#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 2.02 0.22 1.61 1.04 -1.26 -4.99 113.70 112.33 1ueq s SER 2 Ca 0.00 1.58 0.00 0.00 0.48 0.00 0.00 55.95 58.01 1ueq s SER 2 Cb 0.00 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.86 1ueq s SER 2 CO 0.00 -3.56 0.00 -0.24 0.98 0.00 0.00 173.24 170.42 1ueq n SER 3 N -4.50 -1.47 -0.18 7.02 2.88 -1.26 -5.17 113.62 110.95 1ueq n SER 3 Ca 0.06 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1ueq n SER 3 Cb 0.54 1.55 0.00 0.00 -0.75 0.00 0.00 64.21 65.56 1ueq n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ueq n GLY 4 N -0.38 1.78 2.74 0.46 0.00 -1.26 -5.12 105.19 103.41 1ueq n GLY 4 Ca 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 1ueq n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ueq n SER 5 N -0.09 -8.05 0.00 1.61 3.41 -1.26 -5.04 113.62 104.20 1ueq n SER 5 Ca 0.00 1.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.94 1ueq n SER 5 Cb 0.00 -5.36 0.00 0.00 -0.26 0.00 0.00 64.21 58.59 1ueq n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ueq n SER 6 N 0.59 0.13 -3.89 4.04 7.64 -1.26 -5.12 113.62 115.75 1ueq n SER 6 Ca 0.01 -0.45 0.04 0.00 1.01 0.00 0.00 58.87 59.49 1ueq n SER 6 Cb 0.06 0.36 0.01 0.00 -1.01 0.00 0.00 64.21 63.63 1ueq n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ueq s GLY 7 N -0.36 -0.28 0.00 0.23 0.00 -1.26 -5.13 107.32 100.52 1ueq s GLY 7 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.07 1ueq s GLY 7 CO 0.00 5.13 0.00 1.04 0.00 0.00 0.00 173.10 179.27 1ueq n LEU 8 N -0.86 0.35 -4.95 0.66 4.32 -1.26 -5.02 117.00 110.25 1ueq n LEU 8 Ca 0.02 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.73 1ueq n LEU 8 Cb 0.60 0.00 0.18 0.00 -1.62 0.00 0.00 43.42 42.58 1ueq n LEU 8 CO 0.13 0.00 0.82 0.12 -1.22 0.00 0.00 177.39 177.23 1ueq s PHE 9 N 0.00 1.39 0.00 -1.77 5.36 -1.26 -5.12 117.98 116.58 1ueq s PHE 9 Ca 0.00 0.12 0.00 0.00 -0.96 0.00 0.00 56.93 56.09 1ueq s PHE 9 Cb 0.00 -3.93 0.00 0.00 -0.34 0.00 0.00 43.02 38.75 1ueq s PHE 9 CO 0.00 -2.56 0.00 2.41 -1.46 0.00 0.00 175.22 173.61 1ueq n THR 10 N -3.61 0.00 0.00 0.12 -1.04 -1.26 -5.08 114.28 103.40 1ueq n THR 10 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 1ueq n THR 10 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 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 -0.11 -2.82 1.74 -1.26 -4.97 116.66 109.25 1ueq n ARG 11 Ca 0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.14 1ueq n ARG 11 Cb 0.00 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.52 1ueq n ARG 11 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ueq n ASP 12 N 0.00 1.86 0.00 0.55 -0.08 -1.26 -4.99 116.55 112.63 1ueq n ASP 12 Ca 0.00 -2.60 0.00 0.00 -1.51 0.00 0.00 54.79 50.68 1ueq n ASP 12 Cb 0.00 -0.28 0.00 0.00 2.34 0.00 0.00 41.12 43.18 1ueq n ASP 12 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ueq n ALA 13 N -0.97 0.00 0.48 -1.67 0.00 -1.26 -4.76 120.51 112.32 1ueq n ALA 13 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.66 1ueq n ALA 13 Cb 0.55 -0.42 0.43 0.00 0.00 0.00 0.00 19.45 20.01 1ueq n ALA 13 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ueq h SER 14 N 0.00 0.00 0.77 0.00 4.64 -1.99 -2.65 113.55 114.32 1ueq h SER 14 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ueq h SER 14 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ueq h SER 14 CO 0.00 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 177.52 1ueq h GLN 15 N 0.00 0.00 -7.34 4.77 1.08 -1.98 -3.46 115.11 108.18 1ueq h GLN 15 Ca 0.00 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.70 1ueq h GLN 15 Cb 0.63 0.00 0.13 0.00 -0.05 0.00 0.00 27.48 28.19 1ueq h GLN 15 CO 0.00 0.00 0.30 -0.51 -0.95 0.00 0.00 178.83 177.67 1ueq s LEU 16 N -5.18 2.64 -0.04 1.46 1.43 -1.00 -5.08 118.68 112.92 1ueq s LEU 16 Ca 0.02 1.58 0.04 0.00 -1.03 0.00 0.00 54.13 54.75 1ueq s LEU 16 Cb 0.09 -4.16 -0.00 0.00 0.03 0.00 0.00 46.19 42.15 1ueq s LEU 16 CO 0.44 -2.23 -0.17 -0.54 0.23 0.00 0.00 176.35 174.08 1ueq s LYS 17 N -4.97 1.72 0.00 1.70 -0.14 -1.26 -5.07 119.74 111.72 1ueq s LYS 17 Ca 0.62 -0.58 0.00 0.00 -1.36 0.00 0.00 55.97 54.64 1ueq s LYS 17 Cb -0.17 -1.50 0.00 0.00 -1.68 0.00 0.00 37.83 34.48 1ueq s LYS 17 CO 0.56 0.23 0.00 0.41 -0.76 0.00 0.00 175.35 175.79 1ueq n GLY 18 N 3.16 0.56 3.15 -3.33 0.00 -1.26 -4.64 105.19 102.83 1ueq n GLY 18 Ca -0.18 -1.63 -0.22 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.16 1.24 -0.00 2.61 2.01 -0.54 -4.93 115.64 112.87 1ueq s THR 19 Ca 0.00 -0.88 -0.20 0.00 0.31 0.00 0.00 61.69 60.92 1ueq s THR 19 Cb 0.00 -1.08 -0.05 0.00 0.01 0.00 0.00 72.50 71.38 1ueq s THR 19 CO 0.00 0.18 0.59 -0.36 -0.69 0.00 0.00 174.62 174.35 1ueq s PHE 20 N -0.62 3.68 0.44 4.92 0.40 -1.26 -0.30 117.98 125.23 1ueq s PHE 20 Ca 0.04 1.20 0.07 0.00 -0.60 0.00 0.00 56.93 57.64 1ueq s PHE 20 Cb -0.07 -2.61 -0.04 0.00 0.51 0.00 0.00 43.02 40.82 1ueq s PHE 20 CO 0.01 0.35 0.22 -0.51 0.70 0.00 0.00 175.22 175.99 1ueq s LEU 21 N -0.19 3.04 0.03 -0.37 2.01 -0.14 -4.99 118.68 118.06 1ueq s LEU 21 Ca 0.31 -1.11 -0.11 0.00 0.01 0.00 0.00 54.13 53.23 1ueq s LEU 21 Cb -0.18 -1.42 0.01 0.00 0.01 0.00 0.00 46.19 44.61 1ueq s LEU 21 CO 0.17 -0.65 0.23 -0.94 1.01 0.00 0.00 176.35 176.18 1ueq s SER 22 N -3.97 -0.04 0.10 2.29 1.04 -1.26 -2.68 113.70 109.17 1ueq s SER 22 Ca 0.39 -0.23 -0.17 0.00 0.48 0.00 0.00 55.95 56.42 1ueq s SER 22 Cb 0.02 0.30 0.04 0.00 0.10 0.00 0.00 66.02 66.48 1ueq s SER 22 CO 0.22 -0.53 0.41 0.28 0.98 0.00 0.00 173.24 174.60 1ueq s THR 23 N -2.19 0.06 -0.13 2.02 -1.32 -1.00 -4.96 115.64 108.11 1ueq s THR 23 Ca -0.08 -0.52 -0.01 0.00 -1.21 0.00 0.00 61.69 59.88 1ueq s THR 23 Cb -0.03 -1.09 0.04 0.00 -1.51 0.00 0.00 72.50 69.91 1ueq s THR 23 CO -0.02 -0.28 -0.04 -0.89 -2.21 0.00 0.00 174.62 171.18 1ueq s THR 24 N -3.34 0.87 0.02 5.08 2.01 -1.26 -1.52 115.64 117.49 1ueq s THR 24 Ca 0.00 -0.37 -0.07 0.00 0.31 0.00 0.00 61.69 61.56 1ueq s THR 24 Cb 0.01 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 1ueq s THR 24 CO -0.09 0.19 0.29 -0.76 -0.69 0.00 0.00 174.62 173.56 1ueq s LEU 25 N 1.75 4.37 0.29 4.42 1.43 -1.21 -4.90 118.68 124.83 1ueq s LEU 25 Ca 0.03 0.60 -0.23 0.00 -1.03 0.00 0.00 54.13 53.50 1ueq s LEU 25 Cb -0.14 -2.73 -0.09 0.00 0.03 0.00 0.00 46.19 43.25 1ueq s LEU 25 CO -0.07 0.24 0.85 -0.75 0.23 0.00 0.00 176.35 176.84 1ueq s LYS 26 N -1.80 4.40 -0.84 1.70 2.20 -1.26 -2.43 119.74 121.71 1ueq s LYS 26 Ca 0.29 1.10 -0.25 0.00 -0.36 0.00 0.00 55.97 56.75 1ueq s LYS 26 Cb -0.13 -2.77 -0.02 0.00 -1.51 0.00 0.00 37.83 33.40 1ueq s LYS 26 CO 0.17 0.29 1.80 0.21 -0.36 0.00 0.00 175.35 177.46 1ueq s LYS 27 N -2.15 2.77 0.00 4.03 2.47 0.53 -4.79 119.74 122.61 1ueq s LYS 27 Ca 0.48 -0.19 0.00 0.00 -1.56 0.00 0.00 55.97 54.70 1ueq s LYS 27 Cb -0.17 -4.88 0.00 0.00 -1.46 0.00 0.00 37.83 31.32 1ueq s LYS 27 CO 0.22 -2.96 0.00 0.43 0.16 0.00 0.00 175.35 173.20 1ueq n SER 28 N 12.58 0.00 -0.18 1.43 7.64 -0.45 -1.36 113.62 133.28 1ueq n SER 28 Ca 0.32 -0.56 -0.00 0.00 1.01 0.00 0.00 58.87 59.63 1ueq n SER 28 Cb 0.49 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.78 1ueq n SER 28 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1ueq h ASN 29 N 0.00 -0.01 -2.29 6.43 2.35 -2.02 -1.03 115.58 119.00 1ueq h ASN 29 Ca 0.00 0.11 -0.63 0.00 -0.55 0.00 0.00 56.30 55.22 1ueq h ASN 29 Cb 0.00 0.15 -0.39 0.00 0.05 0.00 0.00 38.32 38.12 1ueq h ASN 29 CO 0.00 0.01 -0.34 0.23 -1.65 0.00 0.00 177.43 175.68 1ueq n MET 30 N -5.13 3.43 0.00 0.81 2.81 -1.26 -5.07 117.12 112.71 1ueq n MET 30 Ca 0.08 -4.79 0.00 0.00 -1.81 0.00 0.00 57.70 51.18 1ueq n MET 30 Cb 0.29 -2.29 0.00 0.00 -0.71 0.00 0.00 33.22 30.52 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 0.10 3.04 3.27 3.03 0.00 -0.39 -4.52 105.19 109.73 1ueq n GLY 31 Ca 0.33 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 2.29 0.00 1.61 0.08 -1.26 -1.34 117.98 119.36 1ueq s PHE 32 Ca 0.00 -0.56 -0.01 0.00 0.12 0.00 0.00 56.93 56.49 1ueq s PHE 32 Cb 0.00 -1.49 -0.02 0.00 -0.57 0.00 0.00 43.02 40.94 1ueq s PHE 32 CO 0.00 -0.12 1.99 0.41 -0.10 0.00 0.00 175.22 177.39 1ueq n GLY 33 N 2.72 2.39 3.22 4.36 0.00 -1.26 -4.77 105.19 111.85 1ueq n GLY 33 Ca -0.17 -0.10 -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 0.24 0.35 0.21 1.61 -0.71 -1.26 -0.54 117.98 117.88 1ueq s PHE 34 Ca 0.06 -0.78 0.09 0.00 -1.04 0.00 0.00 56.93 55.26 1ueq s PHE 34 Cb 0.03 -0.15 -0.05 0.00 -1.21 0.00 0.00 43.02 41.64 1ueq s PHE 34 CO 0.00 -0.57 -0.17 0.95 -1.34 0.00 0.00 175.22 174.09 1ueq s THR 35 N -3.92 1.94 0.30 -4.49 -4.23 0.23 -4.92 115.64 100.55 1ueq s THR 35 Ca 0.11 -2.15 0.10 0.00 -1.18 0.00 0.00 61.69 58.56 1ueq s THR 35 Cb 0.05 -2.04 -0.05 0.00 1.34 0.00 0.00 72.50 71.81 1ueq s THR 35 CO -0.06 -0.45 -0.04 -0.63 -0.54 0.00 0.00 174.62 172.90 1ueq s ILE 36 N -2.53 2.90 0.00 2.99 1.09 -1.26 -0.56 121.20 123.82 1ueq s ILE 36 Ca 0.22 -2.04 0.02 0.00 -1.10 0.00 0.00 60.65 57.75 1ueq s ILE 36 Cb -0.03 -2.71 -0.01 0.00 -1.06 0.00 0.00 42.46 38.65 1ueq s ILE 36 CO 0.09 -0.31 -0.07 -0.51 -0.10 0.00 0.00 174.94 174.04 1ueq s ILE 37 N -2.45 0.56 0.02 2.92 2.07 -0.03 -4.42 121.20 119.88 1ueq s ILE 37 Ca 0.33 -0.44 -0.02 0.00 -1.41 0.00 0.00 60.65 59.11 1ueq s ILE 37 Cb -0.03 -0.50 -0.02 0.00 0.13 0.00 0.00 42.46 42.04 1ueq s ILE 37 CO 0.19 0.06 0.01 -0.83 -1.91 0.00 0.00 174.94 172.46 1ueq s GLY 38 N -0.41 0.23 0.00 1.50 0.00 -1.26 -1.47 107.32 105.91 1ueq s GLY 38 Ca 0.01 -0.61 0.10 0.00 0.00 0.00 0.00 44.72 44.22 1ueq s GLY 38 CO -0.00 -0.70 1.04 0.61 0.00 0.00 0.00 173.10 174.05 1ueq n GLY 39 N 1.24 -0.51 4.30 0.20 0.00 -1.26 -4.84 105.19 104.31 1ueq n GLY 39 Ca -0.22 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1ueq n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ueq n ASP 40 N -0.80 0.00 -4.74 1.61 2.03 -1.26 -4.95 116.55 108.43 1ueq n ASP 40 Ca 0.07 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.97 1ueq n ASP 40 Cb 0.03 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.41 1ueq n ASP 40 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ueq s GLU 41 N 0.00 4.34 0.00 -0.67 2.02 -1.26 -4.77 118.70 118.36 1ueq s GLU 41 Ca 0.00 2.17 -0.01 0.00 0.02 0.00 0.00 54.97 57.16 1ueq s GLU 41 Cb 0.00 -3.14 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 1ueq s GLU 41 CO 0.00 -0.31 1.75 -0.35 0.02 0.00 0.00 175.26 176.37 1ueq n PRO 42 N 2.25 0.89 0.00 0.39 -0.04 -1.26 -2.34 135.00 134.89 1ueq n PRO 42 Ca 0.05 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1ueq n PRO 42 Cb 0.42 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1ueq n PRO 42 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ueq n ASP 43 N 1.78 0.00 -4.80 3.54 2.03 -1.22 -4.71 116.55 113.18 1ueq n ASP 43 Ca 0.05 -0.72 -0.35 0.00 0.52 0.00 0.00 54.79 54.30 1ueq n ASP 43 Cb 0.43 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.79 1ueq n ASP 43 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1ueq s GLU 44 N 0.00 3.99 0.33 -0.67 2.12 -0.99 -4.89 118.70 118.59 1ueq s GLU 44 Ca 0.00 1.38 -0.27 0.00 0.36 0.00 0.00 54.97 56.44 1ueq s GLU 44 Cb 0.00 -2.26 -0.09 0.00 0.26 0.00 0.00 34.13 32.04 1ueq s GLU 44 CO 0.00 -0.27 1.03 -0.06 -0.54 0.00 0.00 175.26 175.42 1ueq s PHE 45 N -1.90 3.55 0.12 5.30 0.08 -1.26 -4.47 117.98 119.40 1ueq s PHE 45 Ca 0.63 1.73 -0.19 0.00 0.12 0.00 0.00 56.93 59.22 1ueq s PHE 45 Cb -0.17 -3.11 -0.07 0.00 -0.57 0.00 0.00 43.02 39.10 1ueq s PHE 45 CO 0.21 -0.28 0.61 -0.51 -0.10 0.00 0.00 175.22 175.16 1ueq s LEU 46 N -1.97 4.46 0.11 -0.37 1.43 -1.26 -4.50 118.68 116.59 1ueq s LEU 46 Ca 0.50 1.29 0.05 0.00 -1.03 0.00 0.00 54.13 54.94 1ueq s LEU 46 Cb -0.25 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 1ueq s LEU 46 CO 0.31 0.19 -0.12 -1.10 0.23 0.00 0.00 176.35 175.86 1ueq s GLN 47 N -1.44 0.94 -0.34 1.70 -0.21 -0.54 -1.29 119.66 118.48 1ueq s GLN 47 Ca 0.34 -1.20 -0.28 0.00 0.02 0.00 0.00 55.36 54.24 1ueq s GLN 47 Cb -0.18 -0.74 -0.04 0.00 1.00 0.00 0.00 33.01 33.05 1ueq s GLN 47 CO 0.20 0.13 2.03 0.08 -2.12 0.00 0.00 175.29 175.62 1ueq s VAL 48 N -2.25 3.24 0.10 1.09 1.01 0.47 -0.85 120.40 123.21 1ueq s VAL 48 Ca 0.07 0.23 -0.27 0.00 0.00 0.00 0.00 61.98 62.01 1ueq s VAL 48 Cb -0.04 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.86 1ueq s VAL 48 CO 0.02 -0.27 1.66 0.50 0.00 0.00 0.00 175.10 177.00 1ueq h LYS 49 N 14.76 -0.42 -3.36 2.72 3.64 -1.04 -2.21 116.57 130.66 1ueq h LYS 49 Ca -0.34 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.03 1ueq h LYS 49 Cb 1.21 0.10 -0.12 0.00 -0.41 0.00 0.00 32.23 33.00 1ueq h LYS 49 CO 1.04 -0.28 -0.03 -1.54 -2.27 0.00 0.00 179.45 176.37 1ueq s SER 50 N -4.83 -0.26 -0.19 4.20 1.04 -1.12 -4.73 113.70 107.81 1ueq s SER 50 Ca -0.15 -0.35 -0.05 0.00 0.48 0.00 0.00 55.95 55.87 1ueq s SER 50 Cb 0.07 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 1ueq s SER 50 CO 0.65 -0.92 -0.01 -0.69 0.98 0.00 0.00 173.24 173.26 1ueq s VAL 51 N -3.82 3.96 0.15 5.02 1.01 -1.26 -0.60 120.40 124.86 1ueq s VAL 51 Ca 0.05 -0.32 -0.31 0.00 0.00 0.00 0.00 61.98 61.40 1ueq s VAL 51 Cb 0.01 -2.77 -0.08 0.00 0.00 0.00 0.00 36.38 33.53 1ueq s VAL 51 CO -0.09 0.45 1.34 -0.63 0.00 0.00 0.00 175.10 176.17 1ueq s ILE 52 N 0.79 3.29 0.81 2.22 1.09 0.30 -4.97 121.20 124.73 1ueq s ILE 52 Ca -0.00 0.98 -0.11 0.00 -1.10 0.00 0.00 60.65 60.42 1ueq s ILE 52 Cb -0.14 -3.63 0.09 0.00 -1.06 0.00 0.00 42.46 37.71 1ueq s ILE 52 CO 0.02 0.11 1.13 -2.16 -0.10 0.00 0.00 174.94 173.94 1ueq s PRO 53 N 0.51 1.78 0.00 2.79 0.04 -1.26 -3.10 135.00 135.76 1ueq s PRO 53 Ca 0.60 1.43 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1ueq s PRO 53 Cb -0.36 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1ueq s PRO 53 CO 0.34 -2.05 0.00 -0.25 0.04 0.00 0.00 177.00 175.08 1ueq n ASP 54 N -3.60 0.00 -4.78 6.66 9.92 -1.26 -4.94 116.55 118.54 1ueq n ASP 54 Ca 0.11 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.12 1ueq n ASP 54 Cb 0.52 -1.95 0.09 0.00 -0.64 0.00 0.00 41.12 39.13 1ueq n ASP 54 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1ueq s GLY 55 N -1.94 1.74 0.43 0.44 0.00 -1.18 -4.83 107.32 101.99 1ueq s GLY 55 Ca 0.00 -1.21 0.19 0.00 0.00 0.00 0.00 44.72 43.70 1ueq s GLY 55 CO 0.00 -0.74 1.91 -0.56 0.00 0.00 0.00 173.10 173.71 1ueq h PRO 56 N -0.59 0.00 -0.19 2.90 0.13 -1.88 -0.07 132.00 132.30 1ueq h PRO 56 Ca -0.42 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.62 1ueq h PRO 56 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1ueq h PRO 56 CO 0.52 0.26 -0.24 0.00 -0.23 0.00 0.00 178.00 178.31 1ueq h ALA 57 N 1.74 0.29 -0.13 -0.56 0.00 -1.89 -1.24 119.26 117.46 1ueq h ALA 57 Ca -0.00 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1ueq h ALA 57 Cb 0.54 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1ueq h ALA 57 CO 0.03 0.25 -0.04 0.00 0.00 0.00 0.00 179.25 179.50 1ueq h ALA 58 N 0.62 0.08 -0.72 0.00 0.00 -1.64 -3.10 119.26 114.50 1ueq h ALA 58 Ca 0.02 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1ueq h ALA 58 Cb 0.80 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1ueq h ALA 58 CO 0.06 -0.49 0.43 1.96 0.00 0.00 0.00 179.25 181.21 1ueq h GLN 59 N -0.01 0.78 0.00 0.00 4.20 -0.86 -1.60 115.11 117.61 1ueq h GLN 59 Ca 0.06 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1ueq h GLN 59 Cb 0.10 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1ueq h GLN 59 CO -0.14 0.51 0.00 0.22 -0.67 0.00 0.00 178.83 178.75 1ueq h ASP 60 N 0.80 0.00 0.00 1.46 3.58 -1.16 -3.46 116.42 117.64 1ueq h ASP 60 Ca 0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1ueq h ASP 60 Cb 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 1ueq h ASP 60 CO -0.16 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.81 1ueq n GLY 61 N -0.27 3.10 0.08 -0.78 0.00 -0.60 -4.77 105.19 101.95 1ueq n GLY 61 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 1.43 0.00 -6.41 1.61 6.56 -1.84 -3.43 116.57 114.50 1ueq h LYS 62 Ca 0.00 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 59.02 1ueq h LYS 62 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.61 1ueq h LYS 62 CO 0.00 0.82 1.04 1.41 -2.06 0.00 0.00 179.45 180.66 1ueq s MET 63 N -2.78 3.75 0.14 3.15 1.75 -1.24 -4.97 119.30 119.10 1ueq s MET 63 Ca 0.01 1.18 0.03 0.00 -1.25 0.00 0.00 55.69 55.66 1ueq s MET 63 Cb 0.09 -3.97 -0.04 0.00 2.84 0.00 0.00 34.83 33.75 1ueq s MET 63 CO 0.80 -1.34 -0.06 -1.21 -0.65 0.00 0.00 175.02 172.56 1ueq s GLU 64 N 4.58 1.00 0.09 4.11 2.02 -1.26 -4.52 118.70 124.71 1ueq s GLU 64 Ca 0.61 -1.44 -0.26 0.00 0.02 0.00 0.00 54.97 53.90 1ueq s GLU 64 Cb -0.17 -0.37 -0.06 0.00 0.10 0.00 0.00 34.13 33.63 1ueq s GLU 64 CO 0.28 -0.02 0.81 0.99 0.02 0.00 0.00 175.26 177.34 1ueq s THR 65 N -3.53 4.57 0.00 3.63 2.01 -1.26 -3.26 115.64 117.80 1ueq s THR 65 Ca 0.17 1.74 0.00 0.00 0.31 0.00 0.00 61.69 63.91 1ueq s THR 65 Cb 0.05 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.39 1ueq s THR 65 CO -0.00 0.40 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 1ueq n GLY 66 N 2.13 1.23 3.75 4.40 0.00 -0.83 -4.92 105.19 110.96 1ueq n GLY 66 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.03 5.12 -0.27 1.61 1.11 -1.20 -4.66 116.67 115.35 1ueq s ASP 67 Ca 0.00 2.30 -0.08 0.00 0.18 0.00 0.00 52.55 54.95 1ueq s ASP 67 Cb 0.00 -2.59 -0.02 0.00 1.07 0.00 0.00 42.92 41.38 1ueq s ASP 67 CO 0.00 -1.63 0.11 -0.69 1.18 0.00 0.00 175.17 174.13 1ueq s VAL 68 N -1.78 4.45 -0.43 -1.27 1.01 0.09 -0.40 120.40 122.08 1ueq s VAL 68 Ca 0.75 -0.26 -0.28 0.00 0.00 0.00 0.00 61.98 62.19 1ueq s VAL 68 Cb -0.28 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1ueq s VAL 68 CO 0.35 0.23 1.91 -0.63 0.00 0.00 0.00 175.10 176.96 1ueq s ILE 69 N 1.62 3.36 -0.15 2.22 1.09 -0.41 -1.21 121.20 127.72 1ueq s ILE 69 Ca 0.06 0.32 -0.10 0.00 -1.10 0.00 0.00 60.65 59.82 1ueq s ILE 69 Cb -0.16 -3.63 -0.05 0.00 -1.06 0.00 0.00 42.46 37.56 1ueq s ILE 69 CO 0.05 -0.49 -0.10 0.58 -0.10 0.00 0.00 174.94 174.88 1ueq h VAL 70 N 6.95 0.15 -4.01 2.92 2.07 -1.51 -3.39 116.25 119.43 1ueq h VAL 70 Ca -0.31 -1.18 -0.40 0.00 0.82 0.00 0.00 66.70 65.63 1ueq h VAL 70 Cb 1.18 0.35 -0.24 0.00 -1.52 0.00 0.00 31.29 31.06 1ueq h VAL 70 CO 1.10 0.05 -0.78 -0.31 0.02 0.00 0.00 177.57 177.65 1ueq s TYR 71 N -2.20 1.05 -0.16 1.57 2.02 -1.17 -1.23 117.35 117.21 1ueq s TYR 71 Ca -0.16 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 1ueq s TYR 71 Cb 0.02 -0.62 0.02 0.00 -0.40 0.00 0.00 41.96 40.98 1ueq s TYR 71 CO 0.26 0.01 -0.17 0.42 -1.57 0.00 0.00 175.55 174.50 1ueq s ILE 72 N -0.88 1.79 0.00 2.71 1.01 -0.06 -2.46 121.20 123.31 1ueq s ILE 72 Ca -0.01 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1ueq s ILE 72 Cb -0.08 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1ueq s ILE 72 CO 0.01 0.50 0.00 -3.20 0.00 0.00 0.00 174.94 172.25 1ueq n ASN 73 N 4.69 0.00 -0.76 3.58 5.15 0.14 -1.46 115.26 126.59 1ueq n ASN 73 Ca -0.19 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.75 1ueq n ASN 73 Cb 0.50 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.71 1ueq n ASN 73 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1ueq n GLU 74 N 0.00 0.00 -4.41 1.20 0.28 -1.26 -4.63 120.64 111.81 1ueq n GLU 74 Ca 0.00 -0.55 -0.22 0.00 -0.16 0.00 0.00 57.16 56.23 1ueq n GLU 74 Cb 0.00 0.30 -0.16 0.00 1.43 0.00 0.00 31.44 33.00 1ueq n GLU 74 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1ueq s VAL 75 N 0.00 0.88 0.08 3.84 1.01 -0.54 -5.12 120.40 120.54 1ueq s VAL 75 Ca 0.00 -0.34 -0.31 0.00 0.00 0.00 0.00 61.98 61.34 1ueq s VAL 75 Cb 0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 36.38 35.47 1ueq s VAL 75 CO 0.00 0.30 1.58 0.00 0.00 0.00 0.00 175.10 176.98 1ueq n VAL 77 N 4.54 0.84 0.33 0.00 0.24 -0.37 -4.90 118.33 119.01 1ueq n VAL 77 Ca 0.15 -0.91 0.09 0.00 -2.04 0.00 0.00 64.34 61.62 1ueq n VAL 77 Cb 0.41 0.47 0.38 0.00 -1.47 0.00 0.00 33.84 33.63 1ueq n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ueq n LEU 78 N -0.52 0.36 -0.74 1.34 -0.00 -0.89 -0.55 117.00 116.00 1ueq n LEU 78 Ca 0.03 0.61 0.05 0.00 -0.00 0.00 0.00 56.01 56.70 1ueq n LEU 78 Cb 0.44 -0.59 0.10 0.00 -0.00 0.00 0.00 43.42 43.37 1ueq n LEU 78 CO 0.00 -0.53 0.29 0.61 -0.00 0.00 0.00 177.39 177.77 1ueq n GLY 79 N -0.43 2.92 3.87 1.47 0.00 -1.26 -4.22 105.19 107.54 1ueq n GLY 79 Ca 0.02 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 1ueq n GLY 79 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ueq s HIS 80 N -1.55 3.43 0.29 1.61 2.46 0.29 -3.44 115.29 118.39 1ueq s HIS 80 Ca 0.28 0.93 -0.28 0.00 0.47 0.00 0.00 55.06 56.46 1ueq s HIS 80 Cb 0.28 -2.30 -0.09 0.00 -0.13 0.00 0.00 32.58 30.34 1ueq s HIS 80 CO -0.07 0.26 1.00 -0.08 -2.47 0.00 0.00 174.74 173.38 1ueq s THR 81 N -1.81 3.91 0.62 0.89 -1.32 -1.26 -4.82 115.64 111.85 1ueq s THR 81 Ca 0.47 1.76 0.34 0.00 -1.21 0.00 0.00 61.69 63.05 1ueq s THR 81 Cb -0.11 -4.06 0.38 0.00 -1.51 0.00 0.00 72.50 67.20 1ueq s THR 81 CO 0.21 0.30 2.21 -0.74 -2.21 0.00 0.00 174.62 174.39 1ueq h HIS 82 N 3.57 0.00 0.04 9.09 2.76 -1.89 -0.35 115.15 128.37 1ueq h HIS 82 Ca -0.46 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.70 1ueq h HIS 82 Cb 1.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.16 1ueq h HIS 82 CO 0.60 0.00 -0.02 0.00 -1.30 0.00 0.00 177.93 177.21 1ueq h ALA 83 N 1.87 -0.05 -0.07 5.26 0.00 -1.91 -1.22 119.26 123.12 1ueq h ALA 83 Ca 0.03 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1ueq h ALA 83 Cb 0.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ueq h ALA 83 CO -0.00 -0.47 -0.21 0.22 0.00 0.00 0.00 179.25 178.79 1ueq h ASP 84 N -0.17 0.31 -0.83 0.00 1.82 -1.50 -1.89 116.42 114.16 1ueq h ASP 84 Ca -0.01 -0.60 -0.00 0.00 -0.39 0.00 0.00 57.03 56.03 1ueq h ASP 84 Cb 0.15 -0.09 -0.04 0.00 0.68 0.00 0.00 39.33 40.03 1ueq h ASP 84 CO 0.01 0.86 0.51 0.58 -1.61 0.00 0.00 179.24 179.59 1ueq h VAL 85 N -0.22 1.23 -0.28 2.25 2.07 -1.28 0.16 116.25 120.18 1ueq h VAL 85 Ca -0.00 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 66.96 1ueq h VAL 85 Cb 0.82 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1ueq h VAL 85 CO 0.04 0.23 -0.19 0.58 0.02 0.00 0.00 177.57 178.25 1ueq h VAL 86 N 1.13 1.25 -0.91 2.57 2.07 -1.24 -1.12 116.25 120.01 1ueq h VAL 86 Ca 0.30 -1.16 0.05 0.00 0.82 0.00 0.00 66.70 66.71 1ueq h VAL 86 Cb -0.07 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 1ueq h VAL 86 CO -0.06 0.37 0.58 0.07 0.02 0.00 0.00 177.57 178.55 1ueq h LYS 87 N 0.45 1.07 -0.29 1.57 5.09 -0.23 0.40 116.57 124.62 1ueq h LYS 87 Ca 0.07 -0.06 -0.14 0.00 0.09 0.00 0.00 60.65 60.61 1ueq h LYS 87 Cb 0.59 -0.24 -0.01 0.00 0.10 0.00 0.00 32.23 32.67 1ueq h LYS 87 CO 0.04 0.71 -0.37 -0.07 -2.09 0.00 0.00 179.45 177.67 1ueq h LEU 88 N 1.10 0.71 -0.13 7.07 3.38 0.09 0.01 115.31 127.54 1ueq h LEU 88 Ca 0.37 -0.31 -0.21 0.00 0.09 0.00 0.00 57.88 57.83 1ueq h LEU 88 Cb 0.07 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.63 1ueq h LEU 88 CO -0.14 1.01 -0.72 -0.26 0.09 0.00 0.00 178.44 178.42 1ueq h PHE 89 N 0.56 0.98 -0.87 1.13 0.04 -0.96 -3.19 116.94 114.64 1ueq h PHE 89 Ca 0.05 -0.44 0.07 0.00 2.80 0.00 0.00 57.97 60.45 1ueq h PHE 89 Cb 0.89 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.83 1ueq h PHE 89 CO 0.04 1.26 0.53 1.96 -0.60 0.00 0.00 178.31 181.50 1ueq h GLN 90 N 0.43 0.92 0.00 1.51 1.08 -0.68 -2.79 115.11 115.58 1ueq h GLN 90 Ca -0.05 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1ueq h GLN 90 Cb 1.36 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 1ueq h GLN 90 CO 0.15 0.61 0.00 0.43 -0.95 0.00 0.00 178.83 179.07 1ueq n SER 91 N -4.64 0.00 -4.51 1.46 7.64 -0.03 -4.53 113.62 109.01 1ueq n SER 91 Ca 0.13 -0.03 -0.43 0.00 1.01 0.00 0.00 58.87 59.55 1ueq n SER 91 Cb 0.20 -0.15 -0.08 0.00 -1.01 0.00 0.00 64.21 63.18 1ueq n SER 91 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ueq s VAL 92 N -2.29 4.95 0.95 0.44 1.01 -1.06 -5.08 120.40 119.32 1ueq s VAL 92 Ca 0.10 -0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 1ueq s VAL 92 Cb 0.05 -4.11 0.16 0.00 0.00 0.00 0.00 36.38 32.48 1ueq s VAL 92 CO 0.11 -0.48 1.11 -2.16 0.00 0.00 0.00 175.10 173.68 1ueq s PRO 93 N 2.52 0.78 0.50 2.72 0.04 -1.26 -5.00 135.00 135.30 1ueq s PRO 93 Ca 0.18 0.42 -0.21 0.00 0.04 0.00 0.00 61.00 61.43 1ueq s PRO 93 Cb -0.15 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 1ueq s PRO 93 CO 0.16 -2.47 1.13 0.42 0.04 0.00 0.00 177.00 176.28 1ueq s ILE 94 N -3.11 3.25 0.00 0.56 1.01 -1.26 -3.11 121.20 118.54 1ueq s ILE 94 Ca 0.64 0.84 0.00 0.00 0.00 0.00 0.00 60.65 62.13 1ueq s ILE 94 Cb -0.17 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 38.93 1ueq s ILE 94 CO 0.56 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1ueq n GLY 95 N 0.21 2.80 3.88 6.18 0.00 -0.46 -4.98 105.19 112.82 1ueq n GLY 95 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.08 3.72 0.08 1.61 -1.52 -1.18 -4.78 119.66 117.52 1ueq s GLN 96 Ca 0.00 0.53 0.07 0.00 -1.95 0.00 0.00 55.36 54.02 1ueq s GLN 96 Cb 0.00 -2.29 -0.03 0.00 -0.22 0.00 0.00 33.01 30.47 1ueq s GLN 96 CO 0.00 -0.21 -0.20 -1.54 -0.25 0.00 0.00 175.29 173.09 1ueq s SER 97 N -3.55 2.37 0.02 5.90 1.04 -1.26 -0.34 113.70 117.87 1ueq s SER 97 Ca 0.52 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 56.34 1ueq s SER 97 Cb -0.10 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.87 1ueq s SER 97 CO 0.39 0.06 -0.06 0.68 0.98 0.00 0.00 173.24 175.28 1ueq s VAL 98 N -1.09 0.48 0.48 5.02 -7.23 -1.02 -4.99 120.40 112.04 1ueq s VAL 98 Ca 0.05 -0.62 -0.13 0.00 -1.81 0.00 0.00 61.98 59.47 1ueq s VAL 98 Cb -0.10 -0.47 -0.07 0.00 0.56 0.00 0.00 36.38 36.30 1ueq s VAL 98 CO 0.03 -0.11 0.89 0.20 -0.31 0.00 0.00 175.10 175.80 1ueq s ASN 99 N -0.80 6.54 0.03 4.85 -0.87 -1.26 -3.30 114.94 120.12 1ueq s ASN 99 Ca -0.04 1.35 -0.01 0.00 -1.57 0.00 0.00 52.86 52.60 1ueq s ASN 99 Cb -0.06 -2.42 -0.02 0.00 -0.02 0.00 0.00 41.25 38.73 1ueq s ASN 99 CO 0.00 -0.53 -0.02 -0.76 -2.57 0.00 0.00 177.10 173.22 1ueq s LEU 100 N -4.09 2.25 -0.19 0.60 1.43 -0.58 -0.69 118.68 117.42 1ueq s LEU 100 Ca 0.55 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1ueq s LEU 100 Cb -0.10 0.15 0.05 0.00 0.03 0.00 0.00 46.19 46.33 1ueq s LEU 100 CO 0.34 -0.37 -0.02 -0.69 0.23 0.00 0.00 176.35 175.84 1ueq s VAL 101 N -1.98 1.02 0.39 -1.59 1.01 -1.03 -2.39 120.40 115.83 1ueq s VAL 101 Ca -0.11 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.17 1ueq s VAL 101 Cb -0.06 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 1ueq s VAL 101 CO -0.03 -0.06 0.47 -0.76 0.00 0.00 0.00 175.10 174.72 1ueq s LEU 102 N 1.64 3.67 0.01 3.92 1.43 -1.09 -1.31 118.68 126.97 1ueq s LEU 102 Ca -0.02 -0.44 0.07 0.00 -1.03 0.00 0.00 54.13 52.71 1ueq s LEU 102 Cb -0.17 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.53 1ueq s LEU 102 CO -0.07 -0.60 -0.22 0.00 0.23 0.00 0.00 176.35 175.69 1ueq s ARG 104 N -0.86 2.36 0.00 0.00 3.52 0.59 -0.73 118.95 123.83 1ueq s ARG 104 Ca 0.08 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 54.89 1ueq s ARG 104 Cb -0.09 -2.24 0.00 0.00 -1.56 0.00 0.00 34.95 31.07 1ueq s ARG 104 CO 0.01 0.58 0.00 0.41 -0.81 0.00 0.00 175.30 175.49 1ueq n GLY 105 N 2.41 1.53 3.77 8.12 0.00 -1.26 -1.47 105.19 118.28 1ueq n GLY 105 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.44 3.18 1.10 1.61 1.51 -1.26 -4.99 117.35 117.05 1ueq s TYR 106 Ca 0.00 1.55 -0.16 0.00 -1.01 0.00 0.00 57.07 57.46 1ueq s TYR 106 Cb 0.00 -3.44 0.24 0.00 -0.11 0.00 0.00 41.96 38.65 1ueq s TYR 106 CO 0.00 -1.27 1.11 -1.25 -1.11 0.00 0.00 175.55 173.03 1ueq s PRO 107 N -1.99 -0.38 0.93 -1.71 0.04 -1.26 -4.76 135.00 125.87 1ueq s PRO 107 Ca 0.52 0.18 -0.11 0.00 0.04 0.00 0.00 61.00 61.63 1ueq s PRO 107 Cb -0.33 -1.67 0.15 0.00 0.04 0.00 0.00 34.50 32.69 1ueq s PRO 107 CO 0.42 -3.20 1.10 -0.51 0.04 0.00 0.00 177.00 174.86 1ueq s LEU 108 N -6.67 2.40 -0.14 -3.56 1.02 -1.26 -4.93 118.68 105.55 1ueq s LEU 108 Ca 0.68 1.85 -0.38 0.00 0.02 0.00 0.00 54.13 56.31 1ueq s LEU 108 Cb -0.14 -4.22 -0.15 0.00 0.02 0.00 0.00 46.19 41.71 1ueq s LEU 108 CO 0.56 -3.00 1.69 -2.65 0.02 0.00 0.00 176.35 172.97 1ueq n PRO 109 N -4.15 1.45 -1.91 1.29 -0.02 -1.26 -4.91 135.00 125.48 1ueq n PRO 109 Ca 0.09 0.53 -0.38 0.00 -2.02 0.00 0.00 63.50 61.71 1ueq n PRO 109 Cb 0.53 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 1ueq n PRO 109 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1ueq s PHE 110 N 2.88 1.53 -0.45 6.00 5.36 -1.26 -4.98 117.98 127.06 1ueq s PHE 110 Ca 0.93 0.96 -0.29 0.00 -0.96 0.00 0.00 56.93 57.57 1ueq s PHE 110 Cb -0.94 -3.97 0.03 0.00 -0.34 0.00 0.00 43.02 37.80 1ueq s PHE 110 CO 0.57 -2.45 1.16 -0.51 -1.46 0.00 0.00 175.22 172.53 1ueq s ASP 111 N 8.90 6.65 0.31 6.13 1.01 -1.26 -4.92 116.67 133.48 1ueq s ASP 111 Ca 0.76 0.59 0.20 0.00 0.71 0.00 0.00 52.55 54.81 1ueq s ASP 111 Cb -0.15 -2.55 0.14 0.00 1.01 0.00 0.00 42.92 41.37 1ueq s ASP 111 CO 0.23 -1.22 1.37 1.55 0.21 0.00 0.00 175.17 177.32 1ueq h PRO 112 N 9.20 0.00 0.19 8.23 0.13 -2.02 -3.38 132.00 144.35 1ueq h PRO 112 Ca -0.23 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 1ueq h PRO 112 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1ueq h PRO 112 CO 1.11 0.19 -0.09 0.93 -0.23 0.00 0.00 178.00 179.91 1ueq h GLU 113 N 0.00 -0.24 -0.92 0.86 5.08 -2.04 -3.47 114.58 113.86 1ueq h GLU 113 Ca -0.02 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1ueq h GLU 113 Cb 1.19 0.05 -0.21 0.00 0.50 0.00 0.00 28.75 30.28 1ueq h GLU 113 CO 0.03 -0.16 -0.30 0.34 -1.00 0.00 0.00 179.01 177.91 1ueq s ASP 114 N -3.47 -1.43 -0.02 1.42 -1.08 -1.26 -5.06 116.67 105.77 1ueq s ASP 114 Ca -0.04 0.39 -0.24 0.00 -0.52 0.00 0.00 52.55 52.15 1ueq s ASP 114 Cb 0.00 2.00 -0.17 0.00 -1.46 0.00 0.00 42.92 43.30 1ueq s ASP 114 CO 0.11 -0.26 1.11 1.55 0.52 0.00 0.00 175.17 178.20 1ueq h PRO 115 N 7.95 -0.28 -0.05 4.34 0.13 -1.91 -3.45 132.00 138.72 1ueq h PRO 115 Ca -0.09 0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 1ueq h PRO 115 Cb 1.18 0.06 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 1ueq h PRO 115 CO 0.16 0.09 -0.06 0.00 -0.23 0.00 0.00 178.00 177.96 1ueq n ALA 116 N -2.49 -3.79 -1.26 -0.56 0.00 -1.26 -5.09 120.51 106.06 1ueq n ALA 116 Ca -0.09 -0.07 -0.36 0.00 0.00 0.00 0.00 53.44 52.92 1ueq n ALA 116 Cb 0.26 -3.37 0.07 0.00 0.00 0.00 0.00 19.45 16.41 1ueq n ALA 116 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1ueq n ASN 117 N 1.99 -0.85 -4.81 0.00 0.23 -1.26 -4.99 115.26 105.56 1ueq n ASN 117 Ca 0.06 0.60 -0.33 0.00 -0.53 0.00 0.00 54.58 54.37 1ueq n ASN 117 Cb 0.69 -1.26 -0.05 0.00 -2.08 0.00 0.00 39.78 37.08 1ueq n ASN 117 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1ueq s SER 118 N -1.53 6.66 0.20 0.53 0.15 -1.26 -5.09 113.70 113.37 1ueq s SER 118 Ca 0.67 1.78 0.00 0.00 0.70 0.00 0.00 55.95 59.10 1ueq s SER 118 Cb -0.34 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.42 1ueq s SER 118 CO 0.57 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1ueq n GLY 119 N -0.54 0.01 3.58 9.45 0.00 -1.26 -4.93 105.19 111.50 1ueq n GLY 119 Ca 0.08 -1.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.05 1ueq n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ueq s PRO 120 N -0.14 2.42 0.00 1.61 0.04 -1.26 -4.91 135.00 132.77 1ueq s PRO 120 Ca 0.00 -1.05 0.00 0.00 0.04 0.00 0.00 61.00 59.99 1ueq s PRO 120 Cb 0.00 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.33 1ueq s PRO 120 CO 0.00 -4.02 0.00 0.45 0.04 0.00 0.00 177.00 173.47 1ueq n SER 121 N 14.66 0.00 -4.56 6.66 2.88 -1.26 -5.01 113.62 126.99 1ueq n SER 121 Ca 0.44 0.00 -0.48 0.00 -1.33 0.00 0.00 58.87 57.50 1ueq n SER 121 Cb 0.47 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.89 1ueq n SER 121 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ueq n SER 122 N 0.00 1.06 0.00 -3.46 7.64 -1.26 -5.27 113.62 112.32 1ueq n SER 122 Ca 0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1ueq n SER 122 Cb 0.00 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 1ueq n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64