#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6d n SER 2 N 0.00 -6.08 -0.83 1.61 2.88 -1.26 -5.02 113.62 104.92 1x6d n SER 2 Ca 0.00 1.29 0.10 0.00 -1.33 0.00 0.00 58.87 58.93 1x6d n SER 2 Cb 0.00 -3.54 -0.05 0.00 -0.75 0.00 0.00 64.21 59.88 1x6d n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x6d n SER 3 N -2.77 -4.83 0.07 -3.46 7.64 -1.26 -4.99 113.62 104.02 1x6d n SER 3 Ca -0.02 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.55 1x6d n SER 3 Cb 0.40 -2.76 0.00 0.00 -1.01 0.00 0.00 64.21 60.84 1x6d n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6d n GLY 4 N -3.48 -0.12 2.80 0.23 0.00 -1.26 -5.12 105.19 98.24 1x6d n GLY 4 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 1x6d n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x6d n SER 5 N -3.40 -3.81 -4.95 1.61 7.64 -1.26 -5.02 113.62 104.43 1x6d n SER 5 Ca 0.00 1.19 -0.21 0.00 1.01 0.00 0.00 58.87 60.86 1x6d n SER 5 Cb 0.05 -3.95 0.01 0.00 -1.01 0.00 0.00 64.21 59.31 1x6d n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x6d s SER 6 N -0.62 5.13 0.11 6.43 1.04 -1.26 -5.14 113.70 119.39 1x6d s SER 6 Ca -0.15 -0.78 0.05 0.00 0.48 0.00 0.00 55.95 55.54 1x6d s SER 6 Cb 0.01 -0.21 -0.04 0.00 0.10 0.00 0.00 66.02 65.89 1x6d s SER 6 CO 0.51 -0.93 -0.12 -0.83 0.98 0.00 0.00 173.24 172.86 1x6d s GLY 7 N -4.34 0.94 0.00 7.32 0.00 -1.26 -4.88 107.32 105.10 1x6d s GLY 7 Ca 0.51 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.98 1x6d s GLY 7 CO 0.31 -1.31 0.00 0.00 0.00 0.00 0.00 173.10 172.09 1x6d n ALA 8 N 0.50 0.00 -1.53 3.20 0.00 -1.26 -4.85 120.51 116.58 1x6d n ALA 8 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1x6d n ALA 8 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1x6d n ALA 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1x6d n THR 9 N 0.00 -3.70 -1.90 0.00 -1.04 -1.26 -4.29 114.28 102.09 1x6d n THR 9 Ca 0.00 1.76 -0.29 0.00 -2.04 0.00 0.00 64.05 63.47 1x6d n THR 9 Cb 0.00 -2.68 -0.04 0.00 -1.82 0.00 0.00 70.33 65.79 1x6d n THR 9 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1x6d s LEU 10 N -4.60 3.19 0.07 -4.42 1.43 -1.26 -3.49 118.68 109.60 1x6d s LEU 10 Ca 0.00 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1x6d s LEU 10 Cb 0.00 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1x6d s LEU 10 CO 0.00 -2.84 0.00 1.17 0.23 0.00 0.00 176.35 174.91 1x6d n LYS 11 N 8.98 0.00 -1.58 1.70 4.81 -1.26 -5.11 118.16 125.70 1x6d n LYS 11 Ca 0.35 0.00 -0.63 0.00 -0.87 0.00 0.00 58.31 57.16 1x6d n LYS 11 Cb 0.49 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.44 1x6d n LYS 11 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1x6d n GLN 12 N -2.68 0.25 -4.54 1.64 7.27 -1.23 -4.92 117.38 113.18 1x6d n GLN 12 Ca 0.00 0.09 -0.24 0.00 0.07 0.00 0.00 57.00 56.92 1x6d n GLN 12 Cb 0.00 -1.66 -0.14 0.00 2.41 0.00 0.00 30.24 30.85 1x6d n GLN 12 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1x6d s LEU 13 N 4.27 2.18 0.00 1.69 1.98 -1.26 -4.84 118.68 122.69 1x6d s LEU 13 Ca 1.09 -0.51 0.00 0.00 -2.89 0.00 0.00 54.13 51.81 1x6d s LEU 13 Cb -1.39 -0.86 0.00 0.00 0.66 0.00 0.00 46.19 44.60 1x6d s LEU 13 CO 0.73 0.12 0.00 -0.67 -1.89 0.00 0.00 176.35 174.63 1x6d n ASP 14 N 1.81 0.00 -0.03 3.68 -0.08 -1.26 -4.38 116.55 116.29 1x6d n ASP 14 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 1x6d n ASP 14 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 1x6d n ASP 14 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x6d n GLY 15 N 0.00 1.39 3.79 0.27 0.00 -1.26 -5.07 105.19 104.31 1x6d n GLY 15 Ca 0.00 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 1x6d n GLY 15 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x6d s ILE 16 N -2.06 4.42 -0.19 -0.61 -1.09 -1.26 -3.57 121.20 116.84 1x6d s ILE 16 Ca 0.00 -1.15 -0.03 0.00 -2.23 0.00 0.00 60.65 57.24 1x6d s ILE 16 Cb 0.00 -3.28 0.06 0.00 -1.58 0.00 0.00 42.46 37.66 1x6d s ILE 16 CO 0.00 -0.14 0.04 -1.00 -1.23 0.00 0.00 174.94 172.60 1x6d s HIS 17 N -1.81 0.96 0.34 3.97 3.76 -0.43 -5.01 115.29 117.07 1x6d s HIS 17 Ca 0.31 -0.79 -0.26 0.00 -0.15 0.00 0.00 55.06 54.16 1x6d s HIS 17 Cb -0.10 -1.00 -0.09 0.00 1.11 0.00 0.00 32.58 32.50 1x6d s HIS 17 CO 0.23 -0.59 1.00 0.08 -0.85 0.00 0.00 174.74 174.61 1x6d s VAL 18 N 1.88 3.92 -0.26 -0.90 1.01 -1.26 -3.28 120.40 121.51 1x6d s VAL 18 Ca -0.01 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.59 1x6d s VAL 18 Cb -0.17 -3.91 0.07 0.00 0.00 0.00 0.00 36.38 32.38 1x6d s VAL 18 CO -0.08 0.15 0.00 -0.89 0.00 0.00 0.00 175.10 174.28 1x6d s THR 19 N -1.54 1.35 -0.44 3.92 2.01 -0.95 -5.01 115.64 114.98 1x6d s THR 19 Ca 0.51 -1.31 -0.17 0.00 0.31 0.00 0.00 61.69 61.03 1x6d s THR 19 Cb -0.22 -1.78 0.04 0.00 0.01 0.00 0.00 72.50 70.54 1x6d s THR 19 CO 0.28 -0.30 0.44 -0.63 -0.69 0.00 0.00 174.62 173.72 1x6d s ILE 20 N 1.44 5.10 -0.08 1.82 -1.09 -1.26 -2.89 121.20 124.24 1x6d s ILE 20 Ca 0.00 -0.53 -0.17 0.00 -2.23 0.00 0.00 60.65 57.73 1x6d s ILE 20 Cb -0.18 -4.08 -0.05 0.00 -1.58 0.00 0.00 42.46 36.57 1x6d s ILE 20 CO -0.11 -0.50 0.44 -0.76 -1.23 0.00 0.00 174.94 172.79 1x6d s LEU 21 N 2.08 4.34 -0.40 2.97 2.01 -1.05 -4.96 118.68 123.67 1x6d s LEU 21 Ca 0.10 0.85 -0.03 0.00 0.01 0.00 0.00 54.13 55.06 1x6d s LEU 21 Cb -0.19 -2.64 0.10 0.00 0.01 0.00 0.00 46.19 43.47 1x6d s LEU 21 CO 0.12 0.11 0.18 -1.00 1.01 0.00 0.00 176.35 176.78 1x6d s HIS 22 N 0.06 3.54 0.27 0.29 3.76 -1.26 -2.93 115.29 119.02 1x6d s HIS 22 Ca 0.24 -2.31 0.02 0.00 -0.15 0.00 0.00 55.06 52.86 1x6d s HIS 22 Cb -0.16 -3.09 -0.04 0.00 1.11 0.00 0.00 32.58 30.40 1x6d s HIS 22 CO 0.11 -0.95 0.13 -1.59 -0.85 0.00 0.00 174.74 171.59 1x6d s LYS 23 N 1.17 1.47 0.66 1.40 0.00 0.16 -5.02 119.74 119.58 1x6d s LYS 23 Ca 0.07 -1.81 -0.06 0.00 0.00 0.00 0.00 55.97 54.16 1x6d s LYS 23 Cb -0.22 -0.14 0.04 0.00 0.00 0.00 0.00 37.83 37.51 1x6d s LYS 23 CO -0.04 -0.37 0.96 -1.21 0.00 0.00 0.00 175.35 174.69 1x6d s GLU 24 N -3.95 2.47 -0.36 1.78 2.02 -1.26 -4.20 118.70 115.19 1x6d s GLU 24 Ca 0.37 -0.20 -0.30 0.00 0.02 0.00 0.00 54.97 54.86 1x6d s GLU 24 Cb 0.06 -2.22 -0.09 0.00 0.10 0.00 0.00 34.13 31.99 1x6d s GLU 24 CO 0.15 -1.02 2.28 0.39 0.02 0.00 0.00 175.26 177.08 1x6d n GLU 25 N -2.77 1.36 -1.49 1.61 1.02 -1.26 0.58 120.64 119.69 1x6d n GLU 25 Ca 0.07 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1x6d n GLU 25 Cb 0.59 -2.92 0.00 0.00 -0.02 0.00 0.00 31.44 29.09 1x6d n GLU 25 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x6d n GLY 26 N 6.14 0.43 0.09 0.62 0.00 -0.04 -4.94 105.19 107.49 1x6d n GLY 26 Ca 0.37 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 1x6d n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6d h ALA 27 N 0.00 0.27 0.00 4.61 0.00 0.01 -3.50 119.26 120.66 1x6d h ALA 27 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1x6d h ALA 27 Cb 0.54 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1x6d h ALA 27 CO 0.00 1.15 0.00 0.41 0.00 0.00 0.00 179.25 180.81 1x6d n GLY 28 N 1.51 0.67 0.11 0.00 0.00 -1.26 -4.86 105.19 101.35 1x6d n GLY 28 Ca -0.09 -1.79 -0.20 0.00 0.00 0.00 0.00 46.02 43.94 1x6d n GLY 28 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x6d h LEU 29 N 0.00 0.17 0.00 0.99 3.38 -1.94 -3.45 115.31 114.46 1x6d h LEU 29 Ca 0.00 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1x6d h LEU 29 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1x6d h LEU 29 CO 0.00 1.43 0.00 0.61 0.09 0.00 0.00 178.44 180.57 1x6d n GLY 30 N 1.61 0.89 3.29 0.83 0.00 -1.26 -1.07 105.19 109.48 1x6d n GLY 30 Ca -0.24 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 1x6d n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x6d s PHE 31 N -1.46 1.40 0.37 1.61 -0.71 -1.26 0.15 117.98 118.08 1x6d s PHE 31 Ca 0.00 -0.97 0.08 0.00 -1.04 0.00 0.00 56.93 55.00 1x6d s PHE 31 Cb 0.00 -0.80 -0.06 0.00 -1.21 0.00 0.00 43.02 40.95 1x6d s PHE 31 CO 0.00 -0.12 0.00 -1.12 -1.34 0.00 0.00 175.22 172.64 1x6d s SER 32 N -3.24 4.02 0.34 1.98 0.01 0.89 -4.95 113.70 112.75 1x6d s SER 32 Ca 0.26 -1.14 -0.00 0.00 1.31 0.00 0.00 55.95 56.38 1x6d s SER 32 Cb 0.06 -0.45 -0.03 0.00 0.21 0.00 0.00 66.02 65.81 1x6d s SER 32 CO 0.07 -0.31 0.55 -0.76 0.41 0.00 0.00 173.24 173.19 1x6d s LEU 33 N -3.71 4.02 0.01 2.44 1.43 -1.26 -0.64 118.68 120.97 1x6d s LEU 33 Ca 0.35 0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 53.81 1x6d s LEU 33 Cb 0.03 -3.33 0.01 0.00 0.03 0.00 0.00 46.19 42.93 1x6d s LEU 33 CO 0.19 -0.28 0.23 0.00 0.23 0.00 0.00 176.35 176.72 1x6d s ALA 34 N -2.29 -0.56 0.00 4.21 0.00 0.56 -4.00 121.76 119.68 1x6d s ALA 34 Ca 0.40 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1x6d s ALA 34 Cb -0.10 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1x6d s ALA 34 CO 0.36 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1x6d n GLY 35 N 1.16 -1.71 0.00 0.00 0.00 -1.26 0.15 105.19 103.53 1x6d n GLY 35 Ca -0.21 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1x6d n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x6d n GLY 36 N 0.00 -2.51 0.07 -0.02 0.00 0.90 -4.23 105.19 99.40 1x6d n GLY 36 Ca 0.00 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 1x6d n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6d h ALA 37 N 0.00 -0.01 0.00 4.61 0.00 -1.54 -2.89 119.26 119.43 1x6d h ALA 37 Ca 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 1x6d h ALA 37 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1x6d h ALA 37 CO 0.00 -0.10 -0.26 0.22 0.00 0.00 0.00 179.25 179.12 1x6d h ASP 38 N -0.83 0.00 -3.71 0.00 3.58 -1.85 -3.44 116.42 110.17 1x6d h ASP 38 Ca -0.00 0.00 -0.43 0.00 0.42 0.00 0.00 57.03 57.02 1x6d h ASP 38 Cb 0.80 0.00 0.18 0.00 1.72 0.00 0.00 39.33 42.03 1x6d h ASP 38 CO 0.00 0.26 0.22 -0.76 -2.88 0.00 0.00 179.24 176.08 1x6d s LEU 39 N -6.79 1.32 0.15 2.28 1.02 -1.22 -4.96 118.68 110.48 1x6d s LEU 39 Ca 0.01 0.62 -0.11 0.00 0.02 0.00 0.00 54.13 54.67 1x6d s LEU 39 Cb 0.10 -2.50 -0.01 0.00 0.02 0.00 0.00 46.19 43.80 1x6d s LEU 39 CO 0.65 -3.61 1.53 -0.33 0.02 0.00 0.00 176.35 174.61 1x6d h GLU 40 N -2.23 0.95 -5.35 1.70 4.39 -1.86 -3.38 114.58 108.80 1x6d h GLU 40 Ca -0.46 -0.42 -0.64 0.00 0.34 0.00 0.00 59.36 58.17 1x6d h GLU 40 Cb 1.29 -0.02 -0.15 0.00 -0.10 0.00 0.00 28.75 29.76 1x6d h GLU 40 CO 0.39 1.09 0.63 -0.80 -1.16 0.00 0.00 179.01 179.16 1x6d s ASN 41 N -6.69 6.29 0.21 1.42 0.01 -1.26 -4.88 114.94 110.04 1x6d s ASN 41 Ca -0.12 -1.27 -0.09 0.00 -0.71 0.00 0.00 52.86 50.67 1x6d s ASN 41 Cb 0.12 -2.42 0.29 0.00 0.41 0.00 0.00 41.25 39.65 1x6d s ASN 41 CO 0.87 -1.35 1.73 0.11 -1.51 0.00 0.00 177.10 176.95 1x6d h LYS 42 N 9.39 0.35 -5.74 -0.60 1.79 -1.69 0.26 116.57 120.33 1x6d h LYS 42 Ca -0.17 -0.02 -0.59 0.00 -2.18 0.00 0.00 60.65 57.70 1x6d h LYS 42 Cb 1.06 -0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 31.54 1x6d h LYS 42 CO 1.17 0.23 0.16 0.54 -1.08 0.00 0.00 179.45 180.48 1x6d s VAL 43 N -6.09 5.00 0.71 0.50 0.11 -1.26 -3.96 120.40 115.40 1x6d s VAL 43 Ca -0.13 1.28 -0.16 0.00 -2.93 0.00 0.00 61.98 60.04 1x6d s VAL 43 Cb 0.17 -3.98 0.02 0.00 -1.53 0.00 0.00 36.38 31.06 1x6d s VAL 43 CO 0.74 0.11 1.25 -0.63 -3.33 0.00 0.00 175.10 173.25 1x6d s ILE 44 N 1.85 2.09 0.25 7.04 1.09 -1.26 -4.62 121.20 127.63 1x6d s ILE 44 Ca 0.31 0.05 0.01 0.00 -1.10 0.00 0.00 60.65 59.92 1x6d s ILE 44 Cb -0.16 -2.79 -0.04 0.00 -1.06 0.00 0.00 42.46 38.41 1x6d s ILE 44 CO 0.11 -0.02 0.16 0.42 -0.10 0.00 0.00 174.94 175.51 1x6d s THR 45 N -1.71 0.12 -0.71 2.92 -4.23 0.39 -1.10 115.64 111.32 1x6d s THR 45 Ca 0.78 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 59.03 1x6d s THR 45 Cb -0.33 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.00 1x6d s THR 45 CO 0.44 0.00 1.47 -0.69 -0.54 0.00 0.00 174.62 175.30 1x6d s VAL 46 N -3.90 3.61 0.04 2.29 1.01 -1.19 0.21 120.40 122.47 1x6d s VAL 46 Ca 0.39 0.30 -0.18 0.00 0.00 0.00 0.00 61.98 62.49 1x6d s VAL 46 Cb 0.06 -4.61 -0.09 0.00 0.00 0.00 0.00 36.38 31.74 1x6d s VAL 46 CO 0.16 -1.56 1.28 -0.74 0.00 0.00 0.00 175.10 174.24 1x6d h HIS 47 N 11.56 -0.70 -3.59 5.22 6.17 -1.01 -2.21 115.15 130.59 1x6d h HIS 47 Ca -0.26 0.00 -0.17 0.00 0.71 0.00 0.00 60.37 60.65 1x6d h HIS 47 Cb 1.08 0.27 -0.23 0.00 2.52 0.00 0.00 27.41 31.05 1x6d h HIS 47 CO 1.11 -0.34 -0.58 0.50 0.71 0.00 0.00 177.93 179.33 1x6d s ARG 48 N -4.42 0.30 -0.61 5.26 3.00 -1.25 -4.65 118.95 116.58 1x6d s ARG 48 Ca -0.09 -0.21 -0.03 0.00 -1.00 0.00 0.00 55.73 54.40 1x6d s ARG 48 Cb 0.02 0.12 0.16 0.00 0.00 0.00 0.00 34.95 35.25 1x6d s ARG 48 CO 0.30 -0.06 0.42 0.08 0.00 0.00 0.00 175.30 176.04 1x6d s VAL 49 N -0.79 3.68 0.48 7.11 1.01 -1.26 -0.08 120.40 130.55 1x6d s VAL 49 Ca -0.09 -2.88 -0.16 0.00 0.00 0.00 0.00 61.98 58.85 1x6d s VAL 49 Cb -0.05 -3.41 -0.14 0.00 0.00 0.00 0.00 36.38 32.78 1x6d s VAL 49 CO 0.00 -0.86 -0.13 0.49 0.00 0.00 0.00 175.10 174.60 1x6d n PHE 50 N 3.58 -2.72 0.21 5.22 3.72 0.40 -4.83 117.46 123.04 1x6d n PHE 50 Ca 0.07 0.40 0.10 0.00 -0.05 0.00 0.00 57.45 57.97 1x6d n PHE 50 Cb 0.38 -1.54 0.33 0.00 -0.94 0.00 0.00 39.48 37.72 1x6d n PHE 50 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1x6d h PRO 51 N -0.04 0.00 -3.33 -1.08 0.13 -1.98 -3.37 132.00 122.34 1x6d h PRO 51 Ca -0.38 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.09 1x6d h PRO 51 Cb 1.32 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 32.07 1x6d h PRO 51 CO 0.38 0.21 -0.39 -0.80 -0.23 0.00 0.00 178.00 177.17 1x6d s ASN 52 N -6.19 5.19 0.07 1.44 0.01 -1.26 -4.96 114.94 109.24 1x6d s ASN 52 Ca 0.03 -3.42 -0.03 0.00 -0.71 0.00 0.00 52.86 48.73 1x6d s ASN 52 Cb 0.08 -1.78 0.01 0.00 0.41 0.00 0.00 41.25 39.98 1x6d s ASN 52 CO 0.65 -0.21 0.18 0.61 -1.51 0.00 0.00 177.10 176.82 1x6d n GLY 53 N 2.66 1.58 0.10 0.66 0.00 -1.26 -4.83 105.19 104.10 1x6d n GLY 53 Ca 0.15 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.94 1x6d n GLY 53 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x6d h LEU 54 N 0.00 0.00 -0.97 0.99 3.38 -1.42 -3.29 115.31 114.00 1x6d h LEU 54 Ca -0.06 -0.49 0.14 0.00 0.09 0.00 0.00 57.88 57.55 1x6d h LEU 54 Cb 0.25 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.85 1x6d h LEU 54 CO 0.08 1.40 -0.42 0.00 0.09 0.00 0.00 178.44 179.59 1x6d h ALA 55 N -0.51 0.02 -0.91 1.53 0.00 -1.87 1.87 119.26 119.38 1x6d h ALA 55 Ca -0.30 0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1x6d h ALA 55 Cb 1.22 1.07 -0.08 0.00 0.00 0.00 0.00 17.79 19.99 1x6d h ALA 55 CO -0.18 -0.69 0.54 1.03 0.00 0.00 0.00 179.25 179.95 1x6d h SER 56 N -0.01 0.78 -0.31 0.00 0.87 -1.79 0.56 113.55 113.64 1x6d h SER 56 Ca 0.31 0.05 -0.15 0.00 -1.23 0.00 0.00 61.79 60.77 1x6d h SER 56 Cb 0.56 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1x6d h SER 56 CO -0.96 0.41 -0.36 1.56 -0.53 0.00 0.00 176.83 176.95 1x6d h GLN 57 N 0.87 0.86 0.70 2.24 4.20 0.20 -3.24 115.11 120.93 1x6d h GLN 57 Ca 0.46 -0.43 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1x6d h GLN 57 Cb 0.47 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 1x6d h GLN 57 CO -0.27 1.08 -0.39 1.49 -0.67 0.00 0.00 178.83 180.06 1x6d h GLU 58 N 0.71 -0.98 0.00 1.46 4.57 0.39 -3.47 114.58 117.26 1x6d h GLU 58 Ca 0.06 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1x6d h GLU 58 Cb 0.93 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1x6d h GLU 58 CO 0.09 -0.65 0.00 0.41 -1.18 0.00 0.00 179.01 177.67 1x6d n GLY 59 N -1.54 0.68 0.12 1.92 0.00 0.01 -4.94 105.19 101.44 1x6d n GLY 59 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 1x6d n GLY 59 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x6d n THR 60 N -2.05 1.54 -2.75 2.61 -1.04 -1.26 -4.74 114.28 106.60 1x6d n THR 60 Ca 0.00 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.05 61.33 1x6d n THR 60 Cb 0.00 -1.92 -0.03 0.00 -1.82 0.00 0.00 70.33 66.55 1x6d n THR 60 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1x6d s ILE 61 N -2.45 4.24 -0.16 12.58 1.01 -1.26 -4.98 121.20 130.18 1x6d s ILE 61 Ca -0.34 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 59.57 1x6d s ILE 61 Cb 0.10 -4.85 -0.02 0.00 0.01 0.00 0.00 42.46 37.71 1x6d s ILE 61 CO 0.55 -1.66 -0.07 -1.10 0.00 0.00 0.00 174.94 172.66 1x6d s GLN 62 N 4.15 3.51 -0.44 2.79 -0.21 -1.26 -4.50 119.66 123.69 1x6d s GLN 62 Ca 0.34 -0.60 -0.41 0.00 0.02 0.00 0.00 55.36 54.71 1x6d s GLN 62 Cb -0.07 -2.85 -0.16 0.00 1.00 0.00 0.00 33.01 30.93 1x6d s GLN 62 CO -0.00 0.12 2.14 1.17 -2.12 0.00 0.00 175.29 176.60 1x6d n LYS 63 N 3.85 0.39 0.00 2.91 4.81 -1.26 -0.10 118.16 128.75 1x6d n LYS 63 Ca -0.18 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1x6d n LYS 63 Cb 0.52 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 33.73 1x6d n LYS 63 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x6d n GLY 64 N 7.07 1.31 3.77 3.14 0.00 -0.83 -5.01 105.19 114.64 1x6d n GLY 64 Ca 0.49 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 1x6d n GLY 64 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x6d s ASN 65 N -1.40 2.05 -0.20 1.61 0.02 0.86 -4.87 114.94 113.01 1x6d s ASN 65 Ca 0.00 0.45 -0.05 0.00 -1.02 0.00 0.00 52.86 52.24 1x6d s ASN 65 Cb 0.00 -0.59 -0.02 0.00 0.02 0.00 0.00 41.25 40.66 1x6d s ASN 65 CO 0.00 -3.41 -0.01 -0.70 0.02 0.00 0.00 177.10 173.00 1x6d s GLU 66 N -5.65 3.59 -0.24 -0.60 2.12 -1.26 -3.18 118.70 113.48 1x6d s GLU 66 Ca 0.72 -0.53 -0.15 0.00 0.36 0.00 0.00 54.97 55.37 1x6d s GLU 66 Cb -0.07 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 1x6d s GLU 66 CO 0.54 0.00 0.39 0.08 -0.54 0.00 0.00 175.26 175.74 1x6d s VAL 67 N 1.01 5.18 -0.21 3.70 1.01 -0.26 -4.06 120.40 126.77 1x6d s VAL 67 Ca 0.02 0.64 -0.20 0.00 0.00 0.00 0.00 61.98 62.43 1x6d s VAL 67 Cb -0.14 -3.72 -0.18 0.00 0.00 0.00 0.00 36.38 32.34 1x6d s VAL 67 CO 0.01 0.20 0.14 0.18 0.00 0.00 0.00 175.10 175.63 1x6d n LEU 68 N 4.96 1.87 -3.81 3.92 4.77 -0.66 -4.14 117.00 123.90 1x6d n LEU 68 Ca -0.08 0.42 -0.10 0.00 -0.03 0.00 0.00 56.01 56.22 1x6d n LEU 68 Cb 0.51 -0.95 -0.05 0.00 -2.33 0.00 0.00 43.42 40.60 1x6d n LEU 68 CO 0.38 0.27 0.13 -0.94 -1.33 0.00 0.00 177.39 175.91 1x6d s SER 69 N -6.87 -0.13 -0.05 -1.43 1.04 -1.25 -3.06 113.70 101.96 1x6d s SER 69 Ca -0.29 -0.61 -0.02 0.00 0.48 0.00 0.00 55.95 55.51 1x6d s SER 69 Cb 0.07 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.72 1x6d s SER 69 CO 0.56 -0.95 0.04 -0.63 0.98 0.00 0.00 173.24 173.24 1x6d s ILE 70 N -3.90 0.04 0.00 -1.02 1.01 -0.66 -2.85 121.20 113.82 1x6d s ILE 70 Ca 0.11 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.08 1x6d s ILE 70 Cb 0.01 -0.26 0.00 0.00 0.01 0.00 0.00 42.46 42.22 1x6d s ILE 70 CO -0.03 0.20 0.00 -3.20 0.00 0.00 0.00 174.94 171.90 1x6d n ASN 71 N 5.14 -4.38 0.00 3.58 2.85 0.48 -0.96 115.26 121.97 1x6d n ASN 71 Ca -0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 1x6d n ASN 71 Cb 0.50 -2.18 0.00 0.00 1.24 0.00 0.00 39.78 39.34 1x6d n ASN 71 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x6d n GLY 72 N -0.78 0.50 3.58 8.20 0.00 -1.25 -4.81 105.19 110.63 1x6d n GLY 72 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1x6d n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x6d s LYS 73 N -0.85 3.65 0.17 1.61 1.02 -0.13 -5.01 119.74 120.20 1x6d s LYS 73 Ca 0.00 0.38 -0.28 0.00 0.02 0.00 0.00 55.97 56.09 1x6d s LYS 73 Cb 0.00 -3.90 -0.08 0.00 -0.52 0.00 0.00 37.83 33.34 1x6d s LYS 73 CO 0.00 -1.24 0.89 -1.12 -0.92 0.00 0.00 175.35 172.96 1x6d s SER 74 N 2.27 7.50 -0.81 2.83 0.01 -1.26 -1.66 113.70 122.58 1x6d s SER 74 Ca 0.41 1.78 -0.26 0.00 1.31 0.00 0.00 55.95 59.19 1x6d s SER 74 Cb -0.09 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.61 1x6d s SER 74 CO 0.27 0.10 1.34 -0.76 0.41 0.00 0.00 173.24 174.59 1x6d s LEU 75 N -0.74 3.25 -0.03 2.44 1.43 -1.17 -4.79 118.68 119.07 1x6d s LEU 75 Ca 0.41 -0.71 0.08 0.00 -1.03 0.00 0.00 54.13 52.88 1x6d s LEU 75 Cb -0.24 -2.56 0.28 0.00 0.03 0.00 0.00 46.19 43.70 1x6d s LEU 75 CO 0.29 -1.76 1.14 2.29 0.23 0.00 0.00 176.35 178.53 1x6d n LYS 76 N 9.24 1.96 0.00 1.70 0.00 -1.26 -4.70 118.16 125.10 1x6d n LYS 76 Ca 0.11 -1.10 0.00 0.00 -0.00 0.00 0.00 58.31 57.32 1x6d n LYS 76 Cb 0.50 -1.42 0.00 0.00 -0.00 0.00 0.00 35.03 34.11 1x6d n LYS 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x6d n GLY 77 N 0.72 1.96 3.74 2.58 0.00 -1.26 -5.10 105.19 107.83 1x6d n GLY 77 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1x6d n GLY 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x6d n THR 78 N -0.18 2.67 -1.55 2.61 -1.04 -1.26 -4.21 114.28 111.31 1x6d n THR 78 Ca 0.00 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.21 1x6d n THR 78 Cb 0.00 -1.76 0.21 0.00 -1.82 0.00 0.00 70.33 66.96 1x6d n THR 78 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1x6d s THR 79 N -1.19 1.82 0.21 12.58 -4.23 -1.26 -2.08 115.64 121.50 1x6d s THR 79 Ca 0.61 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 61.02 1x6d s THR 79 Cb -0.47 -2.77 0.17 0.00 1.34 0.00 0.00 72.50 70.76 1x6d s THR 79 CO 0.58 0.00 1.87 -0.74 -0.54 0.00 0.00 174.62 175.79 1x6d h HIS 80 N -2.06 0.94 0.21 3.99 2.76 -1.93 0.15 115.15 119.22 1x6d h HIS 80 Ca -0.45 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 57.74 1x6d h HIS 80 Cb 1.26 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.91 1x6d h HIS 80 CO -1.59 0.57 -0.10 1.25 -1.30 0.00 0.00 177.93 176.76 1x6d h HIS 81 N 1.00 -0.27 -1.18 5.26 -0.00 -1.92 0.14 115.15 118.19 1x6d h HIS 81 Ca 0.29 -0.01 0.34 0.00 -0.00 0.00 0.00 60.37 61.00 1x6d h HIS 81 Cb -0.06 0.09 -0.05 0.00 -0.00 0.00 0.00 27.41 27.39 1x6d h HIS 81 CO -0.03 -0.17 1.06 -0.44 -0.00 0.00 0.00 177.93 178.36 1x6d h ASP 82 N -0.75 0.00 0.00 3.26 3.32 -1.91 0.38 116.42 120.71 1x6d h ASP 82 Ca -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1x6d h ASP 82 Cb 0.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1x6d h ASP 82 CO 0.05 0.00 -0.15 0.00 -1.72 0.00 0.00 179.24 177.42 1x6d h ALA 83 N 0.98 0.01 -0.84 3.45 0.00 -0.65 -2.94 119.26 119.26 1x6d h ALA 83 Ca 0.56 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 55.45 1x6d h ALA 83 Cb 2.68 0.13 -0.15 0.00 0.00 0.00 0.00 17.79 20.44 1x6d h ALA 83 CO -0.01 0.13 -0.07 -0.07 0.00 0.00 0.00 179.25 179.23 1x6d h LEU 84 N -1.00 -0.55 0.44 0.00 4.07 0.25 0.28 115.31 118.80 1x6d h LEU 84 Ca -0.01 0.24 -0.01 0.00 0.08 0.00 0.00 57.88 58.17 1x6d h LEU 84 Cb 0.27 0.45 -0.02 0.00 1.08 0.00 0.00 40.66 42.45 1x6d h LEU 84 CO -0.01 -0.26 -0.36 0.00 -1.08 0.00 0.00 178.44 176.74 1x6d h ALA 85 N 1.82 -0.82 -0.80 1.53 0.00 -0.76 0.59 119.26 120.82 1x6d h ALA 85 Ca 0.45 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 55.41 1x6d h ALA 85 Cb 0.80 0.49 -0.14 0.00 0.00 0.00 0.00 17.79 18.93 1x6d h ALA 85 CO -0.80 -0.99 0.02 0.82 0.00 0.00 0.00 179.25 178.30 1x6d h ILE 86 N -0.79 0.29 -0.39 0.00 5.03 -0.40 1.71 117.51 122.96 1x6d h ILE 86 Ca -0.04 -0.03 -0.01 0.00 -0.12 0.00 0.00 64.86 64.65 1x6d h ILE 86 Cb 0.69 0.18 -0.02 0.00 -3.03 0.00 0.00 36.82 34.64 1x6d h ILE 86 CO -0.02 0.02 0.19 0.25 -0.68 0.00 0.00 178.15 177.91 1x6d h LEU 87 N 0.10 0.48 -1.16 1.44 7.12 -0.05 0.03 115.31 123.27 1x6d h LEU 87 Ca 0.45 -0.04 -0.08 0.00 0.13 0.00 0.00 57.88 58.34 1x6d h LEU 87 Cb 0.82 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.81 1x6d h LEU 87 CO -0.71 0.41 -0.40 0.08 -0.13 0.00 0.00 178.44 177.69 1x6d h ARG 88 N 0.54 0.00 0.01 1.25 0.11 0.47 -2.62 114.38 114.14 1x6d h ARG 88 Ca 0.14 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 60.02 1x6d h ARG 88 Cb 0.06 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.11 1x6d h ARG 88 CO -0.02 0.40 -0.94 1.96 0.10 0.00 0.00 179.97 181.47 1x6d h GLN 89 N 0.00 0.05 0.00 0.08 4.20 0.11 -2.94 115.11 116.61 1x6d h GLN 89 Ca -0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1x6d h GLN 89 Cb 0.76 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1x6d h GLN 89 CO 0.05 0.95 0.00 0.00 -0.67 0.00 0.00 178.83 179.16 1x6d n ALA 90 N -2.39 1.87 1.04 3.87 0.00 -0.35 -1.35 120.51 123.19 1x6d n ALA 90 Ca -0.01 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.47 1x6d n ALA 90 Cb 0.88 -1.28 0.04 0.00 0.00 0.00 0.00 19.45 19.09 1x6d n ALA 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x6d n ARG 91 N -1.38 0.89 -0.07 0.00 1.74 -1.11 -4.23 116.66 112.49 1x6d n ARG 91 Ca 0.06 -0.71 -0.13 0.00 -0.77 0.00 0.00 57.85 56.30 1x6d n ARG 91 Cb 0.16 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.06 1x6d n ARG 91 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1x6d h GLU 92 N 1.72 0.55 0.00 5.56 4.39 -1.27 -0.06 114.58 125.47 1x6d h GLU 92 Ca 0.00 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1x6d h GLU 92 Cb 0.67 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1x6d h GLU 92 CO 0.00 0.89 0.00 -0.35 -1.16 0.00 0.00 179.01 178.39 1x6d n PRO 93 N -4.38 0.17 -0.00 2.33 -0.04 -1.26 -3.46 135.00 128.36 1x6d n PRO 93 Ca -0.05 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.46 1x6d n PRO 93 Cb 0.43 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.83 1x6d n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x6d n ARG 94 N -0.70 2.80 -4.06 0.54 1.74 -1.26 -3.61 116.66 112.11 1x6d n ARG 94 Ca 0.00 -0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 56.94 1x6d n ARG 94 Cb 0.00 -1.07 -0.11 0.00 -1.02 0.00 0.00 32.46 30.25 1x6d n ARG 94 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1x6d s GLN 95 N -2.19 0.53 0.01 5.56 0.74 -1.26 0.40 119.66 123.46 1x6d s GLN 95 Ca 0.03 -0.78 0.01 0.00 0.05 0.00 0.00 55.36 54.67 1x6d s GLN 95 Cb 0.08 -0.27 -0.01 0.00 1.10 0.00 0.00 33.01 33.91 1x6d s GLN 95 CO 0.47 0.04 -0.04 0.00 -0.55 0.00 0.00 175.29 175.21 1x6d s ALA 96 N -1.50 0.26 -0.21 1.58 0.00 -1.15 -4.96 121.76 115.79 1x6d s ALA 96 Ca -0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 1x6d s ALA 96 Cb -0.09 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.05 1x6d s ALA 96 CO 0.00 -0.02 -0.09 0.08 0.00 0.00 0.00 175.76 175.73 1x6d s VAL 97 N -0.72 2.96 -0.16 0.00 1.01 -1.26 -2.51 120.40 119.72 1x6d s VAL 97 Ca -0.06 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1x6d s VAL 97 Cb -0.05 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 34.02 1x6d s VAL 97 CO -0.00 0.45 -0.15 -0.63 0.00 0.00 0.00 175.10 174.76 1x6d s ILE 98 N 1.42 1.68 -0.36 2.22 1.09 -1.14 0.18 121.20 126.29 1x6d s ILE 98 Ca 0.05 -0.71 -0.13 0.00 -1.10 0.00 0.00 60.65 58.77 1x6d s ILE 98 Cb -0.14 -1.56 -0.00 0.00 -1.06 0.00 0.00 42.46 39.69 1x6d s ILE 98 CO -0.06 0.47 0.25 -0.69 -0.10 0.00 0.00 174.94 174.80 1x6d s VAL 99 N 1.44 5.19 0.11 2.92 1.01 -1.13 -2.23 120.40 127.70 1x6d s VAL 99 Ca 0.05 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.70 1x6d s VAL 99 Cb -0.13 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1x6d s VAL 99 CO -0.11 -0.09 -0.13 0.42 0.00 0.00 0.00 175.10 175.19 1x6d s THR 100 N 1.69 1.17 0.27 3.92 -4.23 -1.20 -1.66 115.64 115.61 1x6d s THR 100 Ca 0.05 -1.63 0.07 0.00 -1.18 0.00 0.00 61.69 59.01 1x6d s THR 100 Cb -0.18 -1.40 -0.04 0.00 1.34 0.00 0.00 72.50 72.23 1x6d s THR 100 CO 0.10 -0.43 0.19 -0.13 -0.54 0.00 0.00 174.62 173.81 1x6d s ARG 101 N -2.56 2.80 -0.02 3.99 0.52 -1.26 -1.32 118.95 121.11 1x6d s ARG 101 Ca 0.06 -1.16 -0.30 0.00 -0.52 0.00 0.00 55.73 53.81 1x6d s ARG 101 Cb -0.05 -2.49 -0.03 0.00 0.52 0.00 0.00 34.95 32.90 1x6d s ARG 101 CO 0.02 0.33 1.00 0.21 0.02 0.00 0.00 175.30 176.87 1x6d s LYS 102 N -3.85 4.53 0.42 3.54 2.47 -1.23 -4.66 119.74 120.96 1x6d s LYS 102 Ca 0.34 1.43 0.03 0.00 -1.56 0.00 0.00 55.97 56.22 1x6d s LYS 102 Cb -0.07 -3.47 -0.03 0.00 -1.46 0.00 0.00 37.83 32.80 1x6d s LYS 102 CO 0.25 -0.11 0.08 -0.51 0.16 0.00 0.00 175.35 175.22 1x6d s LEU 103 N 1.19 2.14 0.64 5.43 1.43 -1.26 -5.11 118.68 123.14 1x6d s LEU 103 Ca 0.52 -1.61 -0.16 0.00 -1.03 0.00 0.00 54.13 51.84 1x6d s LEU 103 Cb -0.21 -0.34 -0.14 0.00 0.03 0.00 0.00 46.19 45.53 1x6d s LEU 103 CO 0.26 -0.84 -0.36 0.35 0.23 0.00 0.00 176.35 175.99 1x6d n THR 104 N -0.97 0.00 0.05 5.49 -2.24 -1.26 -4.93 114.28 110.42 1x6d n THR 104 Ca -0.09 -0.47 -0.03 0.00 -2.27 0.00 0.00 64.05 61.20 1x6d n THR 104 Cb 0.66 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.88 1x6d n THR 104 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1x6d h PRO 105 N -0.36 -0.17 0.00 -0.78 0.13 -2.04 -3.46 132.00 125.32 1x6d h PRO 105 Ca -0.39 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1x6d h PRO 105 Cb 1.30 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1x6d h PRO 105 CO 0.32 -0.11 0.00 -1.91 -0.23 0.00 0.00 178.00 176.07 1x6d n GLU 106 N -3.52 0.00 -4.28 0.86 2.13 -1.26 -4.73 120.64 109.85 1x6d n GLU 106 Ca -0.02 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.59 1x6d n GLU 106 Cb 0.07 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 31.62 1x6d n GLU 106 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x6d s ALA 107 N 0.00 0.81 -0.13 4.31 0.00 -1.26 -5.12 121.76 120.37 1x6d s ALA 107 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.78 1x6d s ALA 107 Cb 0.00 -0.44 0.05 0.00 0.00 0.00 0.00 23.12 22.74 1x6d s ALA 107 CO 0.00 0.03 0.11 -1.64 0.00 0.00 0.00 175.76 174.26 1x6d s MET 108 N 0.80 0.04 0.22 0.00 -1.94 -1.26 -5.13 119.30 112.02 1x6d s MET 108 Ca -0.12 0.19 -0.30 0.00 -1.71 0.00 0.00 55.69 53.75 1x6d s MET 108 Cb -0.14 -1.13 -0.08 0.00 2.01 0.00 0.00 34.83 35.48 1x6d s MET 108 CO 0.01 -0.52 1.10 -1.25 -0.01 0.00 0.00 175.02 174.36 1x6d s PRO 109 N 2.20 4.61 -0.08 2.03 0.04 -1.26 -5.04 135.00 137.51 1x6d s PRO 109 Ca 0.04 1.76 0.01 0.00 0.04 0.00 0.00 61.00 62.84 1x6d s PRO 109 Cb -0.14 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 1x6d s PRO 109 CO -0.07 0.13 -0.07 0.16 0.04 0.00 0.00 177.00 177.19 1x6d s ASP 110 N -0.41 4.63 1.08 6.66 -4.77 -1.26 -5.12 116.67 117.49 1x6d s ASP 110 Ca 0.48 -0.04 -0.18 0.00 -3.30 0.00 0.00 52.55 49.51 1x6d s ASP 110 Cb -0.31 -1.22 0.24 0.00 -1.09 0.00 0.00 42.92 40.55 1x6d s ASP 110 CO 0.37 0.34 1.21 -0.76 0.70 0.00 0.00 175.17 177.04 1x6d s LEU 111 N -0.70 1.67 0.25 2.11 1.43 -1.26 -5.03 118.68 117.15 1x6d s LEU 111 Ca 0.11 0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 53.50 1x6d s LEU 111 Cb -0.11 -2.36 -0.08 0.00 0.03 0.00 0.00 46.19 43.66 1x6d s LEU 111 CO 0.02 -3.44 0.71 0.21 0.23 0.00 0.00 176.35 174.08 1x6d s ASN 112 N -4.37 6.94 0.24 2.29 3.84 -1.26 -5.08 114.94 117.55 1x6d s ASN 112 Ca 0.72 1.34 0.07 0.00 0.21 0.00 0.00 52.86 55.20 1x6d s ASN 112 Cb -0.07 -2.39 -0.04 0.00 -0.55 0.00 0.00 41.25 38.20 1x6d s ASN 112 CO 0.55 -0.04 0.14 -0.55 -2.79 0.00 0.00 177.10 174.40 1x6d s SER 113 N -1.88 5.27 -0.09 -4.21 0.15 -1.26 -5.13 113.70 106.56 1x6d s SER 113 Ca 0.46 -0.33 -0.30 0.00 0.70 0.00 0.00 55.95 56.49 1x6d s SER 113 Cb -0.14 -1.27 0.11 0.00 -1.71 0.00 0.00 66.02 63.00 1x6d s SER 113 CO 0.20 -0.01 0.88 -0.55 1.20 0.00 0.00 173.24 174.95 1x6d s SER 114 N -3.69 -0.45 0.35 5.45 0.15 -1.26 -5.19 113.70 109.07 1x6d s SER 114 Ca 0.32 0.37 -0.04 0.00 0.70 0.00 0.00 55.95 57.31 1x6d s SER 114 Cb -0.08 0.39 0.01 0.00 -1.71 0.00 0.00 66.02 64.63 1x6d s SER 114 CO 0.23 -0.49 0.52 -0.83 1.20 0.00 0.00 173.24 173.87 1x6d s GLY 115 N -1.49 1.37 0.79 9.45 0.00 -1.26 -5.17 107.32 111.00 1x6d s GLY 115 Ca -0.02 -1.43 -0.11 0.00 0.00 0.00 0.00 44.72 43.15 1x6d s GLY 115 CO 0.01 -0.91 1.09 2.56 0.00 0.00 0.00 173.10 175.85 1x6d s PRO 116 N -2.91 2.19 0.02 2.90 0.04 -1.26 -5.09 135.00 130.89 1x6d s PRO 116 Ca 0.29 0.67 -0.16 0.00 0.04 0.00 0.00 61.00 61.84 1x6d s PRO 116 Cb -0.01 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.63 1x6d s PRO 116 CO 0.20 -1.56 0.35 0.45 0.04 0.00 0.00 177.00 176.48 1x6d s SER 117 N -3.89 -0.21 -0.17 6.66 0.15 -1.26 -5.15 113.70 109.82 1x6d s SER 117 Ca 0.60 0.01 0.01 0.00 0.70 0.00 0.00 55.95 57.27 1x6d s SER 117 Cb -0.14 0.36 0.02 0.00 -1.71 0.00 0.00 66.02 64.55 1x6d s SER 117 CO 0.54 -0.56 -0.19 -0.55 1.20 0.00 0.00 173.24 173.68 1x6d s SER 118 N -1.72 3.03 0.00 5.45 0.15 -1.26 -5.38 113.70 113.98 1x6d s SER 118 Ca -0.09 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 55.95 1x6d s SER 118 Cb -0.02 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.87 1x6d s SER 118 CO 0.01 -0.01 0.34 0.61 1.20 0.00 0.00 173.24 175.38