#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ueq s SER 2 N 0.00 5.45 0.00 1.61 0.15 -1.26 -4.75 113.70 114.90 1ueq s SER 2 Ca 0.00 1.37 0.00 0.00 0.70 0.00 0.00 55.95 58.02 1ueq s SER 2 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1ueq s SER 2 CO 0.00 -2.05 0.70 -1.20 1.20 0.00 0.00 173.24 171.89 1ueq n SER 3 N 11.90 0.85 0.00 5.45 7.64 -1.26 -5.15 113.62 133.06 1ueq n SER 3 Ca 0.27 -1.42 0.00 0.00 1.01 0.00 0.00 58.87 58.74 1ueq n SER 3 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1ueq n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ueq n GLY 4 N -0.21 -0.14 3.09 0.23 0.00 -1.26 -5.05 105.19 101.85 1ueq n GLY 4 Ca 0.00 -1.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 1ueq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ueq s SER 5 N -1.48 1.01 0.08 1.61 0.01 -1.26 -5.17 113.70 108.50 1ueq s SER 5 Ca 0.00 -0.62 0.01 0.00 1.31 0.00 0.00 55.95 56.65 1ueq s SER 5 Cb 0.00 0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.26 1ueq s SER 5 CO 0.00 -0.22 0.09 -0.24 0.41 0.00 0.00 173.24 173.28 1ueq n SER 6 N 1.23 -0.24 0.00 2.44 2.88 -1.26 -5.14 113.62 113.54 1ueq n SER 6 Ca -0.21 -1.46 0.00 0.00 -1.33 0.00 0.00 58.87 55.87 1ueq n SER 6 Cb 0.55 0.48 0.00 0.00 -0.75 0.00 0.00 64.21 64.49 1ueq n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ueq n GLY 7 N -0.14 1.04 1.83 0.46 0.00 -1.26 -5.08 105.19 102.04 1ueq n GLY 7 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ueq n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ueq n LEU 8 N -0.12 0.00 -4.54 0.99 4.77 -1.26 -5.13 117.00 111.72 1ueq n LEU 8 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 1ueq n LEU 8 Cb 0.00 0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1ueq n LEU 8 CO 0.00 -0.46 0.28 0.33 -1.33 0.00 0.00 177.39 176.22 1ueq n PHE 9 N -2.37 -0.01 0.00 -1.77 -0.00 -1.26 -5.03 117.46 107.02 1ueq n PHE 9 Ca 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 57.45 57.88 1ueq n PHE 9 Cb 0.00 -2.03 0.00 0.00 -0.00 0.00 0.00 39.48 37.45 1ueq n PHE 9 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1ueq n THR 10 N -1.78 0.00 0.00 -2.13 -1.04 -1.26 -5.04 114.28 103.02 1ueq n THR 10 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1ueq n THR 10 Cb 0.48 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 1ueq n THR 10 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ueq n ARG 11 N 0.00 0.00 -4.60 -2.82 1.74 -1.26 -5.04 116.66 104.67 1ueq n ARG 11 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1ueq n ARG 11 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 1ueq n ARG 11 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ueq s ASP 12 N 0.00 3.28 -0.14 0.55 2.15 -1.26 -5.05 116.67 116.21 1ueq s ASP 12 Ca 0.00 -1.71 0.07 0.00 0.43 0.00 0.00 52.55 51.34 1ueq s ASP 12 Cb 0.00 0.58 -0.13 0.00 -0.30 0.00 0.00 42.92 43.07 1ueq s ASP 12 CO 0.00 -0.95 -0.04 0.00 -0.17 0.00 0.00 175.17 174.01 1ueq n ALA 13 N -1.05 1.68 0.24 3.66 0.00 -1.26 -4.56 120.51 119.21 1ueq n ALA 13 Ca -0.11 -0.75 0.08 0.00 0.00 0.00 0.00 53.44 52.66 1ueq n ALA 13 Cb 0.65 0.05 0.60 0.00 0.00 0.00 0.00 19.45 20.76 1ueq n ALA 13 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ueq h SER 14 N 0.00 0.00 0.19 0.00 0.02 -2.04 -1.31 113.55 110.41 1ueq h SER 14 Ca -0.34 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 1ueq h SER 14 Cb 1.67 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.20 1ueq h SER 14 CO -0.01 0.12 -0.05 1.56 -1.14 0.00 0.00 176.83 177.31 1ueq h GLN 15 N 0.00 0.00 -6.95 3.45 4.20 -2.02 -3.45 115.11 110.35 1ueq h GLN 15 Ca -0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.18 1ueq h GLN 15 Cb 0.24 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.10 1ueq h GLN 15 CO 0.02 0.05 0.60 -0.51 -0.67 0.00 0.00 178.83 178.32 1ueq s LEU 16 N -7.30 4.21 -0.07 1.46 1.43 -0.50 -5.00 118.68 112.92 1ueq s LEU 16 Ca -0.04 2.63 -0.28 0.00 -1.03 0.00 0.00 54.13 55.41 1ueq s LEU 16 Cb 0.14 -3.92 -0.02 0.00 0.03 0.00 0.00 46.19 42.42 1ueq s LEU 16 CO 0.55 -0.84 0.91 -0.75 0.23 0.00 0.00 176.35 176.45 1ueq s LYS 17 N -2.25 4.45 0.00 1.70 2.47 -1.26 -4.96 119.74 119.90 1ueq s LYS 17 Ca 0.57 1.25 0.00 0.00 -1.56 0.00 0.00 55.97 56.23 1ueq s LYS 17 Cb -0.37 -3.50 0.00 0.00 -1.46 0.00 0.00 37.83 32.50 1ueq s LYS 17 CO 0.48 -0.15 0.00 0.41 0.16 0.00 0.00 175.35 176.25 1ueq n GLY 18 N 3.08 -1.90 3.49 5.54 0.00 -1.26 -4.67 105.19 109.47 1ueq n GLY 18 Ca 0.05 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 1ueq n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ueq s THR 19 N -2.67 3.09 -0.21 2.61 2.01 -1.07 -4.92 115.64 114.48 1ueq s THR 19 Ca 0.00 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 1ueq s THR 19 Cb 0.00 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1ueq s THR 19 CO 0.00 0.53 0.09 -0.36 -0.69 0.00 0.00 174.62 174.19 1ueq s PHE 20 N -0.79 3.25 0.30 4.92 0.40 -1.26 -0.45 117.98 124.35 1ueq s PHE 20 Ca 0.13 0.06 0.10 0.00 -0.60 0.00 0.00 56.93 56.61 1ueq s PHE 20 Cb -0.11 -2.15 -0.05 0.00 0.51 0.00 0.00 43.02 41.23 1ueq s PHE 20 CO 0.02 0.07 -0.04 -0.51 0.70 0.00 0.00 175.22 175.46 1ueq s LEU 21 N 0.69 2.97 -0.06 -0.37 2.01 -0.34 -5.01 118.68 118.58 1ueq s LEU 21 Ca 0.05 -0.88 -0.15 0.00 0.01 0.00 0.00 54.13 53.16 1ueq s LEU 21 Cb -0.13 -1.43 0.03 0.00 0.01 0.00 0.00 46.19 44.67 1ueq s LEU 21 CO 0.02 -0.09 0.34 -0.94 1.01 0.00 0.00 176.35 176.69 1ueq s SER 22 N -3.66 -0.27 0.06 2.29 1.04 -1.26 -1.32 113.70 110.58 1ueq s SER 22 Ca 0.33 0.32 -0.06 0.00 0.48 0.00 0.00 55.95 57.02 1ueq s SER 22 Cb -0.03 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 1ueq s SER 22 CO 0.19 -0.35 0.10 0.28 0.98 0.00 0.00 173.24 174.44 1ueq s THR 23 N -0.83 0.15 -0.22 2.02 -1.32 -0.76 -4.98 115.64 109.71 1ueq s THR 23 Ca -0.09 -1.26 -0.00 0.00 -1.21 0.00 0.00 61.69 59.12 1ueq s THR 23 Cb -0.04 -1.17 0.02 0.00 -1.51 0.00 0.00 72.50 69.80 1ueq s THR 23 CO 0.03 -0.70 -0.12 -0.89 -2.21 0.00 0.00 174.62 170.74 1ueq s THR 24 N -3.27 2.56 -0.00 5.08 2.01 -1.26 -0.42 115.64 120.33 1ueq s THR 24 Ca 0.01 -0.98 -0.00 0.00 0.31 0.00 0.00 61.69 61.02 1ueq s THR 24 Cb 0.03 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1ueq s THR 24 CO -0.08 0.34 0.08 -0.76 -0.69 0.00 0.00 174.62 173.51 1ueq s LEU 25 N 1.31 3.89 -0.22 4.42 1.43 -0.85 -4.92 118.68 123.73 1ueq s LEU 25 Ca 0.02 0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 53.17 1ueq s LEU 25 Cb -0.15 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 1ueq s LEU 25 CO -0.08 0.27 0.12 -0.75 0.23 0.00 0.00 176.35 176.14 1ueq s LYS 26 N -1.74 4.03 -0.29 1.70 2.20 -1.26 -2.02 119.74 122.35 1ueq s LYS 26 Ca 0.23 -0.30 -0.31 0.00 -0.36 0.00 0.00 55.97 55.22 1ueq s LYS 26 Cb -0.12 -3.41 -0.08 0.00 -1.51 0.00 0.00 37.83 32.71 1ueq s LYS 26 CO 0.14 0.14 2.22 1.17 -0.36 0.00 0.00 175.35 178.65 1ueq n LYS 27 N 4.01 1.50 -0.68 4.03 3.00 0.24 -4.89 118.16 125.37 1ueq n LYS 27 Ca -0.16 0.40 -0.11 0.00 -0.00 0.00 0.00 58.31 58.44 1ueq n LYS 27 Cb 0.52 -2.87 0.08 0.00 0.00 0.00 0.00 35.03 32.76 1ueq n LYS 27 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1ueq n SER 28 N 10.95 -0.10 0.19 3.14 3.41 -0.06 -1.42 113.62 129.74 1ueq n SER 28 Ca 0.36 -1.14 0.13 0.00 -0.26 0.00 0.00 58.87 57.96 1ueq n SER 28 Cb 0.34 -0.38 0.68 0.00 -0.26 0.00 0.00 64.21 64.59 1ueq n SER 28 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ueq h ASN 29 N -0.75 0.00 -1.16 4.04 -1.07 -2.01 -2.84 115.58 111.79 1ueq h ASN 29 Ca -0.16 0.00 -0.44 0.00 0.07 0.00 0.00 56.30 55.77 1ueq h ASN 29 Cb 0.44 0.00 -0.41 0.00 -2.07 0.00 0.00 38.32 36.29 1ueq h ASN 29 CO 0.11 0.00 -1.01 0.23 0.07 0.00 0.00 177.43 176.83 1ueq n MET 30 N -2.37 2.09 0.00 4.14 2.81 -1.26 -5.09 117.12 117.43 1ueq n MET 30 Ca -0.02 -3.75 0.00 0.00 -1.81 0.00 0.00 57.70 52.12 1ueq n MET 30 Cb 0.05 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 30.90 1ueq n MET 30 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ueq n GLY 31 N -0.26 1.54 3.39 3.03 0.00 -1.07 -4.57 105.19 107.24 1ueq n GLY 31 Ca 0.21 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1ueq n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ueq s PHE 32 N 0.00 2.17 -0.04 1.61 0.40 -1.26 -0.88 117.98 119.99 1ueq s PHE 32 Ca 0.00 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.94 1ueq s PHE 32 Cb 0.00 -1.12 0.04 0.00 0.51 0.00 0.00 43.02 42.45 1ueq s PHE 32 CO 0.00 0.40 1.58 0.41 0.70 0.00 0.00 175.22 178.31 1ueq n GLY 33 N 0.53 2.48 3.51 4.36 0.00 -1.26 -4.79 105.19 110.02 1ueq n GLY 33 Ca -0.15 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 1ueq n GLY 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ueq s PHE 34 N -0.25 0.21 0.14 1.61 -0.71 -1.26 -0.36 117.98 117.35 1ueq s PHE 34 Ca 0.04 -0.57 0.03 0.00 -1.04 0.00 0.00 56.93 55.39 1ueq s PHE 34 Cb 0.03 0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 42.00 1ueq s PHE 34 CO 0.00 -0.91 -0.06 0.95 -1.34 0.00 0.00 175.22 173.87 1ueq s THR 35 N -3.96 0.85 0.26 -4.49 -4.23 0.09 -4.88 115.64 99.29 1ueq s THR 35 Ca 0.17 -1.99 0.08 0.00 -1.18 0.00 0.00 61.69 58.77 1ueq s THR 35 Cb 0.00 -1.87 -0.05 0.00 1.34 0.00 0.00 72.50 71.92 1ueq s THR 35 CO 0.03 -0.71 -0.11 -0.63 -0.54 0.00 0.00 174.62 172.65 1ueq s ILE 36 N -3.53 1.90 0.19 2.99 1.09 -1.26 -0.57 121.20 122.00 1ueq s ILE 36 Ca 0.17 -2.21 0.08 0.00 -1.10 0.00 0.00 60.65 57.58 1ueq s ILE 36 Cb 0.05 -2.32 -0.04 0.00 -1.06 0.00 0.00 42.46 39.08 1ueq s ILE 36 CO -0.00 -0.40 -0.15 -0.51 -0.10 0.00 0.00 174.94 173.78 1ueq s ILE 37 N -2.86 1.70 0.03 2.92 2.07 -0.29 -4.53 121.20 120.23 1ueq s ILE 37 Ca 0.28 -2.11 -0.01 0.00 -1.41 0.00 0.00 60.65 57.40 1ueq s ILE 37 Cb 0.01 -1.95 -0.02 0.00 0.13 0.00 0.00 42.46 40.62 1ueq s ILE 37 CO 0.11 -0.53 -0.01 -0.83 -1.91 0.00 0.00 174.94 171.77 1ueq s GLY 38 N -3.11 0.26 0.00 1.50 0.00 -1.26 -2.06 107.32 102.65 1ueq s GLY 38 Ca 0.20 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.25 1ueq s GLY 38 CO 0.06 -0.76 0.96 0.61 0.00 0.00 0.00 173.10 173.97 1ueq n GLY 39 N 1.24 -2.61 0.00 0.20 0.00 -1.26 -4.89 105.19 97.88 1ueq n GLY 39 Ca -0.22 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1ueq n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ueq n ASP 40 N -2.04 0.00 -3.80 1.61 8.00 -1.26 -5.08 116.55 113.98 1ueq n ASP 40 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.31 1ueq n ASP 40 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 1ueq n ASP 40 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1ueq s GLU 41 N -0.97 1.66 -0.40 -1.24 2.02 -1.26 -4.78 118.70 113.73 1ueq s GLU 41 Ca 0.00 -1.96 -0.04 0.00 0.02 0.00 0.00 54.97 52.99 1ueq s GLU 41 Cb 0.00 0.03 -0.11 0.00 0.10 0.00 0.00 34.13 34.15 1ueq s GLU 41 CO 0.00 -0.52 2.20 -0.35 0.02 0.00 0.00 175.26 176.61 1ueq n PRO 42 N -0.61 1.55 0.00 0.39 -0.04 -1.26 -3.15 135.00 131.88 1ueq n PRO 42 Ca 0.03 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.53 1ueq n PRO 42 Cb 0.64 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1ueq n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ueq n ASP 43 N 3.36 0.00 -4.69 3.54 9.92 -1.25 -4.66 116.55 122.77 1ueq n ASP 43 Ca 0.33 -0.02 -0.24 0.00 -0.53 0.00 0.00 54.79 54.33 1ueq n ASP 43 Cb 0.35 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.76 1ueq n ASP 43 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1ueq s GLU 44 N 0.00 2.46 -0.11 -1.24 0.41 -1.19 -4.96 118.70 114.07 1ueq s GLU 44 Ca 0.00 -1.23 -0.26 0.00 -0.41 0.00 0.00 54.97 53.07 1ueq s GLU 44 Cb 0.00 -2.31 -0.02 0.00 -1.78 0.00 0.00 34.13 30.01 1ueq s GLU 44 CO 0.00 0.41 0.85 -0.06 -0.49 0.00 0.00 175.26 175.96 1ueq s PHE 45 N -2.07 3.51 0.22 1.61 0.08 -1.26 -4.54 117.98 115.53 1ueq s PHE 45 Ca 0.30 1.38 -0.29 0.00 0.12 0.00 0.00 56.93 58.44 1ueq s PHE 45 Cb -0.08 -3.00 -0.09 0.00 -0.57 0.00 0.00 43.02 39.28 1ueq s PHE 45 CO 0.20 -0.12 0.90 -0.51 -0.10 0.00 0.00 175.22 175.60 1ueq s LEU 46 N 1.59 4.63 0.10 -0.37 1.43 -1.26 -4.49 118.68 120.30 1ueq s LEU 46 Ca 0.42 1.87 0.03 0.00 -1.03 0.00 0.00 54.13 55.42 1ueq s LEU 46 Cb -0.18 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 1ueq s LEU 46 CO 0.17 0.16 -0.09 -1.10 0.23 0.00 0.00 176.35 175.73 1ueq s GLN 47 N -1.11 0.82 -0.19 1.70 -0.21 -0.88 -1.05 119.66 118.75 1ueq s GLN 47 Ca 0.40 -1.20 -0.29 0.00 0.02 0.00 0.00 55.36 54.29 1ueq s GLN 47 Cb -0.25 -0.40 -0.04 0.00 1.00 0.00 0.00 33.01 33.32 1ueq s GLN 47 CO 0.31 0.04 1.76 0.08 -2.12 0.00 0.00 175.29 175.35 1ueq s VAL 48 N -2.81 3.50 -0.05 1.09 1.01 -0.15 -1.13 120.40 121.86 1ueq s VAL 48 Ca 0.07 0.56 -0.25 0.00 0.00 0.00 0.00 61.98 62.36 1ueq s VAL 48 Cb -0.00 -3.52 -0.20 0.00 0.00 0.00 0.00 36.38 32.66 1ueq s VAL 48 CO -0.02 -0.22 1.05 0.50 0.00 0.00 0.00 175.10 176.41 1ueq h LYS 49 N 11.43 -0.08 -4.07 2.72 3.64 -1.07 -3.00 116.57 126.15 1ueq h LYS 49 Ca -0.37 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 58.90 1ueq h LYS 49 Cb 1.18 0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 32.87 1ueq h LYS 49 CO 0.99 0.47 -0.50 -1.12 -2.27 0.00 0.00 179.45 177.02 1ueq s SER 50 N -5.69 0.24 -0.05 4.20 0.01 -1.09 -4.82 113.70 106.50 1ueq s SER 50 Ca -0.15 -0.90 0.04 0.00 1.31 0.00 0.00 55.95 56.24 1ueq s SER 50 Cb 0.00 0.31 -0.02 0.00 0.21 0.00 0.00 66.02 66.52 1ueq s SER 50 CO 0.61 -0.73 -0.16 -0.69 0.41 0.00 0.00 173.24 172.69 1ueq s VAL 51 N -3.94 2.94 0.01 3.43 1.01 -1.26 -0.73 120.40 121.86 1ueq s VAL 51 Ca 0.12 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 1ueq s VAL 51 Cb 0.06 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1ueq s VAL 51 CO -0.06 0.58 1.20 -0.63 0.00 0.00 0.00 175.10 176.19 1ueq s ILE 52 N -0.60 4.15 0.17 2.22 -1.09 0.51 -4.91 121.20 121.65 1ueq s ILE 52 Ca 0.09 1.52 -0.30 0.00 -2.23 0.00 0.00 60.65 59.73 1ueq s ILE 52 Cb -0.11 -3.98 -0.08 0.00 -1.58 0.00 0.00 42.46 36.71 1ueq s ILE 52 CO 0.01 0.06 1.32 -2.16 -1.23 0.00 0.00 174.94 172.94 1ueq s PRO 53 N 1.59 4.38 -0.49 2.79 0.04 -1.26 -1.94 135.00 140.11 1ueq s PRO 53 Ca 0.57 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.65 1ueq s PRO 53 Cb -0.27 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1ueq s PRO 53 CO 0.26 -0.29 0.00 -3.47 0.04 0.00 0.00 177.00 173.54 1ueq n ASP 54 N 3.02 -5.07 -4.93 6.66 2.03 -1.26 -5.01 116.55 111.98 1ueq n ASP 54 Ca 0.08 0.11 -0.25 0.00 0.52 0.00 0.00 54.79 55.25 1ueq n ASP 54 Cb 0.43 -2.98 0.05 0.00 -0.72 0.00 0.00 41.12 37.89 1ueq n ASP 54 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1ueq s GLY 55 N -2.26 1.67 0.35 0.27 0.00 -0.82 -4.88 107.32 101.65 1ueq s GLY 55 Ca 0.00 -0.91 0.05 0.00 0.00 0.00 0.00 44.72 43.86 1ueq s GLY 55 CO 0.00 -0.58 1.91 -0.56 0.00 0.00 0.00 173.10 173.86 1ueq h PRO 56 N -0.27 0.53 -0.61 2.90 0.13 -1.85 -0.96 132.00 131.86 1ueq h PRO 56 Ca -0.45 -0.10 -0.09 0.00 -0.87 0.00 0.00 66.00 64.50 1ueq h PRO 56 Cb 1.29 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1ueq h PRO 56 CO 0.59 0.52 0.03 0.00 -0.23 0.00 0.00 178.00 178.91 1ueq h ALA 57 N 1.54 0.82 -0.72 -0.56 0.00 -1.89 -0.73 119.26 117.72 1ueq h ALA 57 Ca 0.12 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1ueq h ALA 57 Cb 0.26 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1ueq h ALA 57 CO 0.00 0.64 0.23 0.00 0.00 0.00 0.00 179.25 180.12 1ueq h ALA 58 N 1.00 0.94 -0.39 0.00 0.00 -1.42 -0.11 119.26 119.28 1ueq h ALA 58 Ca 0.18 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1ueq h ALA 58 Cb 0.53 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ueq h ALA 58 CO 0.03 0.62 -0.22 1.96 0.00 0.00 0.00 179.25 181.64 1ueq h GLN 59 N 1.06 0.77 0.00 0.00 4.20 -0.96 -2.05 115.11 118.13 1ueq h GLN 59 Ca 0.23 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 1ueq h GLN 59 Cb 0.30 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1ueq h GLN 59 CO -0.01 0.92 -0.25 0.22 -0.67 0.00 0.00 178.83 179.04 1ueq h ASP 60 N 0.67 0.00 0.00 1.46 3.58 -1.02 -3.47 116.42 117.63 1ueq h ASP 60 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1ueq h ASP 60 Cb 0.72 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.77 1ueq h ASP 60 CO 0.06 0.25 0.00 0.61 -2.88 0.00 0.00 179.24 177.28 1ueq n GLY 61 N -0.01 2.89 0.12 -0.78 0.00 -0.06 -4.85 105.19 102.51 1ueq n GLY 61 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1ueq n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ueq h LYS 62 N 1.64 0.36 -6.24 1.61 1.57 -1.86 -3.44 116.57 110.22 1ueq h LYS 62 Ca 0.00 -0.62 -0.56 0.00 -1.87 0.00 0.00 60.65 57.60 1ueq h LYS 62 Cb 0.00 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1ueq h LYS 62 CO 0.00 1.28 1.05 1.41 -0.57 0.00 0.00 179.45 182.62 1ueq s MET 63 N -2.62 4.07 0.19 3.15 1.75 -1.26 -4.99 119.30 119.59 1ueq s MET 63 Ca -0.07 1.88 0.01 0.00 -1.25 0.00 0.00 55.69 56.26 1ueq s MET 63 Cb 0.06 -3.94 -0.05 0.00 2.84 0.00 0.00 34.83 33.74 1ueq s MET 63 CO 0.90 -0.95 0.04 -1.21 -0.65 0.00 0.00 175.02 173.14 1ueq s GLU 64 N 4.10 1.16 -0.56 4.11 2.02 -1.26 -4.73 118.70 123.54 1ueq s GLU 64 Ca 0.68 -1.58 -0.15 0.00 0.02 0.00 0.00 54.97 53.93 1ueq s GLU 64 Cb -0.28 -0.19 0.14 0.00 0.10 0.00 0.00 34.13 33.91 1ueq s GLU 64 CO 0.26 -0.19 0.52 0.99 0.02 0.00 0.00 175.26 176.85 1ueq s THR 65 N -3.74 5.17 0.00 3.63 2.01 -1.26 -3.22 115.64 118.23 1ueq s THR 65 Ca 0.28 -1.63 0.00 0.00 0.31 0.00 0.00 61.69 60.65 1ueq s THR 65 Cb 0.07 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.27 1ueq s THR 65 CO 0.06 -0.88 0.00 0.61 -0.69 0.00 0.00 174.62 173.72 1ueq n GLY 66 N 5.09 0.63 3.72 4.40 0.00 -1.13 -4.93 105.19 112.96 1ueq n GLY 66 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1ueq n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ueq s ASP 67 N -0.63 3.63 -0.22 1.61 1.11 -1.20 -4.59 116.67 116.39 1ueq s ASP 67 Ca 0.00 1.66 -0.04 0.00 0.18 0.00 0.00 52.55 54.36 1ueq s ASP 67 Cb 0.00 -2.33 -0.01 0.00 1.07 0.00 0.00 42.92 41.65 1ueq s ASP 67 CO 0.00 -2.57 -0.04 -0.69 1.18 0.00 0.00 175.17 173.05 1ueq s VAL 68 N -2.87 3.38 -0.35 -1.27 1.01 -0.49 -0.97 120.40 118.83 1ueq s VAL 68 Ca 0.63 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 1ueq s VAL 68 Cb -0.18 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 1ueq s VAL 68 CO 0.57 0.43 1.74 -0.63 0.00 0.00 0.00 175.10 177.21 1ueq s ILE 69 N 1.41 3.54 -0.22 2.22 1.09 -0.21 -1.62 121.20 127.40 1ueq s ILE 69 Ca 0.05 0.54 -0.18 0.00 -1.10 0.00 0.00 60.65 59.96 1ueq s ILE 69 Cb -0.14 -3.74 -0.14 0.00 -1.06 0.00 0.00 42.46 37.37 1ueq s ILE 69 CO -0.03 -0.49 -0.05 0.52 -0.10 0.00 0.00 174.94 174.80 1ueq n VAL 70 N 7.35 1.52 -4.13 2.92 0.31 -0.86 -4.26 118.33 121.19 1ueq n VAL 70 Ca 0.22 -0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 64.32 1ueq n VAL 70 Cb 0.47 -2.05 -0.11 0.00 -0.91 0.00 0.00 33.84 31.24 1ueq n VAL 70 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1ueq s TYR 71 N -2.43 0.86 -0.02 3.52 2.02 -1.24 -1.66 117.35 118.40 1ueq s TYR 71 Ca -0.30 -0.67 0.02 0.00 -0.37 0.00 0.00 57.07 55.74 1ueq s TYR 71 Cb 0.08 -0.50 0.01 0.00 -0.40 0.00 0.00 41.96 41.15 1ueq s TYR 71 CO 0.51 -0.08 -0.05 0.42 -1.57 0.00 0.00 175.55 174.77 1ueq s ILE 72 N -2.37 0.51 0.00 2.71 1.01 -0.49 -2.50 121.20 120.07 1ueq s ILE 72 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1ueq s ILE 72 Cb -0.03 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 41.96 1ueq s ILE 72 CO -0.01 0.18 0.00 0.59 0.00 0.00 0.00 174.94 175.70 1ueq n ASN 73 N 3.48 0.00 -0.57 3.58 4.13 0.11 -1.23 115.26 124.75 1ueq n ASN 73 Ca -0.19 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.07 1ueq n ASN 73 Cb 0.54 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 1ueq n ASN 73 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1ueq n GLU 74 N 0.00 0.00 -4.48 3.52 2.13 -1.26 -4.60 120.64 115.95 1ueq n GLU 74 Ca 0.00 -0.92 -0.25 0.00 0.66 0.00 0.00 57.16 56.65 1ueq n GLU 74 Cb 0.00 -0.38 -0.17 0.00 0.27 0.00 0.00 31.44 31.16 1ueq n GLU 74 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1ueq s VAL 75 N 0.00 1.12 0.03 6.31 1.01 -0.36 -5.12 120.40 123.38 1ueq s VAL 75 Ca 0.02 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 1ueq s VAL 75 Cb 0.03 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1ueq s VAL 75 CO -0.01 0.36 1.12 0.00 0.00 0.00 0.00 175.10 176.57 1ueq n VAL 77 N 4.00 0.54 0.32 0.00 0.24 -0.67 -4.85 118.33 117.91 1ueq n VAL 77 Ca 0.08 -0.56 0.21 0.00 -2.04 0.00 0.00 64.34 62.03 1ueq n VAL 77 Cb 0.48 0.69 1.08 0.00 -1.47 0.00 0.00 33.84 34.62 1ueq n VAL 77 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 1ueq h LEU 78 N 0.00 0.00 -3.61 1.34 8.10 -1.64 0.71 115.31 120.21 1ueq h LEU 78 Ca 0.00 0.00 -0.21 0.00 0.11 0.00 0.00 57.88 57.78 1ueq h LEU 78 Cb 0.80 0.00 -0.28 0.00 -0.44 0.00 0.00 40.66 40.74 1ueq h LEU 78 CO 0.00 0.01 -0.85 0.61 -4.11 0.00 0.00 178.44 174.10 1ueq n GLY 79 N -0.92 3.45 3.84 0.17 0.00 -1.26 -4.36 105.19 106.11 1ueq n GLY 79 Ca -0.02 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 1ueq n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ueq s HIS 80 N -2.41 3.25 0.48 1.61 3.76 0.24 -3.86 115.29 118.36 1ueq s HIS 80 Ca 0.37 1.28 -0.19 0.00 -0.15 0.00 0.00 55.06 56.37 1ueq s HIS 80 Cb 0.37 -2.90 -0.09 0.00 1.11 0.00 0.00 32.58 31.08 1ueq s HIS 80 CO -0.07 -1.15 0.99 -0.08 -0.85 0.00 0.00 174.74 173.58 1ueq s THR 81 N -3.15 4.19 0.40 1.30 -1.32 -1.26 -4.35 115.64 111.44 1ueq s THR 81 Ca 0.58 1.26 0.12 0.00 -1.21 0.00 0.00 61.69 62.44 1ueq s THR 81 Cb -0.13 -3.56 0.33 0.00 -1.51 0.00 0.00 72.50 67.63 1ueq s THR 81 CO 0.54 -0.39 1.93 -0.74 -2.21 0.00 0.00 174.62 173.75 1ueq h HIS 82 N 1.46 0.60 -0.01 9.09 2.76 -1.86 -2.16 115.15 125.03 1ueq h HIS 82 Ca -0.48 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 57.73 1ueq h HIS 82 Cb 1.20 -0.19 -0.05 0.00 1.55 0.00 0.00 27.41 29.92 1ueq h HIS 82 CO 0.60 0.26 -0.27 0.00 -1.30 0.00 0.00 177.93 177.22 1ueq h ALA 83 N 1.64 -0.37 -0.10 5.26 0.00 -1.92 0.83 119.26 124.59 1ueq h ALA 83 Ca 0.35 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1ueq h ALA 83 Cb 0.64 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ueq h ALA 83 CO -0.12 -0.78 -0.01 0.22 0.00 0.00 0.00 179.25 178.56 1ueq h ASP 84 N -0.41 0.19 -0.62 0.00 3.58 -1.80 -1.46 116.42 115.89 1ueq h ASP 84 Ca 0.06 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.16 1ueq h ASP 84 Cb 0.50 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.47 1ueq h ASP 84 CO -0.24 0.49 0.34 0.58 -2.88 0.00 0.00 179.24 177.52 1ueq h VAL 85 N -0.11 1.20 -0.76 2.25 2.07 -1.34 0.86 116.25 120.42 1ueq h VAL 85 Ca 0.03 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1ueq h VAL 85 Cb 0.40 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1ueq h VAL 85 CO 0.01 0.22 0.27 0.58 0.02 0.00 0.00 177.57 178.67 1ueq h VAL 86 N 0.85 1.26 -0.70 2.57 2.07 -0.79 -1.20 116.25 120.30 1ueq h VAL 86 Ca 0.22 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 1ueq h VAL 86 Cb 0.05 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1ueq h VAL 86 CO -0.03 0.34 0.25 0.07 0.02 0.00 0.00 177.57 178.22 1ueq h LYS 87 N 1.11 1.06 -0.14 1.57 5.09 -0.30 0.27 116.57 125.23 1ueq h LYS 87 Ca 0.25 -0.20 -0.05 0.00 0.09 0.00 0.00 60.65 60.75 1ueq h LYS 87 Cb 0.25 -0.17 -0.01 0.00 0.10 0.00 0.00 32.23 32.40 1ueq h LYS 87 CO -0.02 0.88 -0.13 -0.07 -2.09 0.00 0.00 179.45 178.03 1ueq h LEU 88 N 1.03 0.20 0.04 7.07 3.38 -0.30 -0.01 115.31 126.71 1ueq h LEU 88 Ca 0.23 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 1ueq h LEU 88 Cb 0.24 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1ueq h LEU 88 CO -0.02 0.35 -0.45 -0.26 0.09 0.00 0.00 178.44 178.16 1ueq h PHE 89 N 0.20 0.38 0.00 1.13 0.04 -0.70 -3.36 116.94 114.63 1ueq h PHE 89 Ca 0.04 -0.23 -0.05 0.00 2.80 0.00 0.00 57.97 60.53 1ueq h PHE 89 Cb 0.36 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1ueq h PHE 89 CO 0.00 1.10 -0.25 1.96 -0.60 0.00 0.00 178.31 180.52 1ueq h GLN 90 N -0.45 0.00 0.00 1.51 4.20 -0.56 -2.31 115.11 117.50 1ueq h GLN 90 Ca -0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1ueq h GLN 90 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1ueq h GLN 90 CO 0.09 0.25 0.00 0.45 -0.67 0.00 0.00 178.83 178.94 1ueq n SER 91 N -4.22 0.55 -4.59 1.46 2.88 -0.05 -4.63 113.62 105.01 1ueq n SER 91 Ca -0.02 0.71 -0.43 0.00 -1.33 0.00 0.00 58.87 57.80 1ueq n SER 91 Cb 0.30 -0.80 -0.04 0.00 -0.75 0.00 0.00 64.21 62.93 1ueq n SER 91 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1ueq s VAL 92 N -3.43 4.51 0.90 2.46 1.01 -0.87 -5.04 120.40 119.94 1ueq s VAL 92 Ca 0.00 1.00 -0.12 0.00 0.00 0.00 0.00 61.98 62.86 1ueq s VAL 92 Cb 0.07 -4.40 0.13 0.00 0.00 0.00 0.00 36.38 32.18 1ueq s VAL 92 CO 0.25 -0.70 1.13 -2.16 0.00 0.00 0.00 175.10 173.62 1ueq s PRO 93 N 3.66 1.27 0.34 2.72 0.04 -1.26 -4.98 135.00 136.79 1ueq s PRO 93 Ca 0.38 0.34 -0.29 0.00 0.04 0.00 0.00 61.00 61.48 1ueq s PRO 93 Cb -0.11 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 1ueq s PRO 93 CO 0.23 -2.12 1.37 0.42 0.04 0.00 0.00 177.00 176.94 1ueq s ILE 94 N -3.26 2.53 0.00 0.56 1.01 -1.26 -2.90 121.20 117.88 1ueq s ILE 94 Ca 0.63 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.81 1ueq s ILE 94 Cb -0.15 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 38.99 1ueq s ILE 94 CO 0.53 0.12 0.00 0.61 0.00 0.00 0.00 174.94 176.21 1ueq n GLY 95 N 0.83 2.33 3.93 6.18 0.00 -0.50 -4.98 105.19 112.98 1ueq n GLY 95 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1ueq n GLY 95 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ueq s GLN 96 N -0.23 1.77 0.09 1.61 -1.52 -1.14 -4.77 119.66 115.47 1ueq s GLN 96 Ca 0.00 -0.34 0.03 0.00 -1.95 0.00 0.00 55.36 53.10 1ueq s GLN 96 Cb 0.00 -2.09 -0.04 0.00 -0.22 0.00 0.00 33.01 30.67 1ueq s GLN 96 CO 0.00 -1.57 -0.09 -1.54 -0.25 0.00 0.00 175.29 171.84 1ueq s SER 97 N -4.63 1.31 0.01 5.90 1.04 -1.26 -0.59 113.70 115.47 1ueq s SER 97 Ca 0.64 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1ueq s SER 97 Cb -0.09 0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.06 1ueq s SER 97 CO 0.47 -0.31 -0.01 0.68 0.98 0.00 0.00 173.24 175.04 1ueq s VAL 98 N -2.68 0.09 0.24 5.02 -7.23 -0.86 -4.99 120.40 109.99 1ueq s VAL 98 Ca 0.06 -0.26 -0.22 0.00 -1.81 0.00 0.00 61.98 59.74 1ueq s VAL 98 Cb -0.01 -0.12 -0.09 0.00 0.56 0.00 0.00 36.38 36.72 1ueq s VAL 98 CO -0.01 -0.11 0.79 0.20 -0.31 0.00 0.00 175.10 175.66 1ueq s ASN 99 N -0.39 7.20 -0.19 4.85 -0.87 -1.26 -2.01 114.94 122.27 1ueq s ASN 99 Ca -0.04 1.58 -0.04 0.00 -1.57 0.00 0.00 52.86 52.79 1ueq s ASN 99 Cb -0.03 -2.48 0.09 0.00 -0.02 0.00 0.00 41.25 38.81 1ueq s ASN 99 CO -0.00 0.04 0.21 -0.76 -2.57 0.00 0.00 177.10 174.02 1ueq s LEU 100 N -1.83 -0.08 -0.06 0.60 1.43 0.44 0.04 118.68 119.21 1ueq s LEU 100 Ca 0.43 -0.19 -0.20 0.00 -1.03 0.00 0.00 54.13 53.14 1ueq s LEU 100 Cb -0.18 0.35 -0.04 0.00 0.03 0.00 0.00 46.19 46.34 1ueq s LEU 100 CO 0.23 -0.32 0.58 -0.69 0.23 0.00 0.00 176.35 176.38 1ueq s VAL 101 N 2.32 5.04 0.32 -1.59 1.01 -1.04 -1.83 120.40 124.63 1ueq s VAL 101 Ca 0.06 1.19 0.10 0.00 0.00 0.00 0.00 61.98 63.34 1ueq s VAL 101 Cb -0.15 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 1ueq s VAL 101 CO -0.11 0.35 -0.11 -0.76 0.00 0.00 0.00 175.10 174.46 1ueq s LEU 102 N 0.33 2.75 -0.05 3.92 1.43 -0.43 -2.02 118.68 124.61 1ueq s LEU 102 Ca 0.31 -1.08 0.04 0.00 -1.03 0.00 0.00 54.13 52.37 1ueq s LEU 102 Cb -0.17 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.92 1ueq s LEU 102 CO 0.15 -0.11 -0.15 0.00 0.23 0.00 0.00 176.35 176.47 1ueq s ARG 104 N 0.21 3.21 0.00 0.00 3.52 0.40 -1.40 118.95 124.90 1ueq s ARG 104 Ca -0.07 -0.73 0.00 0.00 -0.13 0.00 0.00 55.73 54.80 1ueq s ARG 104 Cb -0.12 -2.82 0.00 0.00 -1.56 0.00 0.00 34.95 30.44 1ueq s ARG 104 CO 0.03 0.50 0.00 0.41 -0.81 0.00 0.00 175.30 175.42 1ueq n GLY 105 N -0.55 0.36 3.77 8.12 0.00 -1.26 -2.60 105.19 113.03 1ueq n GLY 105 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1ueq n GLY 105 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ueq s TYR 106 N -2.13 2.56 0.82 1.61 1.51 -1.26 -5.00 117.35 115.47 1ueq s TYR 106 Ca 0.00 1.54 -0.12 0.00 -1.01 0.00 0.00 57.07 57.49 1ueq s TYR 106 Cb 0.00 -3.31 0.09 0.00 -0.11 0.00 0.00 41.96 38.63 1ueq s TYR 106 CO 0.00 -1.80 1.11 -1.25 -1.11 0.00 0.00 175.55 172.50 1ueq s PRO 107 N -3.54 1.87 0.77 -1.71 0.04 -1.26 -4.80 135.00 126.37 1ueq s PRO 107 Ca 0.72 0.51 -0.13 0.00 0.04 0.00 0.00 61.00 62.15 1ueq s PRO 107 Cb -0.25 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.45 1ueq s PRO 107 CO 0.33 -1.74 1.14 -0.51 0.04 0.00 0.00 177.00 176.26 1ueq s LEU 108 N -5.81 3.15 -0.11 -3.56 1.43 -1.26 -4.94 118.68 107.58 1ueq s LEU 108 Ca 0.61 2.10 -0.20 0.00 -1.03 0.00 0.00 54.13 55.61 1ueq s LEU 108 Cb -0.14 -4.56 -0.27 0.00 0.03 0.00 0.00 46.19 41.25 1ueq s LEU 108 CO 0.54 -2.26 0.62 1.55 0.23 0.00 0.00 176.35 177.03 1ueq h PRO 109 N -0.81 0.19 -6.40 1.29 0.13 -1.97 -3.44 132.00 120.99 1ueq h PRO 109 Ca -0.45 -0.33 -0.57 0.00 -0.87 0.00 0.00 66.00 63.78 1ueq h PRO 109 Cb 1.26 0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.47 1ueq h PRO 109 CO 0.49 1.16 1.17 0.12 -0.23 0.00 0.00 178.00 180.71 1ueq s PHE 110 N -2.41 2.10 -0.45 1.56 5.36 -1.26 -4.97 117.98 117.90 1ueq s PHE 110 Ca -0.19 0.64 -0.26 0.00 -0.96 0.00 0.00 56.93 56.16 1ueq s PHE 110 Cb 0.03 -4.22 0.03 0.00 -0.34 0.00 0.00 43.02 38.51 1ueq s PHE 110 CO 0.75 -2.48 0.97 -0.51 -1.46 0.00 0.00 175.22 172.48 1ueq s ASP 111 N 5.01 6.55 0.37 6.13 1.01 -1.26 -4.93 116.67 129.56 1ueq s ASP 111 Ca 0.71 0.26 0.21 0.00 0.71 0.00 0.00 52.55 54.43 1ueq s ASP 111 Cb -0.18 -2.47 0.23 0.00 1.01 0.00 0.00 42.92 41.51 1ueq s ASP 111 CO 0.33 -1.06 1.51 1.55 0.21 0.00 0.00 175.17 177.70 1ueq h PRO 112 N 9.02 0.00 0.03 8.23 0.13 -1.94 -3.36 132.00 144.11 1ueq h PRO 112 Ca -0.24 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.76 1ueq h PRO 112 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1ueq h PRO 112 CO 1.04 0.14 -0.67 1.05 -0.23 0.00 0.00 178.00 179.33 1ueq h GLU 113 N 0.00 0.06 -2.13 0.86 -0.00 -2.03 -3.40 114.58 107.94 1ueq h GLU 113 Ca -0.01 -0.11 -0.58 0.00 -0.00 0.00 0.00 59.36 58.66 1ueq h GLU 113 Cb 1.12 0.04 -0.41 0.00 -0.00 0.00 0.00 28.75 29.50 1ueq h GLU 113 CO 0.02 1.05 -0.83 -3.47 -0.00 0.00 0.00 179.01 175.78 1ueq n ASP 114 N -4.41 2.05 0.02 3.06 2.03 -1.26 -5.02 116.55 113.02 1ueq n ASP 114 Ca -0.19 -3.08 0.08 0.00 0.52 0.00 0.00 54.79 52.12 1ueq n ASP 114 Cb 0.64 -0.66 0.36 0.00 -0.72 0.00 0.00 41.12 40.74 1ueq n ASP 114 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1ueq n PRO 115 N 1.17 0.03 0.00 -0.67 -0.04 -1.26 -4.64 135.00 129.59 1ueq n PRO 115 Ca 0.26 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 1ueq n PRO 115 Cb 0.46 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1ueq n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ueq n ALA 116 N -1.54 0.00 -0.56 0.55 0.00 -1.26 -4.90 120.51 112.79 1ueq n ALA 116 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 1ueq n ALA 116 Cb 0.20 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.87 1ueq n ALA 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ueq s ASN 117 N 0.00 1.58 0.65 0.00 6.03 -1.26 -5.01 114.94 116.93 1ueq s ASN 117 Ca 0.00 1.80 -0.18 0.00 -1.03 0.00 0.00 52.86 53.45 1ueq s ASN 117 Cb 0.00 -2.43 -0.01 0.00 -3.03 0.00 0.00 41.25 35.78 1ueq s ASN 117 CO 0.00 -3.87 1.29 -0.94 -2.03 0.00 0.00 177.10 171.55 1ueq s SER 118 N -2.52 4.60 0.89 3.54 1.04 -1.26 -5.03 113.70 114.96 1ueq s SER 118 Ca 0.68 2.61 -0.11 0.00 0.48 0.00 0.00 55.95 59.61 1ueq s SER 118 Cb -0.25 -2.62 0.19 0.00 0.10 0.00 0.00 66.02 63.45 1ueq s SER 118 CO 0.62 -2.01 1.22 -0.83 0.98 0.00 0.00 173.24 173.23 1ueq s GLY 119 N -1.42 1.79 0.09 7.32 0.00 -1.26 -4.98 107.32 108.85 1ueq s GLY 119 Ca 0.82 -1.47 -0.31 0.00 0.00 0.00 0.00 44.72 43.77 1ueq s GLY 119 CO 0.40 -0.73 1.88 2.56 0.00 0.00 0.00 173.10 177.21 1ueq s PRO 120 N -5.66 4.14 0.23 2.90 0.04 -1.26 -4.95 135.00 130.45 1ueq s PRO 120 Ca 0.73 2.60 0.01 0.00 0.04 0.00 0.00 61.00 64.37 1ueq s PRO 120 Cb -0.03 -3.83 -0.04 0.00 0.04 0.00 0.00 34.50 30.64 1ueq s PRO 120 CO 0.50 -0.89 0.18 -1.12 0.04 0.00 0.00 177.00 175.71 1ueq s SER 121 N 3.42 0.51 0.00 6.66 0.01 -1.26 -5.04 113.70 117.99 1ueq s SER 121 Ca 0.84 -1.46 0.27 0.00 1.31 0.00 0.00 55.95 56.91 1ueq s SER 121 Cb -0.45 0.43 0.96 0.00 0.21 0.00 0.00 66.02 67.18 1ueq s SER 121 CO 0.38 -0.91 1.72 -1.54 0.41 0.00 0.00 173.24 173.31 1ueq n SER 122 N -0.58 0.28 0.00 2.44 3.41 -1.26 -5.29 113.62 112.61 1ueq n SER 122 Ca 0.03 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1ueq n SER 122 Cb 0.65 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1ueq n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49