e h LYS 44 CO -0.04 0.26 0.00 1.28 -3.45 0.00 0.00 179.45 177.50 3h3e n LEU 45 N -4.47 2.30 -2.79 5.20 4.77 -0.48 -4.94 117.00 116.59 3h3e n LEU 45 Ca 0.09 -0.82 -0.21 0.00 -0.03 0.00 0.00 56.01 55.03 3h3e n LEU 45 Cb 0.34 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.41 3h3e n LEU 45 CO 0.34 0.41 -0.03 0.61 -1.33 0.00 0.00 177.39 177.40 3h3e n GLY 46 N 1.27 -0.45 3.82 -0.72 0.00 0.17 -4.98 105.19 104.29 3h3e n GLY 46 Ca 0.17 0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 3h3e n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h3e s ILE 47 N -3.13 5.40 -0.10 -0.61 1.01 -0.23 -5.00 121.20 118.54 3h3e s ILE 47 Ca 0.26 0.32 -0.21 0.00 0.00 0.00 0.00 60.65 61.01 3h3e s ILE 47 Cb -0.11 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 3h3e s ILE 47 CO 0.32 0.54 0.62 -1.81 0.00 0.00 0.00 174.94 174.60 3h3e s ASP 48 N -0.47 6.84 0.45 3.58 1.01 -1.26 -4.47 116.67 122.35 3h3e s ASP 48 Ca 0.14 1.01 -0.20 0.00 0.71 0.00 0.00 52.55 54.22 3h3e s ASP 48 Cb -0.12 -2.36 -0.10 0.00 1.01 0.00 0.00 42.92 41.34 3h3e s ASP 48 CO 0.03 -0.10 0.97 -0.76 0.21 0.00 0.00 175.17 175.52 3h3e s LEU 49 N 0.92 3.87 0.79 1.23 1.43 -1.26 -5.04 118.68 120.63 3h3e s LEU 49 Ca 0.32 1.69 -0.10 0.00 -1.03 0.00 0.00 54.13 55.02 3h3e s LEU 49 Cb -0.17 -4.54 0.10 0.00 0.03 0.00 0.00 46.19 41.61 3h3e s LEU 49 CO 0.14 -0.45 1.14 -2.16 0.23 0.00 0.00 176.35 175.25 3h3e s PRO 50 N -3.35 1.80 0.25 1.29 0.05 -1.26 -4.97 135.00 128.81 3h3e s PRO 50 Ca 0.62 -0.17 -0.05 0.00 0.05 0.00 0.00 61.00 61.45 3h3e s PRO 50 Cb -0.10 -2.03 0.27 0.00 0.05 0.00 0.00 34.50 32.69 3h3e s PRO 50 CO 0.17 -1.61 1.83 -0.22 0.05 0.00 0.00 177.00 177.23 3h3e h LYS 51 N -0.97 1.10 -5.24 4.56 3.64 -1.96 -3.43 116.57 114.26 3h3e h LYS 51 Ca -0.45 -0.17 -0.62 0.00 -1.27 0.00 0.00 60.65 58.14 3h3e h LYS 51 Cb 1.31 -0.19 -0.13 0.00 -0.41 0.00 0.00 32.23 32.80 3h3e h LYS 51 CO 0.58 0.87 -0.26 -0.51 -2.27 0.00 0.00 179.45 177.86 3h3e s ASP 52 N -6.39 6.30 -0.15 4.20 1.01 -1.26 -1.48 116.67 118.91 3h3e s ASP 52 Ca -0.12 0.35 0.01 0.00 0.71 0.00 0.00 52.55 53.51 3h3e s ASP 52 Cb 0.16 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 41.89 3h3e s ASP 52 CO 0.82 -0.11 -0.19 -0.69 0.21 0.00 0.00 175.17 175.22 3h3e s VAL 53 N 1.64 2.35 -0.11 -1.27 1.01 -0.69 -1.17 120.40 122.16 3h3e s VAL 53 Ca 0.15 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 3h3e s VAL 53 Cb -0.15 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 3h3e s VAL 53 CO 0.08 0.53 0.07 -0.76 0.00 0.00 0.00 175.10 175.02 3h3e s LEU 54 N 0.80 3.95 -0.23 3.92 1.43 0.77 -0.73 118.68 128.58 3h3e s LEU 54 Ca -0.07 0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.29 3h3e s LEU 54 Cb -0.15 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.14 3h3e s LEU 54 CO -0.01 0.38 -0.06 -0.63 0.23 0.00 0.00 176.35 176.26 3h3e s ILE 55 N -0.88 3.04 0.25 -0.59 -1.09 -0.45 -0.48 121.20 120.99 3h3e s ILE 55 Ca 0.13 -0.80 0.01 0.00 -2.23 0.00 0.00 60.65 57.76 3h3e s ILE 55 Cb -0.12 -2.46 0.02 0.00 -1.58 0.00 0.00 42.46 38.33 3h3e s ILE 55 CO 0.03 0.31 1.64 0.77 -1.23 0.00 0.00 174.94 176.46 3h3e h SER 56 N 8.06 0.53 -4.59 3.58 4.64 -1.88 -3.43 113.55 120.46 3h3e h SER 56 Ca -0.37 -0.22 0.16 0.00 -0.47 0.00 0.00 61.79 60.89 3h3e h SER 56 Cb 1.13 -0.15 -0.16 0.00 -0.31 0.00 0.00 62.40 62.92 3h3e h SER 56 CO 0.59 0.84 0.59 -1.38 -0.87 0.00 0.00 176.83 176.61 3h3e s HIS 57 N -4.30 -0.27 -0.15 4.77 -3.43 -1.26 -0.71 115.29 109.94 3h3e s HIS 57 Ca -0.07 0.15 -0.01 0.00 -0.80 0.00 0.00 55.06 54.33 3h3e s HIS 57 Cb 0.13 0.54 0.09 0.00 -1.43 0.00 0.00 32.58 31.91 3h3e s HIS 57 CO 0.81 -0.46 2.04 0.41 -2.00 0.00 0.00 174.74 175.54 3h3e n GLY 58 N -0.22 3.24 3.84 -1.38 0.00 -1.26 -4.51 105.19 104.91 3h3e n GLY 58 Ca -0.06 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 3h3e n GLY 58 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h3e s HIS 59 N -0.81 3.36 0.32 1.61 3.76 -1.26 -3.55 115.29 118.72 3h3e s HIS 59 Ca 0.15 1.30 0.05 0.00 -0.15 0.00 0.00 55.06 56.41 3h3e s HIS 59 Cb 0.12 -2.61 0.67 0.00 1.11 0.00 0.00 32.58 31.87 3h3e s HIS 59 CO -0.00 0.03 1.85 0.10 -0.85 0.00 0.00 174.74 175.86 3h3e h TYR 60 N 2.09 1.00 0.00 1.40 -0.00 -1.29 -0.91 116.97 119.26 3h3e h TYR 60 Ca -0.48 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.28 3h3e h TYR 60 Cb 1.18 -0.32 0.00 0.00 0.00 0.00 0.00 36.73 37.59 3h3e h TYR 60 CO 0.62 0.39 0.00 -0.40 -0.00 0.00 0.00 178.16 178.76 3h3e n ASP 61 N -4.59 0.00 0.00 0.10 5.75 -1.26 -1.54 116.55 115.01 3h3e n ASP 61 Ca 0.18 -0.92 0.00 0.00 -0.01 0.00 0.00 54.79 54.04 3h3e n ASP 61 Cb 0.40 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 3h3e n ASP 61 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3h3e n HIS 62 N -0.98 0.00 0.66 2.11 8.25 -0.64 -2.49 115.22 122.14 3h3e n HIS 62 Ca 0.20 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.75 3h3e n HIS 62 Cb 0.09 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.29 3h3e n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h3e n ALA 63 N -2.05 2.46 0.00 -1.41 0.00 -0.44 -1.13 120.51 117.93 3h3e n ALA 63 Ca 0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 53.44 52.63 3h3e n ALA 63 Cb 0.47 -0.59 -0.01 0.00 0.00 0.00 0.00 19.45 19.32 3h3e n ALA 63 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3h3e h GLY 64 N 3.40 0.70 1.64 0.00 0.00 -0.20 -2.88 103.07 105.72 3h3e h GLY 64 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 46.39 3h3e h GLY 64 CO 0.00 0.84 0.00 0.61 0.00 0.00 0.00 176.54 177.99 3h3e n GLY 65 N 0.54 -0.78 0.29 4.60 0.00 -1.01 -1.89 105.19 106.95 3h3e n GLY 65 Ca -0.05 -0.06 0.17 0.00 0.00 0.00 0.00 46.02 46.07 3h3e n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h3e h LEU 66 N 0.00 0.00 0.00 0.99 3.38 -1.74 -1.05 115.31 116.90 3h3e h LEU 66 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h3e h LEU 66 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3h3e h LEU 66 CO 0.00 0.06 0.00 0.18 0.09 0.00 0.00 178.44 178.77 3h3e n LEU 67 N -3.32 0.00 -0.49 1.67 4.77 -0.79 -1.89 117.00 116.95 3h3e n LEU 67 Ca -0.01 0.48 0.05 0.00 -0.03 0.00 0.00 56.01 56.50 3h3e n LEU 67 Cb 0.22 -0.48 0.09 0.00 -2.33 0.00 0.00 43.42 40.92 3h3e n LEU 67 CO 0.27 -0.36 0.51 -1.22 -1.33 0.00 0.00 177.39 175.26 3h3e n TYR 68 N -1.48 0.21 -4.37 -1.77 4.01 -0.40 -4.99 117.16 108.37 3h3e n TYR 68 Ca 0.02 -0.25 -0.28 0.00 -0.16 0.00 0.00 57.90 57.23 3h3e n TYR 68 Cb 0.09 -0.01 -0.12 0.00 -0.31 0.00 0.00 39.34 38.98 3h3e n TYR 68 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3h3e s LEU 69 N -0.92 2.50 0.05 7.72 1.43 -0.79 -5.13 118.68 123.54 3h3e s LEU 69 Ca 0.16 -0.73 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 3h3e s LEU 69 Cb 0.10 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 3h3e s LEU 69 CO 0.13 0.15 -0.11 -0.44 0.23 0.00 0.00 176.35 176.32 3h3e s SER 70 N -2.34 1.21 0.00 2.29 0.01 -1.26 -4.72 113.70 108.89 3h3e s SER 70 Ca 0.18 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.88 3h3e s SER 70 Cb -0.09 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.13 3h3e s SER 70 CO 0.09 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.21 3h3e n GLY 71 N 1.44 0.48 3.84 3.44 0.00 0.40 -4.96 105.19 109.84 3h3e n GLY 71 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 3h3e n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3e s LYS 72 N -0.49 3.24 -0.41 1.61 -0.14 -1.26 -4.85 119.74 117.44 3h3e s LYS 72 Ca 0.00 0.87 -0.14 0.00 -1.36 0.00 0.00 55.97 55.34 3h3e s LYS 72 Cb 0.00 -2.03 0.02 0.00 -1.68 0.00 0.00 37.83 34.14 3h3e s LYS 72 CO 0.00 -0.86 0.29 0.50 -0.76 0.00 0.00 175.35 174.52 3h3e s ARG 73 N -5.07 2.95 -0.32 1.68 3.52 -0.55 -1.81 118.95 119.35 3h3e s ARG 73 Ca 0.57 -1.04 -0.13 0.00 -0.13 0.00 0.00 55.73 55.00 3h3e s ARG 73 Cb -0.13 -3.96 -0.02 0.00 -1.56 0.00 0.00 34.95 29.28 3h3e s ARG 73 CO 0.54 -0.76 0.24 0.08 -0.81 0.00 0.00 175.30 174.60 3h3e s VAL 74 N 1.66 5.28 -0.50 7.11 1.01 0.86 -1.70 120.40 134.11 3h3e s VAL 74 Ca 0.05 -0.08 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 3h3e s VAL 74 Cb -0.19 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.55 3h3e s VAL 74 CO 0.09 0.05 0.68 0.26 0.00 0.00 0.00 175.10 176.18 3h3e s TRP 75 N 1.77 3.01 0.09 5.22 0.52 0.09 0.36 118.94 129.99 3h3e s TRP 75 Ca 0.07 -0.36 0.02 0.00 0.02 0.00 0.00 56.10 55.85 3h3e s TRP 75 Cb -0.17 -3.58 -0.04 0.00 -1.15 0.00 0.00 33.47 28.53 3h3e s TRP 75 CO 0.11 -1.05 -0.07 -0.48 0.02 0.00 0.00 176.95 175.47 3h3e s LEU 76 N 2.88 2.43 0.28 2.99 2.34 -0.71 -1.34 118.68 127.55 3h3e s LEU 76 Ca 0.19 -0.87 -0.29 0.00 0.06 0.00 0.00 54.13 53.22 3h3e s LEU 76 Cb -0.17 -0.13 -0.09 0.00 -0.56 0.00 0.00 46.19 45.23 3h3e s LEU 76 CO 0.14 -0.37 1.03 -0.13 -1.06 0.00 0.00 176.35 175.96 3h3e s ARG 77 N -3.14 4.69 0.38 1.48 0.52 -1.26 -0.51 118.95 121.11 3h3e s ARG 77 Ca 0.06 1.64 0.19 0.00 -0.52 0.00 0.00 55.73 57.10 3h3e s ARG 77 Cb 0.00 -3.16 1.18 0.00 0.52 0.00 0.00 34.95 33.50 3h3e s ARG 77 CO -0.03 0.31 1.67 0.87 0.02 0.00 0.00 175.30 178.14 3h3e h LYS 78 N 3.81 0.27 -0.00 3.54 1.57 -1.93 0.18 116.57 124.01 3h3e h LYS 78 Ca -0.46 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3h3e h LYS 78 Cb 1.21 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3h3e h LYS 78 CO 0.67 0.18 -0.03 -0.85 -0.57 0.00 0.00 179.45 178.85 3h3e n GLU 79 N -4.88 0.50 0.25 3.15 0.00 -1.26 -2.44 120.64 115.96 3h3e n GLU 79 Ca 0.32 -0.05 0.17 0.00 0.00 0.00 0.00 57.16 57.61 3h3e n GLU 79 Cb 1.08 -1.50 0.87 0.00 0.00 0.00 0.00 31.44 31.89 3h3e n GLU 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3h3e h ALA 80 N 3.48 1.00 0.00 -1.84 0.00 -0.92 -2.90 119.26 118.08 3h3e h ALA 80 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3h3e h ALA 80 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3h3e h ALA 80 CO 0.00 0.00 -0.56 -0.07 0.00 0.00 0.00 179.25 178.62 3h3e h LEU 81 N 0.00 0.00-10.05 0.00 3.38 -1.64 -3.41 115.31 103.58 3h3e h LEU 81 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3h3e h LEU 81 Cb 0.11 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.00 3h3e h LEU 81 CO 0.00 0.56 0.59 0.47 0.09 0.00 0.00 178.44 180.15 3h3e n ASP 82 N -3.45 2.59 -4.61 -0.43 8.00 -1.10 -4.90 116.55 112.65 3h3e n ASP 82 Ca 0.00 0.95 -0.42 0.00 0.71 0.00 0.00 54.79 56.04 3h3e n ASP 82 Cb 0.67 -1.58 -0.05 0.00 -0.02 0.00 0.00 41.12 40.14 3h3e n ASP 82 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3h3e s GLN 83 N -2.98 3.97 0.01 -1.24 -1.52 -1.06 -4.85 119.66 111.98 3h3e s GLN 83 Ca 0.74 0.56 -0.19 0.00 -1.95 0.00 0.00 55.36 54.52 3h3e s GLN 83 Cb -0.41 -3.72 -0.06 0.00 -0.22 0.00 0.00 33.01 28.61 3h3e s GLN 83 CO 0.47 -0.64 0.54 0.15 -0.25 0.00 0.00 175.29 175.57 3h3e s LYS 84 N 2.87 4.23 0.15 2.91 1.02 -1.26 -1.40 119.74 128.26 3h3e s LYS 84 Ca 0.31 0.65 0.11 0.00 0.02 0.00 0.00 55.97 57.06 3h3e s LYS 84 Cb -0.14 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 3h3e s LYS 84 CO 0.12 0.47 -0.26 0.71 -0.92 0.00 0.00 175.35 175.47 3h3e s TYR 85 N -0.50 2.32 -0.41 3.18 1.51 0.19 -0.11 117.35 123.53 3h3e s TYR 85 Ca 0.29 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 56.00 3h3e s TYR 85 Cb -0.18 -1.22 0.12 0.00 -0.11 0.00 0.00 41.96 40.57 3h3e s TYR 85 CO 0.16 0.39 0.20 0.45 -1.11 0.00 0.00 175.55 175.64 3h3e s SER 86 N -2.25 3.86 1.19 2.29 0.15 0.64 -0.66 113.70 118.92 3h3e s SER 86 Ca 0.16 -2.41 0.00 0.00 0.70 0.00 0.00 55.95 54.41 3h3e s SER 86 Cb -0.09 -1.08 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 3h3e s SER 86 CO 0.07 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.82 3h3e n GLY 87 N 3.85 0.99 1.08 9.45 0.00 0.15 -2.77 105.19 117.94 3h3e n GLY 87 Ca 0.06 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.62 3h3e n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h3e n GLU 88 N 12.37 2.41 -3.39 1.61 1.02 -1.26 -4.81 120.64 128.60 3h3e n GLU 88 Ca 0.00 -2.13 -0.38 0.00 -0.02 0.00 0.00 57.16 54.63 3h3e n GLU 88 Cb 0.00 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.84 3h3e n GLU 88 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3h3e s ARG 89 N -1.54 4.14 0.10 3.49 3.52 -1.11 -5.04 118.95 122.51 3h3e s ARG 89 Ca 0.38 0.17 -0.31 0.00 -0.13 0.00 0.00 55.73 55.84 3h3e s ARG 89 Cb 0.22 -3.56 -0.09 0.00 -1.56 0.00 0.00 34.95 29.96 3h3e s ARG 89 CO 0.31 -0.09 1.68 -0.47 -0.81 0.00 0.00 175.30 175.91 3h3e s TYR 90 N 1.49 2.48 -0.08 5.12 5.04 -1.26 -0.26 117.35 129.88 3h3e s TYR 90 Ca 0.18 0.30 0.12 0.00 -2.44 0.00 0.00 57.07 55.23 3h3e s TYR 90 Cb -0.15 -4.01 0.20 0.00 0.35 0.00 0.00 41.96 38.36 3h3e s TYR 90 CO 0.08 -4.01 1.10 0.00 -1.34 0.00 0.00 175.55 171.39 3h3e n ALA 91 N 5.31 2.25 -1.65 3.97 0.00 0.84 -4.87 120.51 126.35 3h3e n ALA 91 Ca 0.16 -2.09 -0.00 0.00 0.00 0.00 0.00 53.44 51.51 3h3e n ALA 91 Cb 0.40 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.42 3h3e n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h3e n GLY 92 N -0.85 -0.16 3.45 0.00 0.00 -0.90 -1.40 105.19 105.33 3h3e n GLY 92 Ca 0.10 -1.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.04 3h3e n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3e s ALA 93 N -3.37 2.61 -1.22 4.61 0.00 -1.23 -3.57 121.76 119.59 3h3e s ALA 93 Ca 0.01 -1.64 -0.15 0.00 0.00 0.00 0.00 51.96 50.18 3h3e s ALA 93 Cb -0.00 -0.38 0.15 0.00 0.00 0.00 0.00 23.12 22.89 3h3e s ALA 93 CO 0.01 0.42 1.49 0.34 0.00 0.00 0.00 175.76 178.02 3h3e s ASP 94 N -2.78 7.02 0.43 0.00 -1.08 -1.26 -4.79 116.67 114.21 3h3e s ASP 94 Ca 0.22 -2.87 0.23 0.00 -0.52 0.00 0.00 52.55 49.60 3h3e s ASP 94 Cb -0.08 -2.44 0.93 0.00 -1.46 0.00 0.00 42.92 39.87 3h3e s ASP 94 CO 0.11 -0.84 1.84 -0.50 0.52 0.00 0.00 175.17 176.30 3h3e h TRP 95 N 7.27 0.00 -0.76 -5.34 4.06 -1.97 -1.64 115.95 117.57 3h3e h TRP 95 Ca 0.34 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.26 3h3e h TRP 95 Cb 0.87 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.00 3h3e h TRP 95 CO 1.17 0.26 0.35 -0.91 -3.56 0.00 0.00 178.44 175.75 3h3e h ASN 96 N 0.00 1.01 0.09 -3.49 2.35 -1.98 -0.17 115.58 113.38 3h3e h ASN 96 Ca -0.00 -0.14 -0.20 0.00 -0.55 0.00 0.00 56.30 55.41 3h3e h ASN 96 Cb 0.72 -0.26 0.02 0.00 0.05 0.00 0.00 38.32 38.85 3h3e h ASN 96 CO 0.03 0.87 -0.83 -0.08 -1.65 0.00 0.00 177.43 175.78 3h3e h GLU 97 N 1.08 0.40 -0.91 0.81 4.81 -1.92 -3.03 114.58 115.82 3h3e h GLU 97 Ca 0.26 -0.55 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3h3e h GLU 97 Cb 0.14 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 3h3e h GLU 97 CO -0.03 1.22 0.58 0.28 -0.73 0.00 0.00 179.01 180.33 3h3e h VAL 98 N -0.15 1.24 -0.00 0.32 2.07 -1.14 -2.20 116.25 116.39 3h3e h VAL 98 Ca -0.13 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3h3e h VAL 98 Cb 1.58 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3h3e h VAL 98 CO 0.16 0.24 -0.25 0.18 0.02 0.00 0.00 177.57 177.93 3h3e n LEU 99 N -4.42 0.33 0.05 2.57 4.77 -0.09 -1.27 117.00 118.94 3h3e n LEU 99 Ca 0.10 0.18 -0.12 0.00 -0.03 0.00 0.00 56.01 56.14 3h3e n LEU 99 Cb 0.03 -0.33 -0.09 0.00 -2.33 0.00 0.00 43.42 40.71 3h3e n LEU 99 CO 0.37 0.08 0.51 0.22 -1.33 0.00 0.00 177.39 177.24 3h3e h TYR 100 N 0.13 -0.17 0.00 -1.77 3.20 -1.27 -3.36 116.97 113.72 3h3e h TYR 100 Ca 0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 3h3e h TYR 100 Cb 0.48 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 3h3e h TYR 100 CO 0.00 0.28 -0.59 1.88 -1.64 0.00 0.00 178.16 178.09 3h3e h TYR 101 N -0.71 0.00 -4.59 -3.82 0.05 -1.49 -3.47 116.97 102.94 3h3e h TYR 101 Ca -0.02 0.00 -0.43 0.00 0.05 0.00 0.00 58.73 58.33 3h3e h TYR 101 Cb 0.52 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.17 3h3e h TYR 101 CO 0.08 0.01 -0.33 0.09 -1.05 0.00 0.00 178.16 176.96 3h3e n ASN 102 N -2.86 2.33 -4.02 3.88 3.02 -0.40 -0.45 115.26 116.76 3h3e n ASN 102 Ca 0.02 -2.53 -0.29 0.00 -0.03 0.00 0.00 54.58 51.75 3h3e n ASN 102 Cb 0.55 0.41 -0.17 0.00 -0.61 0.00 0.00 39.78 39.96 3h3e n ASN 102 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3h3e s THR 103 N -2.39 1.44 0.03 3.41 2.01 -0.75 -4.54 115.64 114.85 3h3e s THR 103 Ca 0.05 -0.58 -0.25 0.00 0.31 0.00 0.00 61.69 61.22 3h3e s THR 103 Cb 0.00 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 71.11 3h3e s THR 103 CO 0.04 0.43 0.77 -0.83 -0.69 0.00 0.00 174.62 174.34 3h3e s GLY 104 N 1.25 2.78 -0.29 4.40 0.00 -1.26 -0.10 107.32 114.10 3h3e s GLY 104 Ca -0.01 0.28 0.01 0.00 0.00 0.00 0.00 44.72 45.00 3h3e s GLY 104 CO -0.06 1.13 -0.04 1.25 0.00 0.00 0.00 173.10 175.38 3h3e s LYS 105 N 0.07 2.25 -0.13 2.90 2.47 0.16 -4.86 119.74 122.60 3h3e s LYS 105 Ca 0.39 -1.38 -0.23 0.00 -1.56 0.00 0.00 55.97 53.19 3h3e s LYS 105 Cb -0.20 -3.05 -0.03 0.00 -1.46 0.00 0.00 37.83 33.08 3h3e s LYS 105 CO 0.23 -0.64 0.71 -0.06 0.16 0.00 0.00 175.35 175.75 3h3e s PHE 106 N 1.15 3.48 -0.29 4.03 0.40 -1.26 -1.73 117.98 123.76 3h3e s PHE 106 Ca -0.05 1.16 -0.13 0.00 -0.60 0.00 0.00 56.93 57.31 3h3e s PHE 106 Cb -0.20 -2.85 -0.04 0.00 0.51 0.00 0.00 43.02 40.44 3h3e s PHE 106 CO -0.04 -0.06 0.26 0.08 0.70 0.00 0.00 175.22 176.16 3h3e s VAL 107 N 1.43 5.26 -0.09 -0.44 1.01 0.34 -4.93 120.40 122.97 3h3e s VAL 107 Ca 0.35 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.58 3h3e s VAL 107 Cb -0.17 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 3h3e s VAL 107 CO 0.14 0.17 -0.07 -0.38 0.00 0.00 0.00 175.10 174.97 3h3e n ILE 108 N 5.10 0.54 -0.86 2.22 5.41 -1.26 -3.98 119.36 126.53 3h3e n ILE 108 Ca -0.12 -0.23 -0.30 0.00 1.00 0.00 0.00 62.75 63.10 3h3e n ILE 108 Cb 0.51 -0.83 0.17 0.00 -0.71 0.00 0.00 39.64 38.78 3h3e n ILE 108 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3h3e s GLU 109 N -2.19 0.85 0.15 0.38 0.41 -1.26 -4.96 118.70 112.07 3h3e s GLU 109 Ca -0.11 1.19 -0.10 0.00 -0.41 0.00 0.00 54.97 55.54 3h3e s GLU 109 Cb 0.03 -1.73 -0.03 0.00 -1.78 0.00 0.00 34.13 30.62 3h3e s GLU 109 CO 0.23 -2.63 1.46 0.00 -0.49 0.00 0.00 175.26 173.83 3h3e h ARG 110 N -1.85 0.87 -4.55 1.61 2.47 -1.97 -3.41 114.38 107.54 3h3e h ARG 110 Ca -0.48 -0.50 -0.54 0.00 -1.26 0.00 0.00 59.98 57.20 3h3e h ARG 110 Cb 1.28 0.04 -0.35 0.00 -1.65 0.00 0.00 29.97 29.29 3h3e h ARG 110 CO 0.48 1.14 -0.82 0.42 0.56 0.00 0.00 179.97 181.74 3h3e s ILE 111 N -4.25 1.25 -0.10 2.04 1.09 -1.26 -1.10 121.20 118.86 3h3e s ILE 111 Ca -0.10 -0.50 0.01 0.00 -1.10 0.00 0.00 60.65 58.95 3h3e s ILE 111 Cb 0.11 -1.17 0.02 0.00 -1.06 0.00 0.00 42.46 40.36 3h3e s ILE 111 CO 0.88 0.39 -0.11 -0.89 -0.10 0.00 0.00 174.94 175.11 3h3e s THR 112 N 1.01 1.24 -0.03 2.92 2.01 -0.37 -4.98 115.64 117.44 3h3e s THR 112 Ca -0.07 -0.47 -0.28 0.00 0.31 0.00 0.00 61.69 61.18 3h3e s THR 112 Cb -0.15 -1.18 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 3h3e s THR 112 CO -0.01 0.39 0.91 -0.70 -0.69 0.00 0.00 174.62 174.53 3h3e s GLU 113 N 1.23 4.51 -0.13 4.92 2.12 -1.26 -0.33 118.70 129.77 3h3e s GLU 113 Ca -0.03 1.28 -0.10 0.00 0.36 0.00 0.00 54.97 56.48 3h3e s GLU 113 Cb -0.14 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 3h3e s GLU 113 CO -0.04 -0.06 -0.20 -0.89 -0.54 0.00 0.00 175.26 173.54 3h3e n ILE 114 N 3.96 1.20 -2.76 -3.70 5.41 -1.26 -4.95 119.36 117.25 3h3e n ILE 114 Ca 0.05 0.24 0.00 0.00 1.00 0.00 0.00 62.75 64.04 3h3e n ILE 114 Cb 0.51 -2.23 0.00 0.00 -0.71 0.00 0.00 39.64 37.21 3h3e n ILE 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3h3e n GLY 115 N 1.58 4.79 3.67 7.39 0.00 -1.26 -5.08 105.19 116.27 3h3e n GLY 115 Ca -0.08 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 3h3e n GLY 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h3e s LYS 116 N 1.05 4.19 -0.48 1.61 -2.85 -1.26 -4.78 119.74 117.22 3h3e s LYS 116 Ca 0.00 2.22 -0.02 0.00 -1.00 0.00 0.00 55.97 57.17 3h3e s LYS 116 Cb 0.00 -3.91 -0.02 0.00 -2.06 0.00 0.00 37.83 31.84 3h3e s LYS 116 CO 0.00 -0.82 0.43 0.09 0.10 0.00 0.00 175.35 175.15 3h3e n ASN 117 N 6.81 -4.63 0.00 0.03 3.02 -1.26 -4.91 115.26 114.32 3h3e n ASN 117 Ca 0.17 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 3h3e n ASN 117 Cb 0.42 -3.05 0.00 0.00 -0.61 0.00 0.00 39.78 36.55 3h3e n ASN 117 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3h3e n PHE 119 N -2.01 0.00 -4.12 3.10 3.01 0.18 0.63 117.46 118.25 3h3e n PHE 119 Ca -0.02 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.09 3h3e n PHE 119 Cb 0.54 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.91 3h3e n PHE 119 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3h3e s LEU 120 N 0.00 3.69 -0.13 4.37 1.43 0.55 -0.26 118.68 128.34 3h3e s LEU 120 Ca 0.00 0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 53.12 3h3e s LEU 120 Cb 0.00 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 3h3e s LEU 120 CO 0.00 0.20 -0.01 -0.76 0.23 0.00 0.00 176.35 176.00 3h3e s LEU 121 N 0.22 3.43 0.00 1.79 1.02 0.75 -1.23 118.68 124.66 3h3e s LEU 121 Ca 0.03 -0.00 -0.00 0.00 0.02 0.00 0.00 54.13 54.17 3h3e s LEU 121 Cb -0.13 -1.81 0.00 0.00 0.02 0.00 0.00 46.19 44.27 3h3e s LEU 121 CO 0.01 0.25 0.01 0.61 0.02 0.00 0.00 176.35 177.25 3h3e n GLY 122 N 3.01 -1.71 3.64 -3.19 0.00 -0.26 -0.77 105.19 105.91 3h3e n GLY 122 Ca -0.18 -1.57 -0.50 0.00 0.00 0.00 0.00 46.02 43.77 3h3e n GLY 122 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h3e n PRO 123 N -1.24 1.59 -2.13 1.61 -0.02 -0.66 -4.71 135.00 129.44 3h3e n PRO 123 Ca 0.00 0.58 -0.37 0.00 -2.02 0.00 0.00 63.50 61.69 3h3e n PRO 123 Cb 0.00 -2.29 0.01 0.00 -0.02 0.00 0.00 33.50 31.21 3h3e n PRO 123 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h3e s ALA 124 N 1.33 2.80 0.02 3.55 0.00 -1.26 -4.96 121.76 123.24 3h3e s ALA 124 Ca 0.85 0.99 -0.30 0.00 0.00 0.00 0.00 51.96 53.50 3h3e s ALA 124 Cb -0.85 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 18.78 3h3e s ALA 124 CO 0.46 -0.90 1.63 1.21 0.00 0.00 0.00 175.76 178.16 3h3e s ASN 125 N -1.43 6.65 0.10 0.00 3.84 -1.26 -4.90 114.94 117.93 3h3e s ASN 125 Ca 0.70 2.36 0.21 0.00 0.21 0.00 0.00 52.86 56.34 3h3e s ASN 125 Cb -0.30 -2.55 0.86 0.00 -0.55 0.00 0.00 41.25 38.71 3h3e s ASN 125 CO 0.35 -0.88 1.66 0.18 -2.79 0.00 0.00 177.10 175.62 3h3e n LEU 126 N 6.07 0.28 -4.20 3.21 4.77 -1.26 -4.74 117.00 121.14 3h3e n LEU 126 Ca 0.16 0.56 -0.31 0.00 -0.03 0.00 0.00 56.01 56.38 3h3e n LEU 126 Cb 0.42 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.92 3h3e n LEU 126 CO 0.62 -0.28 -0.36 0.54 -1.33 0.00 0.00 177.39 176.58 3h3e n ARG 127 N -1.80 -0.89 0.00 3.23 1.74 -1.26 -0.07 116.66 117.61 3h3e n ARG 127 Ca 0.04 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 3h3e n ARG 127 Cb 0.25 -3.57 0.00 0.00 -1.02 0.00 0.00 32.46 28.12 3h3e n ARG 127 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h3e n GLY 128 N -2.06 2.14 3.90 -0.13 0.00 -1.26 -5.04 105.19 102.75 3h3e n GLY 128 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 3h3e n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3e s LYS 129 N -0.40 3.56 0.03 1.61 1.02 0.90 -5.11 119.74 121.35 3h3e s LYS 129 Ca 0.00 0.27 0.02 0.00 0.02 0.00 0.00 55.97 56.28 3h3e s LYS 129 Cb 0.00 -2.35 -0.02 0.00 -0.52 0.00 0.00 37.83 34.94 3h3e s LYS 129 CO 0.00 -0.23 -0.07 0.14 -0.92 0.00 0.00 175.35 174.27 3h3e s VAL 130 N -2.75 0.50 0.38 3.17 -7.23 -1.26 -4.75 120.40 108.46 3h3e s VAL 130 Ca 0.48 -0.84 -0.26 0.00 -1.81 0.00 0.00 61.98 59.55 3h3e s VAL 130 Cb -0.10 -0.53 -0.11 0.00 0.56 0.00 0.00 36.38 36.19 3h3e s VAL 130 CO 0.45 -0.24 1.17 -2.65 -0.31 0.00 0.00 175.10 173.51 3h3e n PRO 131 N 1.88 1.74 -2.57 4.82 -0.02 -1.26 -4.96 135.00 134.63 3h3e n PRO 131 Ca -0.20 0.62 -0.30 0.00 -2.02 0.00 0.00 63.50 61.59 3h3e n PRO 131 Cb 0.56 -2.19 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 3h3e n PRO 131 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3h3e s THR 132 N -1.17 4.73 0.00 3.45 -4.23 -1.26 -4.95 115.64 112.21 3h3e s THR 132 Ca 0.60 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 61.86 3h3e s THR 132 Cb -0.57 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.51 3h3e s THR 132 CO 0.59 -0.69 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 3h3e n GLY 133 N -1.70 -1.15 2.47 3.99 0.00 -1.26 -4.79 105.19 102.75 3h3e n GLY 133 Ca 0.04 -2.15 -0.27 0.00 0.00 0.00 0.00 46.02 43.63 3h3e n GLY 133 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3h3e n ASP 134 N 0.00 4.86 -4.76 1.61 2.03 -1.26 -5.06 116.55 113.96 3h3e n ASP 134 Ca 0.00 -3.73 -0.39 0.00 0.52 0.00 0.00 54.79 51.19 3h3e n ASP 134 Cb 0.00 -0.48 -0.05 0.00 -0.72 0.00 0.00 41.12 39.87 3h3e n ASP 134 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3h3e s PHE 135 N -3.57 3.76 0.26 -0.67 0.08 -1.26 -0.67 117.98 115.91 3h3e s PHE 135 Ca 0.48 1.39 0.05 0.00 0.12 0.00 0.00 56.93 58.97 3h3e s PHE 135 Cb 0.40 -2.70 -0.06 0.00 -0.57 0.00 0.00 43.02 40.10 3h3e s PHE 135 CO -0.18 0.38 -0.01 -0.06 -0.10 0.00 0.00 175.22 175.25 3h3e s PHE 136 N -0.42 1.76 0.02 0.36 0.08 0.17 -2.00 117.98 117.95 3h3e s PHE 136 Ca 0.34 -0.85 -0.05 0.00 0.12 0.00 0.00 56.93 56.49 3h3e s PHE 136 Cb -0.20 -1.04 -0.01 0.00 -0.57 0.00 0.00 43.02 41.20 3h3e s PHE 136 CO 0.21 0.08 0.09 0.54 -0.10 0.00 0.00 175.22 176.03 3h3e s VAL 137 N -3.26 0.10 -0.17 -0.44 0.11 0.01 -0.63 120.40 116.12 3h3e s VAL 137 Ca 0.30 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.49 3h3e s VAL 137 Cb 0.06 -0.52 0.04 0.00 -1.53 0.00 0.00 36.38 34.42 3h3e s VAL 137 CO 0.11 -0.47 -0.08 -1.61 -3.33 0.00 0.00 175.10 169.72 3h3e s GLU 138 N -1.74 1.70 -0.32 1.54 2.02 -0.49 -0.90 118.70 120.50 3h3e s GLU 138 Ca -0.12 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.26 3h3e s GLU 138 Cb -0.06 -2.12 0.07 0.00 0.10 0.00 0.00 34.13 32.12 3h3e s GLU 138 CO -0.01 -0.41 0.03 0.50 0.02 0.00 0.00 175.26 175.39 3h3e s ARG 139 N 1.55 2.12 0.00 1.61 3.52 -0.84 -2.58 118.95 124.34 3h3e s ARG 139 Ca 0.01 -1.51 0.00 0.00 -0.13 0.00 0.00 55.73 54.10 3h3e s ARG 139 Cb -0.15 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 3h3e s ARG 139 CO -0.08 -0.76 0.00 0.09 -0.81 0.00 0.00 175.30 173.74 3h3e n ASN 140 N 4.51 -2.80 0.00 -2.12 3.02 -1.26 -2.90 115.26 113.70 3h3e n ASN 140 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 3h3e n ASN 140 Cb 0.42 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 3h3e n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h3e n GLY 141 N -2.93 0.78 3.43 7.41 0.00 -1.26 -5.05 105.19 107.57 3h3e n GLY 141 Ca 0.00 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 3h3e n GLY 141 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h3e s GLU 142 N -0.62 3.24 -0.52 1.61 0.41 -1.14 -5.06 118.70 116.62 3h3e s GLU 142 Ca 0.00 -0.79 -0.20 0.00 -0.41 0.00 0.00 54.97 53.57 3h3e s GLU 142 Cb 0.00 -3.61 0.05 0.00 -1.78 0.00 0.00 34.13 28.79 3h3e s GLU 142 CO 0.00 -0.48 0.72 0.50 -0.49 0.00 0.00 175.26 175.51 3h3e s ARG 143 N 1.61 3.17 0.42 1.61 3.52 -1.26 -1.98 118.95 126.04 3h3e s ARG 143 Ca 0.04 -0.74 0.07 0.00 -0.13 0.00 0.00 55.73 54.98 3h3e s ARG 143 Cb -0.17 -4.09 -0.04 0.00 -1.56 0.00 0.00 34.95 29.08 3h3e s ARG 143 CO 0.07 -1.31 0.27 1.03 -0.81 0.00 0.00 175.30 174.54 3h3e s ARG 144 N 3.00 2.35 0.55 5.12 1.81 -0.08 -4.95 118.95 126.76 3h3e s ARG 144 Ca 0.19 -1.72 -0.19 0.00 -1.72 0.00 0.00 55.73 52.29 3h3e s ARG 144 Cb -0.18 -2.15 -0.05 0.00 -0.45 0.00 0.00 34.95 32.12 3h3e s ARG 144 CO 0.14 -0.16 1.11 0.21 -0.68 0.00 0.00 175.30 175.92 3h3e s LYS 145 N -4.01 3.35 -0.29 3.54 2.47 -1.26 -0.81 119.74 122.74 3h3e s LYS 145 Ca 0.44 1.51 -0.11 0.00 -1.56 0.00 0.00 55.97 56.25 3h3e s LYS 145 Cb 0.01 -2.01 -0.04 0.00 -1.46 0.00 0.00 37.83 34.33 3h3e s LYS 145 CO 0.25 -0.83 0.18 0.34 0.16 0.00 0.00 175.35 175.45 3h3e s ASP 146 N -1.99 5.89 0.00 1.43 -1.08 -0.85 -4.50 116.67 115.58 3h3e s ASP 146 Ca 0.70 -0.15 0.22 0.00 -0.52 0.00 0.00 52.55 52.80 3h3e s ASP 146 Cb -0.22 -2.09 0.19 0.00 -1.46 0.00 0.00 42.92 39.34 3h3e s ASP 146 CO 0.28 -0.10 1.20 0.18 0.52 0.00 0.00 175.17 177.26 3h3e n LEU 147 N 5.05 2.86 -2.77 -1.34 4.77 -1.26 -4.83 117.00 119.48 3h3e n LEU 147 Ca -0.14 -1.04 -0.13 0.00 -0.03 0.00 0.00 56.01 54.67 3h3e n LEU 147 Cb 0.51 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.65 3h3e n LEU 147 CO 0.34 0.50 0.10 0.49 -1.33 0.00 0.00 177.39 177.48 3h3e n PHE 148 N 1.24 -1.68 0.20 -1.77 3.01 -1.26 -4.83 117.46 112.37 3h3e n PHE 148 Ca 0.13 0.69 0.02 0.00 1.01 0.00 0.00 57.45 59.31 3h3e n PHE 148 Cb 0.55 -4.20 0.12 0.00 -0.01 0.00 0.00 39.48 35.94 3h3e n PHE 148 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3h3e n GLU 149 N -3.37 0.03 0.00 -1.08 -0.58 -1.26 -1.58 120.64 112.80 3h3e n GLU 149 Ca -0.17 0.34 0.11 0.00 -0.42 0.00 0.00 57.16 57.02 3h3e n GLU 149 Cb 0.61 -1.50 0.15 0.00 -0.57 0.00 0.00 31.44 30.13 3h3e n GLU 149 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3h3e n ASP 150 N -1.41 0.64 -4.73 1.62 5.75 -1.26 -4.61 116.55 112.55 3h3e n ASP 150 Ca 0.02 -0.46 -0.42 0.00 -0.01 0.00 0.00 54.79 53.92 3h3e n ASP 150 Cb 0.05 0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 40.57 3h3e n ASP 150 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3h3e s GLU 151 N -3.00 4.42 0.05 0.11 2.12 -0.62 -4.47 118.70 117.31 3h3e s GLU 151 Ca 0.10 1.92 -0.02 0.00 0.36 0.00 0.00 54.97 57.33 3h3e s GLU 151 Cb 0.17 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 31.26 3h3e s GLU 151 CO 0.75 -0.25 0.00 1.14 -0.54 0.00 0.00 175.26 176.36 3h3e s GLN 152 N 0.47 0.63 -0.00 4.30 -2.07 0.11 -1.65 119.66 121.45 3h3e s GLN 152 Ca 0.58 -1.14 0.02 0.00 -1.82 0.00 0.00 55.36 53.00 3h3e s GLN 152 Cb -0.33 0.22 -0.01 0.00 -1.09 0.00 0.00 33.01 31.80 3h3e s GLN 152 CO 0.33 -0.13 -0.06 0.99 -1.32 0.00 0.00 175.29 175.10 3h3e s THR 153 N -3.75 0.46 -0.05 3.63 2.01 0.05 -4.54 115.64 113.46 3h3e s THR 153 Ca 0.05 -0.31 -0.17 0.00 0.31 0.00 0.00 61.69 61.57 3h3e s THR 153 Cb 0.06 -0.40 -0.05 0.00 0.01 0.00 0.00 72.50 72.12 3h3e s THR 153 CO -0.10 0.09 0.47 -0.22 -0.69 0.00 0.00 174.62 174.18 3h3e s LEU 154 N -0.24 4.38 -0.13 4.42 2.96 -0.73 -0.18 118.68 129.17 3h3e s LEU 154 Ca 0.01 0.94 0.01 0.00 -0.22 0.00 0.00 54.13 54.88 3h3e s LEU 154 Cb -0.03 -2.69 0.02 0.00 0.50 0.00 0.00 46.19 43.99 3h3e s LEU 154 CO -0.00 0.15 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.33 3h3e s VAL 155 N -0.23 1.67 -0.21 1.68 1.01 0.64 -1.30 120.40 123.67 3h3e s VAL 155 Ca 0.26 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 3h3e s VAL 155 Cb -0.16 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 3h3e s VAL 155 CO 0.13 0.48 -0.01 -0.69 0.00 0.00 0.00 175.10 175.00 3h3e s VAL 156 N 1.11 3.74 -0.32 2.92 1.01 0.41 -0.65 120.40 128.62 3h3e s VAL 156 Ca -0.03 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 3h3e s VAL 156 Cb -0.14 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 3h3e s VAL 156 CO -0.05 0.42 0.61 -0.60 0.00 0.00 0.00 175.10 175.49 3h3e s ARG 157 N 1.19 3.83 0.22 2.72 3.52 0.20 0.09 118.95 130.72 3h3e s ARG 157 Ca 0.03 0.20 0.10 0.00 -0.13 0.00 0.00 55.73 55.92 3h3e s ARG 157 Cb -0.15 -3.75 -0.04 0.00 -1.56 0.00 0.00 34.95 29.45 3h3e s ARG 157 CO 0.00 -0.61 -0.13 0.99 -0.81 0.00 0.00 175.30 174.75 3h3e s THR 158 N 2.60 2.91 0.45 4.11 2.01 0.20 -4.85 115.64 123.06 3h3e s THR 158 Ca 0.24 -1.93 0.37 0.00 0.31 0.00 0.00 61.69 60.68 3h3e s THR 158 Cb -0.15 -2.47 0.39 0.00 0.01 0.00 0.00 72.50 70.29 3h3e s THR 158 CO 0.13 -0.21 2.19 0.07 -0.69 0.00 0.00 174.62 176.11 3h3e h LYS 159 N 2.69 0.00 -0.01 4.92 2.10 -0.86 -1.64 116.57 123.77 3h3e h LYS 159 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3h3e h LYS 159 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3h3e h LYS 159 CO 0.55 0.03 -0.26 0.39 -2.00 0.00 0.00 179.45 178.16 3h3e n GLU 160 N -3.26 0.88 0.00 0.07 -0.58 -1.26 -5.05 120.64 111.44 3h3e n GLU 160 Ca -0.02 -0.53 0.00 0.00 -0.42 0.00 0.00 57.16 56.20 3h3e n GLU 160 Cb 0.18 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 3h3e n GLU 160 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h3e n GLY 161 N 1.34 0.71 3.87 0.62 0.00 -0.62 -4.68 105.19 106.43 3h3e n GLY 161 Ca 0.12 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 3h3e n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h3e s LEU 162 N 0.00 4.40 -0.16 0.99 1.43 0.91 -0.63 118.68 125.62 3h3e s LEU 162 Ca 0.00 0.66 -0.04 0.00 -1.03 0.00 0.00 54.13 53.72 3h3e s LEU 162 Cb 0.00 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 3h3e s LEU 162 CO 0.00 0.32 -0.03 -0.69 0.23 0.00 0.00 176.35 176.17 3h3e s VAL 163 N -1.16 3.87 -0.14 -1.59 1.01 0.11 -1.03 120.40 121.47 3h3e s VAL 163 Ca 0.23 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.85 3h3e s VAL 163 Cb -0.14 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 3h3e s VAL 163 CO 0.12 0.48 -0.15 -0.69 0.00 0.00 0.00 175.10 174.86 3h3e s VAL 164 N 0.51 2.78 -0.14 2.92 1.01 -1.26 -0.44 120.40 125.78 3h3e s VAL 164 Ca -0.03 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3h3e s VAL 164 Cb -0.14 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.09 3h3e s VAL 164 CO 0.03 0.52 -0.19 -0.63 0.00 0.00 0.00 175.10 174.83 3h3e s ILE 165 N 0.59 1.86 0.06 2.22 1.09 -0.42 -0.70 121.20 125.90 3h3e s ILE 165 Ca -0.09 -0.84 0.05 0.00 -1.10 0.00 0.00 60.65 58.67 3h3e s ILE 165 Cb -0.16 -1.67 -0.03 0.00 -1.06 0.00 0.00 42.46 39.54 3h3e s ILE 165 CO 0.03 0.51 -0.14 0.28 -0.10 0.00 0.00 174.94 175.52 3h3e s THR 166 N 1.04 1.13 -0.10 2.92 -1.32 -0.62 -1.76 115.64 116.92 3h3e s THR 166 Ca -0.03 -1.22 -0.05 0.00 -1.21 0.00 0.00 61.69 59.18 3h3e s THR 166 Cb -0.15 -1.06 -0.02 0.00 -1.51 0.00 0.00 72.50 69.76 3h3e s THR 166 CO -0.05 -0.15 -0.10 1.23 -2.21 0.00 0.00 174.62 173.34 3h3e h GLY 167 N 4.48 0.00 0.00 6.08 0.00 -1.85 -2.91 103.07 108.88 3h3e h GLY 167 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3h3e h GLY 167 CO 0.41 0.00 -0.35 0.00 0.00 0.00 0.00 176.54 176.60 3h3e n SER 169 N -0.55 -5.56 0.15 0.00 7.64 -1.20 -3.01 113.62 111.09 3h3e n SER 169 Ca 0.00 -0.78 0.01 0.00 1.01 0.00 0.00 58.87 59.11 3h3e n SER 169 Cb 0.00 -4.70 0.18 0.00 -1.01 0.00 0.00 64.21 58.68 3h3e n SER 169 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 3h3e h HIS 170 N -1.40 0.00 -0.00 1.43 3.86 -1.91 -2.78 115.15 114.35 3h3e h HIS 170 Ca -0.62 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.59 3h3e h HIS 170 Cb 1.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.80 3h3e h HIS 170 CO 0.33 0.57 -0.10 0.54 0.86 0.00 0.00 177.93 180.14 3h3e n ARG 171 N -3.62 0.59 0.00 2.45 1.74 -1.26 -4.25 116.66 112.31 3h3e n ARG 171 Ca -0.00 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 3h3e n ARG 171 Cb 0.63 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 3h3e n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h3e n GLY 172 N 1.30 2.44 0.21 -0.13 0.00 -1.05 -4.65 105.19 103.30 3h3e n GLY 172 Ca 0.14 -1.17 -0.01 0.00 0.00 0.00 0.00 46.02 44.98 3h3e n GLY 172 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3h3e h ILE 173 N 0.00 1.28 -0.34 -0.61 6.09 -1.84 0.02 117.51 122.11 3h3e h ILE 173 Ca 0.00 -1.35 -0.02 0.00 -1.37 0.00 0.00 64.86 62.11 3h3e h ILE 173 Cb 0.00 1.58 -0.01 0.00 0.47 0.00 0.00 36.82 38.85 3h3e h ILE 173 CO 0.00 0.41 0.13 -2.24 -3.07 0.00 0.00 178.15 173.37 3h3e h ASP 174 N 0.21 0.48 -0.65 2.19 2.03 -1.92 -1.24 116.42 117.51 3h3e h ASP 174 Ca 0.03 -0.18 -0.00 0.00 -0.73 0.00 0.00 57.03 56.14 3h3e h ASP 174 Cb 0.72 -0.12 -0.03 0.00 -0.83 0.00 0.00 39.33 39.06 3h3e h ASP 174 CO 0.05 0.53 0.40 0.78 -1.03 0.00 0.00 179.24 179.97 3h3e h ASN 175 N 0.40 0.78 -0.43 4.15 2.35 -1.66 -1.20 115.58 119.97 3h3e h ASN 175 Ca 0.11 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 3h3e h ASN 175 Cb 0.21 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3h3e h ASN 175 CO -0.01 0.60 0.08 0.40 -1.65 0.00 0.00 177.43 176.85 3h3e h ILE 176 N 0.91 1.24 -0.27 2.81 2.04 -0.80 -0.45 117.51 122.99 3h3e h ILE 176 Ca 0.24 -0.86 -0.19 0.00 1.00 0.00 0.00 64.86 65.04 3h3e h ILE 176 Cb -0.04 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3h3e h ILE 176 CO -0.05 0.30 -0.58 -0.07 0.00 0.00 0.00 178.15 177.75 3h3e h LEU 177 N 0.57 0.98 -0.78 1.44 3.38 -0.82 -2.21 115.31 117.86 3h3e h LEU 177 Ca 0.13 -0.54 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 3h3e h LEU 177 Cb 0.36 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3h3e h LEU 177 CO 0.01 1.34 0.30 -0.07 0.09 0.00 0.00 178.44 180.11 3h3e h LEU 178 N 0.66 1.08 -0.80 1.67 3.38 -1.18 0.30 115.31 120.42 3h3e h LEU 178 Ca 0.00 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3h3e h LEU 178 Cb 1.20 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 3h3e h LEU 178 CO 0.13 0.97 0.53 0.44 0.09 0.00 0.00 178.44 180.59 3h3e h ASP 179 N 1.14 0.91 0.01 -0.43 5.19 -0.91 -1.32 116.42 121.00 3h3e h ASP 179 Ca 0.26 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.65 3h3e h ASP 179 Cb 0.23 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3h3e h ASP 179 CO -0.02 0.65 -0.01 0.40 -3.12 0.00 0.00 179.24 177.15 3h3e h ILE 180 N 1.07 1.13 -1.05 0.35 2.04 -0.78 -2.88 117.51 117.39 3h3e h ILE 180 Ca 0.30 -0.43 0.28 0.00 1.00 0.00 0.00 64.86 66.01 3h3e h ILE 180 Cb -0.11 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.32 3h3e h ILE 180 CO -0.07 0.11 0.71 0.00 0.00 0.00 0.00 178.15 178.90 3h3e h ALA 181 N 0.78 2.57 0.00 1.87 0.00 -0.15 -0.11 119.26 124.21 3h3e h ALA 181 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3h3e h ALA 181 Cb 0.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3h3e h ALA 181 CO 0.00 -0.92 -0.15 0.39 0.00 0.00 0.00 179.25 178.57 3h3e n GLU 182 N -4.44 0.10 -0.07 0.00 1.02 -0.52 -4.25 120.64 112.48 3h3e n GLU 182 Ca 0.24 0.07 -0.09 0.00 -0.02 0.00 0.00 57.16 57.35 3h3e n GLU 182 Cb 0.98 -1.60 -0.07 0.00 -0.02 0.00 0.00 31.44 30.73 3h3e n GLU 182 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3h3e n THR 183 N -1.77 0.82 -4.34 2.62 -1.04 -0.21 -4.97 114.28 105.38 3h3e n THR 183 Ca 0.06 -0.34 -0.34 0.00 -2.04 0.00 0.00 64.05 61.39 3h3e n THR 183 Cb 0.37 -0.97 -0.12 0.00 -1.82 0.00 0.00 70.33 67.79 3h3e n THR 183 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3h3e s PHE 184 N -2.29 3.02 -2.00 -1.42 0.08 -0.30 -4.97 117.98 110.10 3h3e s PHE 184 Ca -0.18 -0.35 0.18 0.00 0.12 0.00 0.00 56.93 56.70 3h3e s PHE 184 Cb 0.05 -1.98 1.09 0.00 -0.57 0.00 0.00 43.02 41.61 3h3e s PHE 184 CO 0.35 -0.09 1.49 -1.71 -0.10 0.00 0.00 175.22 175.16 3h3e n ASN 185 N 3.69 0.00 -4.91 1.36 2.85 -1.26 -4.70 115.26 112.29 3h3e n ASN 185 Ca -0.17 -0.60 -0.28 0.00 -0.11 0.00 0.00 54.58 53.42 3h3e n ASN 185 Cb 0.52 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.51 3h3e n ASN 185 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3h3e s GLU 186 N -2.00 3.61 0.44 1.20 8.01 -1.26 -5.08 118.70 123.62 3h3e s GLU 186 Ca 0.27 -0.05 -0.20 0.00 0.01 0.00 0.00 54.97 55.00 3h3e s GLU 186 Cb 0.13 -2.66 -0.10 0.00 -4.31 0.00 0.00 34.13 27.18 3h3e s GLU 186 CO 0.21 0.21 0.95 0.50 0.01 0.00 0.00 175.26 177.15 3h3e s ARG 187 N -3.62 4.18 -0.35 1.61 3.52 -1.26 -4.85 118.95 118.17 3h3e s ARG 187 Ca 0.43 1.08 -0.23 0.00 -0.13 0.00 0.00 55.73 56.89 3h3e s ARG 187 Cb -0.11 -2.18 0.01 0.00 -1.56 0.00 0.00 34.95 31.11 3h3e s ARG 187 CO 0.31 -0.07 0.77 0.42 -0.81 0.00 0.00 175.30 175.92 3h3e s ILE 188 N -2.25 4.77 -0.19 4.11 1.01 -1.26 -0.06 121.20 127.32 3h3e s ILE 188 Ca 0.61 0.93 0.18 0.00 0.00 0.00 0.00 60.65 62.38 3h3e s ILE 188 Cb -0.09 -4.18 -0.00 0.00 0.01 0.00 0.00 42.46 38.20 3h3e s ILE 188 CO 0.16 -0.37 1.11 0.50 0.00 0.00 0.00 174.94 176.35 3h3e h LYS 189 N 8.38 0.00 -1.47 2.79 3.64 -1.35 -3.33 116.57 125.23 3h3e h LYS 189 Ca -0.25 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.25 3h3e h LYS 189 Cb 1.10 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.68 3h3e h LYS 189 CO 0.89 0.24 0.16 0.08 -2.27 0.00 0.00 179.45 178.55 3h3e s VAL 191 N -3.07 -0.45 -0.02 2.00 1.01 -0.60 -1.43 120.40 117.84 3h3e s VAL 191 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.03 3h3e s VAL 191 Cb 0.08 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 3h3e s VAL 191 CO 0.78 0.00 -0.15 0.54 0.00 0.00 0.00 175.10 176.26 3h3e s VAL 192 N 2.21 1.23 -4.70 2.92 0.11 0.12 -0.95 120.40 121.34 3h3e s VAL 192 Ca -0.06 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.34 3h3e s VAL 192 Cb -0.07 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 3h3e s VAL 192 CO -0.17 0.35 0.00 0.61 -3.33 0.00 0.00 175.10 172.55 3h3e n GLY 193 N 2.77 0.96 3.81 6.54 0.00 -0.50 -1.59 105.19 117.18 3h3e n GLY 193 Ca -0.15 -1.94 -0.38 0.00 0.00 0.00 0.00 46.02 43.55 3h3e n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h3e s GLY 194 N 0.00 2.63 0.00 -0.02 0.00 -0.91 -0.91 107.32 108.11 3h3e s GLY 194 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 44.72 44.78 3h3e s GLY 194 CO 0.00 0.43 0.48 0.69 0.00 0.00 0.00 173.10 174.70 3h3e n PHE 195 N 1.86 0.00 -3.38 1.90 3.72 -1.25 -3.21 117.46 117.10 3h3e n PHE 195 Ca -0.11 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.10 3h3e n PHE 195 Cb 0.51 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.11 3h3e n PHE 195 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 3h3e n HIS 196 N -0.62 -2.33 -0.43 1.38 -0.00 -1.16 -4.70 115.22 107.35 3h3e n HIS 196 Ca 0.03 0.75 0.06 0.00 0.46 0.00 0.00 57.72 59.02 3h3e n HIS 196 Cb 0.15 -3.89 0.16 0.00 -0.12 0.00 0.00 29.99 26.29 3h3e n HIS 196 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 3h3e n LEU 197 N -3.41 3.01 0.15 0.27 4.77 -0.98 -4.60 117.00 116.21 3h3e n LEU 197 Ca -0.08 -2.35 0.01 0.00 -0.03 0.00 0.00 56.01 53.56 3h3e n LEU 197 Cb 0.60 -0.30 0.31 0.00 -2.33 0.00 0.00 43.42 41.71 3h3e n LEU 197 CO 0.61 0.68 0.71 -0.07 -1.33 0.00 0.00 177.39 177.99 3h3e h LEU 198 N 1.52 0.11 -2.42 2.23 3.38 -1.72 -2.99 115.31 115.41 3h3e h LEU 198 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3h3e h LEU 198 Cb 0.91 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3h3e h LEU 198 CO 0.06 0.46 0.00 0.29 0.09 0.00 0.00 178.44 179.34 3h3e n LYS 199 N -4.09 2.36 -3.55 1.13 5.02 -1.26 -4.97 118.16 112.80 3h3e n LYS 199 Ca -0.02 -2.14 -0.32 0.00 -2.02 0.00 0.00 58.31 53.81 3h3e n LYS 199 Cb 0.42 -1.42 -0.05 0.00 -0.02 0.00 0.00 35.03 33.95 3h3e n LYS 199 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3h3e s SER 200 N -1.20 6.57 0.55 4.39 0.01 -1.13 -4.93 113.70 117.96 3h3e s SER 200 Ca 0.33 0.76 -0.16 0.00 1.31 0.00 0.00 55.95 58.18 3h3e s SER 200 Cb 0.19 -2.16 -0.06 0.00 0.21 0.00 0.00 66.02 64.20 3h3e s SER 200 CO 0.26 0.02 1.02 -0.94 0.41 0.00 0.00 173.24 174.01 3h3e s SER 201 N -2.29 6.20 0.31 2.44 1.04 -1.26 -4.84 113.70 115.30 3h3e s SER 201 Ca 0.42 1.72 0.05 0.00 0.48 0.00 0.00 55.95 58.62 3h3e s SER 201 Cb -0.12 -2.52 0.68 0.00 0.10 0.00 0.00 66.02 64.15 3h3e s SER 201 CO 0.22 -0.88 1.84 0.44 0.98 0.00 0.00 173.24 175.84 3h3e h ASP 202 N 0.74 0.81 -0.09 7.02 5.19 -1.98 0.24 116.42 128.36 3h3e h ASP 202 Ca -0.47 0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.00 3h3e h ASP 202 Cb 1.20 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.60 3h3e h ASP 202 CO 0.59 0.40 0.03 0.44 -3.12 0.00 0.00 179.24 177.58 3h3e h ASP 203 N 0.85 0.03 -0.50 6.45 3.32 -1.99 -0.78 116.42 123.80 3h3e h ASP 203 Ca 0.50 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.63 3h3e h ASP 203 Cb 0.65 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.14 3h3e h ASP 203 CO -0.27 0.03 0.18 -0.33 -1.72 0.00 0.00 179.24 177.13 3h3e h GLU 204 N 0.07 0.34 -0.45 3.56 5.08 -1.02 -1.81 114.58 120.35 3h3e h GLU 204 Ca 0.04 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3h3e h GLU 204 Cb 0.02 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3h3e h GLU 204 CO -0.04 0.22 0.03 0.82 -1.00 0.00 0.00 179.01 179.05 3h3e h ILE 205 N 0.35 1.22 -0.44 3.13 2.04 -0.55 -2.86 117.51 120.40 3h3e h ILE 205 Ca 0.24 -0.89 -0.11 0.00 1.00 0.00 0.00 64.86 65.10 3h3e h ILE 205 Cb 0.26 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3h3e h ILE 205 CO -0.25 0.32 -0.16 -0.33 0.00 0.00 0.00 178.15 177.72 3h3e h GLU 206 N 0.68 0.89 -0.62 2.37 5.08 -0.55 -0.98 114.58 121.45 3h3e h GLU 206 Ca 0.14 -0.37 0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3h3e h GLU 206 Cb 0.37 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 3h3e h GLU 206 CO 0.01 1.01 0.42 -0.22 -1.00 0.00 0.00 179.01 179.23 3h3e h LYS 207 N 0.72 0.37 -0.00 2.33 3.11 -1.25 0.13 116.57 121.97 3h3e h LYS 207 Ca 0.10 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.91 3h3e h LYS 207 Cb 0.72 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.87 3h3e h LYS 207 CO 0.05 0.24 -0.05 0.82 -2.81 0.00 0.00 179.45 177.70 3h3e h ILE 208 N 0.38 1.60 -0.95 2.00 2.04 -1.19 -2.60 117.51 118.79 3h3e h ILE 208 Ca 0.29 -1.84 0.12 0.00 1.00 0.00 0.00 64.86 64.44 3h3e h ILE 208 Cb 0.64 2.83 -0.08 0.00 -0.74 0.00 0.00 36.82 39.47 3h3e h ILE 208 CO -0.08 0.48 0.61 0.58 0.00 0.00 0.00 178.15 179.74 3h3e h VAL 209 N -0.71 0.90 -0.81 1.67 2.07 -0.81 0.73 116.25 119.29 3h3e h VAL 209 Ca -0.01 -0.31 0.07 0.00 0.82 0.00 0.00 66.70 67.27 3h3e h VAL 209 Cb 0.82 -0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 3h3e h VAL 209 CO 0.01 0.16 0.49 0.50 0.02 0.00 0.00 177.57 178.75 3h3e h LYS 210 N 0.89 0.86 -0.46 1.57 3.64 -0.72 -1.02 116.57 121.33 3h3e h LYS 210 Ca 0.47 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.74 3h3e h LYS 210 Cb 0.54 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 3h3e h LYS 210 CO -0.23 0.57 0.05 0.00 -2.27 0.00 0.00 179.45 177.57 3h3e h ALA 211 N 1.40 0.61 -0.46 5.00 0.00 -0.48 0.16 119.26 125.49 3h3e h ALA 211 Ca 0.36 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3h3e h ALA 211 Cb 0.20 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3h3e h ALA 211 CO -0.18 0.36 0.11 0.74 0.00 0.00 0.00 179.25 180.27 3h3e h PHE 212 N 0.64 0.18 0.18 0.00 -1.00 -0.84 -0.56 116.94 115.53 3h3e h PHE 212 Ca 0.14 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.94 3h3e h PHE 212 Cb 0.42 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.97 3h3e h PHE 212 CO 0.03 0.02 -0.09 -0.91 -1.61 0.00 0.00 178.31 175.76 3h3e h ASN 213 N 0.25 -0.20 -0.97 2.17 2.35 -0.80 -1.93 115.58 116.44 3h3e h ASN 213 Ca 0.23 -0.11 0.19 0.00 -0.55 0.00 0.00 56.30 56.06 3h3e h ASN 213 Cb 0.28 0.05 -0.09 0.00 0.05 0.00 0.00 38.32 38.61 3h3e h ASN 213 CO -0.28 -0.02 0.61 -0.33 -1.65 0.00 0.00 177.43 175.76 3h3e h GLU 214 N -0.38 0.61 -0.02 0.81 4.39 -0.45 0.20 114.58 119.73 3h3e h GLU 214 Ca -0.02 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3h3e h GLU 214 Cb 0.30 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3h3e h GLU 214 CO 0.04 0.40 0.00 1.28 -1.16 0.00 0.00 179.01 179.57 3h3e n LEU 215 N -4.65 1.10 -1.27 1.33 4.77 -0.24 -4.93 117.00 113.12 3h3e n LEU 215 Ca 0.22 -0.38 -0.11 0.00 -0.03 0.00 0.00 56.01 55.71 3h3e n LEU 215 Cb 0.62 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.70 3h3e n LEU 215 CO 0.26 0.19 -0.14 0.61 -1.33 0.00 0.00 177.39 176.97 3h3e n GLY 216 N 1.12 -0.06 3.74 -0.72 0.00 0.06 -4.53 105.19 104.80 3h3e n GLY 216 Ca 0.20 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3h3e n GLY 216 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3e s VAL 217 N -2.56 2.76 -0.20 1.61 1.01 -0.76 -4.76 120.40 117.51 3h3e s VAL 217 Ca 0.00 0.63 -0.12 0.00 0.00 0.00 0.00 61.98 62.50 3h3e s VAL 217 Cb 0.00 -3.40 -0.20 0.00 0.00 0.00 0.00 36.38 32.77 3h3e s VAL 217 CO 0.00 0.10 0.11 1.21 0.00 0.00 0.00 175.10 176.52 3h3e n GLU 218 N 2.45 0.65 -4.50 2.72 4.07 -0.51 -4.60 120.64 120.92 3h3e n GLU 218 Ca 0.07 0.35 -0.21 0.00 -0.06 0.00 0.00 57.16 57.31 3h3e n GLU 218 Cb 0.41 -1.66 -0.15 0.00 -0.06 0.00 0.00 31.44 29.98 3h3e n GLU 218 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 3h3e s THR 219 N -2.48 0.92 -0.04 6.31 2.01 -0.71 -1.29 115.64 120.36 3h3e s THR 219 Ca -0.29 -0.47 0.03 0.00 0.31 0.00 0.00 61.69 61.27 3h3e s THR 219 Cb 0.08 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.80 3h3e s THR 219 CO 0.64 0.27 -0.14 -0.69 -0.69 0.00 0.00 174.62 174.01 3h3e s VAL 220 N -0.07 1.20 -0.45 3.82 1.01 0.06 -1.56 120.40 124.40 3h3e s VAL 220 Ca 0.01 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.44 3h3e s VAL 220 Cb -0.07 -1.04 0.13 0.00 0.00 0.00 0.00 36.38 35.40 3h3e s VAL 220 CO 0.00 0.35 0.23 -0.69 0.00 0.00 0.00 175.10 174.99 3h3e s VAL 221 N 0.17 1.73 -0.17 2.92 1.01 -0.12 -4.25 120.40 121.68 3h3e s VAL 221 Ca -0.05 -2.69 -0.23 0.00 0.00 0.00 0.00 61.98 59.01 3h3e s VAL 221 Cb -0.11 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3h3e s VAL 221 CO 0.02 -0.85 0.72 -2.84 0.00 0.00 0.00 175.10 172.15 3h3e s PRO 222 N 0.27 4.28 0.46 2.72 0.02 -1.26 -1.41 135.00 140.07 3h3e s PRO 222 Ca 0.17 0.81 0.04 0.00 0.02 0.00 0.00 61.00 62.03 3h3e s PRO 222 Cb -0.24 -3.56 -0.04 0.00 0.02 0.00 0.00 34.50 30.68 3h3e s PRO 222 CO -0.01 -0.23 0.02 0.00 -0.33 0.00 0.00 177.00 176.45 3h3e n HIS 224 N -1.10 0.00 0.21 0.00 -0.00 -1.26 -2.07 115.22 111.00 3h3e n HIS 224 Ca -0.12 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 57.77 3h3e n HIS 224 Cb 0.67 0.00 0.84 0.00 -0.00 0.00 0.00 29.99 31.49 3h3e n HIS 224 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3h3e h THR 226 N 0.00 0.00 0.00 0.00 2.02 -1.75 -3.35 112.91 109.83 3h3e h THR 226 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 3h3e h THR 226 Cb 0.46 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3h3e h THR 226 CO -0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 3h3e n GLY 227 N -1.22 2.90 0.35 2.16 0.00 -1.26 -2.31 105.19 105.81 3h3e n GLY 227 Ca 0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 46.02 44.50 3h3e n GLY 227 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h3e h GLU 228 N 0.00 1.15 0.02 1.61 4.81 -1.96 -1.25 114.58 118.96 3h3e h GLU 228 Ca 0.00 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3h3e h GLU 228 Cb 0.00 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.12 3h3e h GLU 228 CO 0.00 0.76 -0.01 -0.09 -0.73 0.00 0.00 179.01 178.94 3h3e h ARG 229 N 1.19 -0.03 -0.71 1.92 9.65 -1.95 -1.24 114.38 123.21 3h3e h ARG 229 Ca 0.36 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.22 3h3e h ARG 229 Cb -0.03 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 3h3e h ARG 229 CO -0.11 0.03 0.36 0.00 2.80 0.00 0.00 179.97 183.05 3h3e h ALA 230 N 0.90 0.91 -0.68 2.80 0.00 -1.73 -1.87 119.26 119.60 3h3e h ALA 230 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3h3e h ALA 230 Cb 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3h3e h ALA 230 CO 0.00 0.46 0.34 0.28 0.00 0.00 0.00 179.25 180.33 3h3e h VAL 231 N 0.99 1.22 -0.94 0.00 2.07 -1.08 -0.60 116.25 117.91 3h3e h VAL 231 Ca 0.25 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 67.19 3h3e h VAL 231 Cb 0.09 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.18 3h3e h VAL 231 CO -0.03 0.26 0.61 0.44 0.02 0.00 0.00 177.57 178.86 3h3e h ASP 232 N 0.94 1.01 -0.44 0.57 3.32 -0.64 0.19 116.42 121.37 3h3e h ASP 232 Ca 0.23 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 3h3e h ASP 232 Cb 0.10 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3h3e h ASP 232 CO -0.03 0.69 0.11 0.40 -1.72 0.00 0.00 179.24 178.69 3h3e h ILE 233 N 1.17 1.23 -0.26 0.35 2.04 -0.79 -2.13 117.51 119.13 3h3e h ILE 233 Ca 0.38 -0.80 0.05 0.00 1.00 0.00 0.00 64.86 65.50 3h3e h ILE 233 Cb 0.03 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 3h3e h ILE 233 CO -0.13 0.28 -0.05 -0.26 0.00 0.00 0.00 178.15 177.99 3h3e h PHE 234 N 0.57 -0.11 -0.17 1.37 0.04 -0.36 -0.83 116.94 117.45 3h3e h PHE 234 Ca 0.14 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.95 3h3e h PHE 234 Cb 0.31 0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 3h3e h PHE 234 CO 0.02 -0.10 0.12 0.87 -0.60 0.00 0.00 178.31 178.62 3h3e h LYS 235 N 0.02 0.12 0.00 1.51 1.57 -0.36 0.52 116.57 119.96 3h3e h LYS 235 Ca 0.13 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3h3e h LYS 235 Cb 0.19 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3h3e h LYS 235 CO -0.26 0.08 -0.94 2.89 -0.57 0.00 0.00 179.45 180.65 3h3e n ARG 236 N -4.51 0.02 0.00 3.15 1.85 -0.83 -4.59 116.66 111.76 3h3e n ARG 236 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3h3e n ARG 236 Cb 0.16 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.07 3h3e n ARG 236 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3h3e n GLU 237 N -1.53 2.64 -2.49 2.89 1.02 -0.36 -5.03 120.64 117.79 3h3e n GLU 237 Ca 0.04 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.76 3h3e n GLU 237 Cb 0.34 -0.78 -0.03 0.00 -0.02 0.00 0.00 31.44 30.95 3h3e n GLU 237 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3h3e s PHE 238 N -1.14 3.50 -0.85 -0.32 5.36 0.15 -4.92 117.98 119.76 3h3e s PHE 238 Ca 0.00 1.41 0.24 0.00 -0.96 0.00 0.00 56.93 57.62 3h3e s PHE 238 Cb 0.00 -3.35 0.96 0.00 -0.34 0.00 0.00 43.02 40.29 3h3e s PHE 238 CO 0.00 -0.97 1.76 1.28 -1.46 0.00 0.00 175.22 175.82 3h3e n LEU 239 N 3.78 0.31 0.00 6.12 4.77 -1.26 -4.84 117.00 125.87 3h3e n LEU 239 Ca 0.08 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 3h3e n LEU 239 Cb 0.47 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3h3e n LEU 239 CO 0.55 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3h3e n GLY 240 N 0.90 3.42 3.77 -0.72 0.00 -1.26 -5.10 105.19 106.20 3h3e n GLY 240 Ca 0.05 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.72 3h3e n GLY 240 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h3e s LYS 241 N 2.74 4.09 0.49 1.61 2.20 -0.41 -5.00 119.74 125.47 3h3e s LYS 241 Ca 0.00 0.17 0.05 0.00 -0.36 0.00 0.00 55.97 55.83 3h3e s LYS 241 Cb 0.00 -3.35 0.05 0.00 -1.51 0.00 0.00 37.83 33.02 3h3e s LYS 241 CO 0.00 0.39 0.41 -0.89 -0.36 0.00 0.00 175.35 174.91 3h3e n ILE 242 N 3.01 0.00 -4.98 5.43 -0.00 -1.26 -0.76 119.36 120.81 3h3e n ILE 242 Ca -0.13 -1.91 -0.28 0.00 -0.00 0.00 0.00 62.75 60.42 3h3e n ILE 242 Cb 0.52 -0.14 -0.16 0.00 -0.00 0.00 0.00 39.64 39.86 3h3e n ILE 242 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 3h3e s ASP 244 N -3.92 2.51 -0.09 4.38 1.01 -1.26 -4.97 116.67 114.34 3h3e s ASP 244 Ca 0.31 -0.43 -0.11 0.00 0.71 0.00 0.00 52.55 53.03 3h3e s ASP 244 Cb -0.02 -0.90 -0.05 0.00 1.01 0.00 0.00 42.92 42.96 3h3e s ASP 244 CO 0.20 0.15 0.27 0.00 0.21 0.00 0.00 175.17 176.00 3h3e s TYR 246 N -0.69 -0.51 0.33 0.00 1.13 -1.26 -4.74 117.35 111.61 3h3e s TYR 246 Ca 0.18 0.31 0.07 0.00 -1.41 0.00 0.00 57.07 56.23 3h3e s TYR 246 Cb -0.14 0.56 0.76 0.00 -1.10 0.00 0.00 41.96 42.04 3h3e s TYR 246 CO 0.07 -0.81 1.85 0.00 -2.51 0.00 0.00 175.55 174.15 3h3e h ALA 247 N 2.00 1.76 0.00 9.51 0.00 -1.36 -0.22 119.26 130.95 3h3e h ALA 247 Ca -0.32 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3h3e h ALA 247 Cb 1.30 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3h3e h ALA 247 CO 0.37 -0.02 -0.11 0.78 0.00 0.00 0.00 179.25 180.27 3h3e h GLY 248 N 0.76 0.00 -5.21 0.00 0.00 -1.85 -3.37 103.07 93.41 3h3e h GLY 248 Ca 0.48 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 47.17 3h3e h GLY 248 CO -0.24 0.00 0.55 -0.10 0.00 0.00 0.00 176.54 176.76 3h3e n LEU 249 N -3.50 2.18 -4.18 3.11 7.94 -0.09 -4.70 117.00 117.77 3h3e n LEU 249 Ca -0.01 1.11 -0.32 0.00 -1.11 0.00 0.00 56.01 55.68 3h3e n LEU 249 Cb 0.25 -1.28 -0.17 0.00 0.53 0.00 0.00 43.42 42.75 3h3e n LEU 249 CO 0.29 -0.80 -0.54 -0.75 -1.11 0.00 0.00 177.39 174.48 3h3e s LYS 250 N 0.48 2.93 -0.05 1.96 2.20 -1.26 -0.97 119.74 125.02 3h3e s LYS 250 Ca 0.80 -0.83 0.06 0.00 -0.36 0.00 0.00 55.97 55.64 3h3e s LYS 250 Cb -0.84 -2.30 -0.02 0.00 -1.51 0.00 0.00 37.83 33.16 3h3e s LYS 250 CO 0.45 0.06 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.77 3h3e s LEU 251 N 0.63 2.25 -0.06 5.43 1.43 -0.14 -4.98 118.68 123.23 3h3e s LEU 251 Ca -0.12 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 52.60 3h3e s LEU 251 Cb -0.17 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 3h3e s LEU 251 CO 0.03 0.28 -0.21 -0.70 0.23 0.00 0.00 176.35 175.98 3h3e s GLU 252 N -0.36 2.59 -0.01 1.70 2.12 -1.26 -0.61 118.70 122.87 3h3e s GLU 252 Ca 0.02 -0.82 -0.13 0.00 0.36 0.00 0.00 54.97 54.40 3h3e s GLU 252 Cb -0.12 -2.27 0.02 0.00 0.26 0.00 0.00 34.13 32.02 3h3e s GLU 252 CO 0.02 0.45 0.27 0.08 -0.54 0.00 0.00 175.26 175.54 3h3e s VAL 253 N -0.31 0.06 0.59 3.70 1.01 -1.26 -5.04 120.40 119.15 3h3e s VAL 253 Ca 0.01 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 3h3e s VAL 253 Cb -0.13 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 3h3e s VAL 253 CO 0.02 -0.29 1.23 -0.44 0.00 0.00 0.00 175.10 175.63 3h3e s SER 254 N -1.33 5.16 0.00 3.32 0.01 -1.26 -4.72 113.70 114.88 3h3e s SER 254 Ca -0.14 2.44 0.00 0.00 1.31 0.00 0.00 55.95 59.57 3h3e s SER 254 Cb -0.06 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.57 3h3e s SER 254 CO 0.04 -1.62 0.31 0.47 0.41 0.00 0.00 173.24 172.84