#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ueq n SER 2 N 0.00 0.00 -4.43 1.61 7.64 -1.26 -4.81 113.62 112.38 1ueq n SER 2 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 1ueq n SER 2 Cb 0.00 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.31 1ueq n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ueq n SER 3 N 0.16 -1.85 0.00 6.43 3.41 -1.26 -4.77 113.62 115.74 1ueq n SER 3 Ca 0.00 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1ueq n SER 3 Cb 0.00 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 62.74 1ueq n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ueq n GLY 4 N 1.55 0.02 3.47 5.00 0.00 -1.26 -5.08 105.19 108.89 1ueq n GLY 4 Ca 0.08 0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1ueq n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ueq n SER 5 N 0.00 -5.70 -3.83 1.61 7.64 -1.26 -5.04 113.62 107.04 1ueq n SER 5 Ca 0.00 -0.20 -0.21 0.00 1.01 0.00 0.00 58.87 59.47 1ueq n SER 5 Cb 0.00 -2.10 -0.08 0.00 -1.01 0.00 0.00 64.21 61.02 1ueq n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ueq s SER 6 N -1.82 2.04 0.10 6.43 1.04 -1.26 -5.15 113.70 115.08 1ueq s SER 6 Ca 0.31 -1.67 0.00 0.00 0.48 0.00 0.00 55.95 55.07 1ueq s SER 6 Cb -0.04 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1ueq s SER 6 CO 0.87 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1ueq n GLY 7 N -0.72 -1.71 1.52 7.32 0.00 -1.26 -5.05 105.19 105.29 1ueq n GLY 7 Ca 0.01 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1ueq n GLY 7 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ueq n LEU 8 N -2.27 0.00 -4.76 0.99 7.94 -1.26 -5.11 117.00 112.53 1ueq n LEU 8 Ca -0.00 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.55 1ueq n LEU 8 Cb 0.16 0.07 0.04 0.00 0.53 0.00 0.00 43.42 44.21 1ueq n LEU 8 CO 0.00 -0.38 0.79 0.12 -1.11 0.00 0.00 177.39 176.81 1ueq s PHE 9 N -0.76 2.47 0.00 1.96 2.19 -1.26 -5.03 117.98 117.55 1ueq s PHE 9 Ca 0.00 1.55 0.00 0.00 0.33 0.00 0.00 56.93 58.81 1ueq s PHE 9 Cb 0.00 -3.34 0.00 0.00 -1.31 0.00 0.00 43.02 38.37 1ueq s PHE 9 CO 0.00 -1.96 0.00 2.41 1.83 0.00 0.00 175.22 177.50 1ueq n THR 10 N -1.94 0.00 0.00 0.12 -1.04 -1.26 -4.99 114.28 105.17 1ueq n THR 10 Ca 0.12 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1ueq n THR 10 Cb 0.51 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 68.72 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 -0.44 -2.82 1.74 -1.26 -4.78 116.66 109.11 1ueq n ARG 11 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ueq n ARG 11 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 0.08 0.00 0.00 0.55 2.03 -1.26 -5.01 116.55 112.93 1ueq n ASP 12 Ca 0.00 -1.61 0.00 0.00 0.52 0.00 0.00 54.79 53.70 1ueq n ASP 12 Cb 0.00 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 1ueq n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ueq n ALA 13 N 0.00 0.00 0.97 -1.67 0.00 -1.26 -4.75 120.51 113.81 1ueq n ALA 13 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1ueq n ALA 13 Cb 0.62 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.60 1ueq n ALA 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ueq n SER 14 N 0.03 0.00 0.17 0.00 2.88 -1.26 -0.67 113.62 114.77 1ueq n SER 14 Ca 0.00 0.05 0.07 0.00 -1.33 0.00 0.00 58.87 57.66 1ueq n SER 14 Cb 0.00 -0.31 0.09 0.00 -0.75 0.00 0.00 64.21 63.24 1ueq n SER 14 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1ueq h GLN 15 N 0.00 0.00 -7.01 -1.46 1.08 -1.86 -3.45 115.11 102.41 1ueq h GLN 15 Ca 0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 1ueq h GLN 15 Cb 0.22 0.00 0.09 0.00 -0.05 0.00 0.00 27.48 27.74 1ueq h GLN 15 CO 0.00 0.26 0.53 -0.51 -0.95 0.00 0.00 178.83 178.16 1ueq s LEU 16 N -6.31 3.97 -0.08 1.46 1.43 0.15 -5.02 118.68 114.28 1ueq s LEU 16 Ca 0.05 2.48 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 1ueq s LEU 16 Cb 0.06 -4.23 0.02 0.00 0.03 0.00 0.00 46.19 42.08 1ueq s LEU 16 CO 0.71 -1.13 -0.07 -0.54 0.23 0.00 0.00 176.35 175.55 1ueq s LYS 17 N -2.74 1.24 0.00 1.70 -0.14 -1.26 -5.04 119.74 113.51 1ueq s LYS 17 Ca 0.66 -0.19 0.00 0.00 -1.36 0.00 0.00 55.97 55.08 1ueq s LYS 17 Cb -0.33 -1.26 0.00 0.00 -1.68 0.00 0.00 37.83 34.56 1ueq s LYS 17 CO 0.40 -0.16 0.00 0.41 -0.76 0.00 0.00 175.35 175.24 1ueq n GLY 18 N 4.51 1.33 3.91 -3.33 0.00 -1.26 -4.59 105.19 105.76 1ueq n GLY 18 Ca -0.17 -2.12 -0.28 0.00 0.00 0.00 0.00 46.02 43.45 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 -1.20 5.06 -0.15 2.61 2.01 -1.24 -4.83 115.64 117.90 1ueq s THR 19 Ca 0.00 -0.07 -0.05 0.00 0.31 0.00 0.00 61.69 61.88 1ueq s THR 19 Cb 0.00 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1ueq s THR 19 CO 0.00 -0.34 0.01 -0.36 -0.69 0.00 0.00 174.62 173.24 1ueq s PHE 20 N -2.09 3.15 0.35 4.92 0.40 -1.26 -0.82 117.98 122.62 1ueq s PHE 20 Ca 0.43 -0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.80 1ueq s PHE 20 Cb -0.11 -1.97 -0.05 0.00 0.51 0.00 0.00 43.02 41.41 1ueq s PHE 20 CO 0.31 0.16 0.12 -0.51 0.70 0.00 0.00 175.22 176.00 1ueq s LEU 21 N 0.07 3.18 0.02 -0.37 2.01 -0.31 -4.99 118.68 118.29 1ueq s LEU 21 Ca 0.03 -0.86 0.01 0.00 0.01 0.00 0.00 54.13 53.31 1ueq s LEU 21 Cb -0.13 -1.62 -0.02 0.00 0.01 0.00 0.00 46.19 44.43 1ueq s LEU 21 CO 0.02 -0.32 -0.04 -0.94 1.01 0.00 0.00 176.35 176.08 1ueq s SER 22 N -3.83 0.39 0.09 2.29 1.04 -1.26 -2.57 113.70 109.85 1ueq s SER 22 Ca 0.38 -0.50 -0.19 0.00 0.48 0.00 0.00 55.95 56.11 1ueq s SER 22 Cb -0.01 0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.23 1ueq s SER 22 CO 0.22 -0.27 0.46 0.28 0.98 0.00 0.00 173.24 174.91 1ueq s THR 23 N -1.41 0.05 -0.25 2.02 -1.32 -1.13 -5.00 115.64 108.59 1ueq s THR 23 Ca -0.14 -0.38 -0.01 0.00 -1.21 0.00 0.00 61.69 59.95 1ueq s THR 23 Cb -0.10 -1.04 0.08 0.00 -1.51 0.00 0.00 72.50 69.93 1ueq s THR 23 CO -0.01 -0.21 0.03 -0.89 -2.21 0.00 0.00 174.62 171.33 1ueq s THR 24 N -3.07 1.03 -0.14 5.08 2.01 -1.26 -1.33 115.64 117.96 1ueq s THR 24 Ca -0.02 -1.14 -0.10 0.00 0.31 0.00 0.00 61.69 60.74 1ueq s THR 24 Cb 0.00 -1.56 -0.05 0.00 0.01 0.00 0.00 72.50 70.90 1ueq s THR 24 CO -0.07 -0.36 0.20 -0.76 -0.69 0.00 0.00 174.62 172.94 1ueq s LEU 25 N 1.59 4.31 0.30 4.42 1.43 -0.99 -4.91 118.68 124.84 1ueq s LEU 25 Ca 0.02 0.46 -0.22 0.00 -1.03 0.00 0.00 54.13 53.36 1ueq s LEU 25 Cb -0.18 -2.20 -0.09 0.00 0.03 0.00 0.00 46.19 43.75 1ueq s LEU 25 CO -0.13 0.26 0.85 -0.75 0.23 0.00 0.00 176.35 176.80 1ueq s LYS 26 N -0.29 4.37 -0.77 1.70 2.20 -1.26 -2.36 119.74 123.32 1ueq s LYS 26 Ca 0.14 1.08 -0.26 0.00 -0.36 0.00 0.00 55.97 56.57 1ueq s LYS 26 Cb -0.12 -2.72 -0.02 0.00 -1.51 0.00 0.00 37.83 33.46 1ueq s LYS 26 CO 0.03 0.27 1.81 0.21 -0.36 0.00 0.00 175.35 177.31 1ueq s LYS 27 N -2.25 2.73 0.00 4.03 2.47 0.26 -4.70 119.74 122.29 1ueq s LYS 27 Ca 0.49 0.05 0.00 0.00 -1.56 0.00 0.00 55.97 54.95 1ueq s LYS 27 Cb -0.16 -4.71 0.00 0.00 -1.46 0.00 0.00 37.83 31.50 1ueq s LYS 27 CO 0.21 -2.88 0.00 0.43 0.16 0.00 0.00 175.35 173.26 1ueq n SER 28 N 12.60 0.00 0.28 1.43 7.64 -0.33 -2.15 113.62 133.09 1ueq n SER 28 Ca 0.27 -0.64 0.17 0.00 1.01 0.00 0.00 58.87 59.67 1ueq n SER 28 Cb 0.50 0.00 0.93 0.00 -1.01 0.00 0.00 64.21 64.62 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 0.00 -1.47 6.43 -0.26 -2.02 -0.79 115.58 117.47 1ueq h ASN 29 Ca 0.00 0.00 -0.46 0.00 -0.56 0.00 0.00 56.30 55.28 1ueq h ASN 29 Cb 0.00 0.00 -0.41 0.00 -1.06 0.00 0.00 38.32 36.85 1ueq h ASN 29 CO 0.00 0.00 -1.03 0.23 -1.06 0.00 0.00 177.43 175.57 1ueq n MET 30 N -3.72 1.88 0.00 0.81 2.81 -1.26 -5.10 117.12 112.54 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 0.16 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 30.98 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 -0.11 3.41 3.55 3.03 0.00 -0.30 -4.62 105.19 110.15 1ueq n GLY 31 Ca 0.22 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 2.97 -0.28 1.61 0.08 -1.26 -1.18 117.98 119.92 1ueq s PHE 32 Ca 0.00 -0.09 -0.06 0.00 0.12 0.00 0.00 56.93 56.89 1ueq s PHE 32 Cb 0.00 -1.79 -0.21 0.00 -0.57 0.00 0.00 43.02 40.45 1ueq s PHE 32 CO 0.00 0.21 3.44 0.41 -0.10 0.00 0.00 175.22 179.17 1ueq n GLY 33 N 2.66 3.34 3.49 4.36 0.00 -1.26 -4.76 105.19 113.01 1ueq n GLY 33 Ca -0.18 -1.33 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 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 0.82 0.76 0.11 1.61 -0.71 -1.26 -1.25 117.98 118.06 1ueq s PHE 34 Ca 0.66 -1.05 0.03 0.00 -1.04 0.00 0.00 56.93 55.53 1ueq s PHE 34 Cb 0.31 -0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 42.04 1ueq s PHE 34 CO -0.03 -0.99 -0.08 0.95 -1.34 0.00 0.00 175.22 173.73 1ueq s THR 35 N -3.66 0.83 0.23 -4.49 -4.23 -0.05 -4.88 115.64 99.39 1ueq s THR 35 Ca 0.28 -1.94 0.10 0.00 -1.18 0.00 0.00 61.69 58.95 1ueq s THR 35 Cb 0.01 -1.69 -0.05 0.00 1.34 0.00 0.00 72.50 72.11 1ueq s THR 35 CO 0.14 -0.82 -0.17 -0.63 -0.54 0.00 0.00 174.62 172.60 1ueq s ILE 36 N -3.45 2.05 0.08 2.99 1.09 -1.26 -0.34 121.20 122.35 1ueq s ILE 36 Ca 0.12 -2.26 0.03 0.00 -1.10 0.00 0.00 60.65 57.44 1ueq s ILE 36 Cb 0.04 -2.13 -0.03 0.00 -1.06 0.00 0.00 42.46 39.27 1ueq s ILE 36 CO -0.03 -0.49 -0.08 -0.51 -0.10 0.00 0.00 174.94 173.73 1ueq s ILE 37 N -2.69 0.74 0.05 2.92 2.07 -0.39 -4.55 121.20 119.35 1ueq s ILE 37 Ca 0.25 -1.59 0.02 0.00 -1.41 0.00 0.00 60.65 57.92 1ueq s ILE 37 Cb -0.03 -1.26 -0.03 0.00 0.13 0.00 0.00 42.46 41.27 1ueq s ILE 37 CO 0.10 -0.62 -0.07 -0.83 -1.91 0.00 0.00 174.94 171.61 1ueq s GLY 38 N -2.41 0.56 0.00 1.50 0.00 -1.26 -1.48 107.32 104.23 1ueq s GLY 38 Ca 0.03 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.86 1ueq s GLY 38 CO -0.02 -0.96 0.72 0.61 0.00 0.00 0.00 173.10 173.45 1ueq n GLY 39 N 1.12 -3.20 0.62 0.20 0.00 -1.13 -4.93 105.19 97.87 1ueq n GLY 39 Ca -0.20 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.63 0.00 -4.99 1.61 -0.08 -1.26 -5.10 116.55 105.10 1ueq n ASP 40 Ca 0.00 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.09 1ueq n ASP 40 Cb 0.00 0.15 0.01 0.00 2.34 0.00 0.00 41.12 43.63 1ueq n ASP 40 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1ueq s GLU 41 N -1.61 2.89 -0.64 -0.67 2.02 -1.26 -4.86 118.70 114.57 1ueq s GLU 41 Ca 0.00 -0.94 -0.06 0.00 0.02 0.00 0.00 54.97 53.99 1ueq s GLU 41 Cb 0.00 -2.68 -0.12 0.00 0.10 0.00 0.00 34.13 31.42 1ueq s GLU 41 CO 0.00 -0.28 2.58 -0.35 0.02 0.00 0.00 175.26 177.23 1ueq n PRO 42 N -1.94 2.12 0.00 0.39 -0.04 -1.26 -2.72 135.00 131.55 1ueq n PRO 42 Ca 0.05 -1.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 1ueq n PRO 42 Cb 0.59 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 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 3.37 0.00 -4.93 3.54 2.03 -1.21 -4.66 116.55 114.69 1ueq n ASP 43 Ca 0.45 -0.10 -0.25 0.00 0.52 0.00 0.00 54.79 55.41 1ueq n ASP 43 Cb 0.39 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.80 1ueq n ASP 43 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ueq s GLU 44 N 0.00 3.21 0.23 -0.67 0.41 -1.10 -4.70 118.70 116.07 1ueq s GLU 44 Ca 0.00 -0.17 -0.30 0.00 -0.41 0.00 0.00 54.97 54.09 1ueq s GLU 44 Cb 0.00 -2.45 -0.10 0.00 -1.78 0.00 0.00 34.13 29.80 1ueq s GLU 44 CO 0.00 -0.31 1.42 -0.06 -0.49 0.00 0.00 175.26 175.83 1ueq s PHE 45 N -2.68 3.08 -0.13 1.61 0.08 -1.26 -4.58 117.98 114.10 1ueq s PHE 45 Ca 0.48 1.03 -0.05 0.00 0.12 0.00 0.00 56.93 58.51 1ueq s PHE 45 Cb -0.10 -3.78 -0.04 0.00 -0.57 0.00 0.00 43.02 38.53 1ueq s PHE 45 CO 0.41 -2.56 0.05 -0.51 -0.10 0.00 0.00 175.22 172.51 1ueq s LEU 46 N -0.15 3.82 0.11 -0.37 1.43 -1.26 -2.83 118.68 119.42 1ueq s LEU 46 Ca 0.60 0.18 0.05 0.00 -1.03 0.00 0.00 54.13 53.93 1ueq s LEU 46 Cb -0.41 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1ueq s LEU 46 CO 0.41 0.30 -0.13 -1.10 0.23 0.00 0.00 176.35 176.06 1ueq s GLN 47 N -0.40 0.95 -0.02 1.70 -0.21 -0.55 -0.88 119.66 120.25 1ueq s GLN 47 Ca 0.09 -1.16 -0.30 0.00 0.02 0.00 0.00 55.36 54.01 1ueq s GLN 47 Cb -0.12 -0.83 -0.07 0.00 1.00 0.00 0.00 33.01 32.99 1ueq s GLN 47 CO 0.02 0.16 1.86 0.08 -2.12 0.00 0.00 175.29 175.28 1ueq s VAL 48 N -1.99 3.25 -0.04 1.09 1.01 -0.45 -1.26 120.40 122.02 1ueq s VAL 48 Ca 0.06 0.30 -0.26 0.00 0.00 0.00 0.00 61.98 62.07 1ueq s VAL 48 Cb -0.06 -3.20 -0.21 0.00 0.00 0.00 0.00 36.38 32.92 1ueq s VAL 48 CO 0.02 -0.04 1.18 0.50 0.00 0.00 0.00 175.10 176.77 1ueq h LYS 49 N 10.45 -0.02 -2.95 2.72 3.64 -0.93 -3.22 116.57 126.27 1ueq h LYS 49 Ca -0.45 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.84 1ueq h LYS 49 Cb 1.21 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.86 1ueq h LYS 49 CO 0.95 0.53 -0.15 -1.12 -2.27 0.00 0.00 179.45 177.39 1ueq s SER 50 N -5.74 -0.27 0.01 4.20 0.01 -1.21 -4.80 113.70 105.89 1ueq s SER 50 Ca -0.16 0.09 -0.20 0.00 1.31 0.00 0.00 55.95 56.99 1ueq s SER 50 Cb 0.01 0.39 -0.06 0.00 0.21 0.00 0.00 66.02 66.57 1ueq s SER 50 CO 0.66 -0.58 0.57 -0.69 0.41 0.00 0.00 173.24 173.61 1ueq s VAL 51 N -1.95 4.89 0.38 3.43 1.01 -1.26 -0.87 120.40 126.02 1ueq s VAL 51 Ca -0.09 1.19 -0.26 0.00 0.00 0.00 0.00 61.98 62.82 1ueq s VAL 51 Cb -0.02 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.37 1ueq s VAL 51 CO 0.01 0.46 1.19 -0.63 0.00 0.00 0.00 175.10 176.13 1ueq s ILE 52 N -0.43 3.08 0.29 2.22 -1.09 -0.38 -4.95 121.20 119.92 1ueq s ILE 52 Ca 0.30 0.95 -0.28 0.00 -2.23 0.00 0.00 60.65 59.39 1ueq s ILE 52 Cb -0.18 -3.56 -0.09 0.00 -1.58 0.00 0.00 42.46 37.05 1ueq s ILE 52 CO 0.17 0.13 0.98 -2.16 -1.23 0.00 0.00 174.94 172.83 1ueq s PRO 53 N -2.12 4.68 -0.85 2.79 0.04 -1.26 -4.18 135.00 134.10 1ueq s PRO 53 Ca 0.54 1.50 -0.04 0.00 0.04 0.00 0.00 61.00 63.04 1ueq s PRO 53 Cb -0.33 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1ueq s PRO 53 CO 0.42 0.34 0.65 -3.47 0.04 0.00 0.00 177.00 174.98 1ueq n ASP 54 N 1.03 -5.69 -3.55 6.66 -0.08 -1.26 -5.04 116.55 108.61 1ueq n ASP 54 Ca -0.00 -0.74 -0.13 0.00 -1.51 0.00 0.00 54.79 52.41 1ueq n ASP 54 Cb 0.48 -2.86 -0.05 0.00 2.34 0.00 0.00 41.12 41.02 1ueq n ASP 54 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1ueq s GLY 55 N -3.07 1.31 0.35 0.27 0.00 -1.26 -5.05 107.32 99.87 1ueq s GLY 55 Ca 0.07 -1.42 0.07 0.00 0.00 0.00 0.00 44.72 43.43 1ueq s GLY 55 CO 0.86 -0.99 1.87 -0.56 0.00 0.00 0.00 173.10 174.27 1ueq h PRO 56 N 2.21 0.37 -0.10 2.90 0.13 -1.92 -1.59 132.00 134.01 1ueq h PRO 56 Ca -0.29 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 1ueq h PRO 56 Cb 1.24 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ueq h PRO 56 CO 0.40 0.48 0.02 0.00 -0.23 0.00 0.00 178.00 178.68 1ueq h ALA 57 N 1.55 0.13 -0.85 -0.56 0.00 -1.92 -2.48 119.26 115.12 1ueq h ALA 57 Ca 0.07 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ueq h ALA 57 Cb 0.41 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1ueq h ALA 57 CO 0.02 -0.25 0.56 0.00 0.00 0.00 0.00 179.25 179.58 1ueq h ALA 58 N 0.82 1.43 -0.24 0.00 0.00 -1.58 -1.20 119.26 118.49 1ueq h ALA 58 Ca 0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1ueq h ALA 58 Cb 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ueq h ALA 58 CO 0.00 0.51 -0.28 1.96 0.00 0.00 0.00 179.25 181.43 1ueq h GLN 59 N 1.10 0.47 -0.18 0.00 4.20 -1.20 -1.72 115.11 117.77 1ueq h GLN 59 Ca 0.32 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 58.74 1ueq h GLN 59 Cb -0.06 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1ueq h GLN 59 CO -0.08 0.71 -0.34 0.22 -0.67 0.00 0.00 178.83 178.66 1ueq h ASP 60 N 0.41 0.40 0.00 1.46 3.58 -0.97 -3.47 116.42 117.83 1ueq h ASP 60 Ca 0.06 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1ueq h ASP 60 Cb 0.71 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1ueq h ASP 60 CO 0.05 0.72 0.00 0.61 -2.88 0.00 0.00 179.24 177.74 1ueq n GLY 61 N -0.24 1.13 0.16 -0.78 0.00 -0.50 -4.83 105.19 100.13 1ueq n GLY 61 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 1.22 0.47 -6.37 1.61 1.79 -1.86 -3.41 116.57 110.02 1ueq h LYS 62 Ca 0.00 -0.14 -0.54 0.00 -2.18 0.00 0.00 60.65 57.80 1ueq h LYS 62 Cb 0.00 -0.05 0.01 0.00 -1.58 0.00 0.00 32.23 30.61 1ueq h LYS 62 CO 0.00 0.60 1.04 1.41 -1.08 0.00 0.00 179.45 181.42 1ueq s MET 63 N -5.11 4.19 0.12 3.15 1.75 -1.26 -5.01 119.30 117.13 1ueq s MET 63 Ca -0.13 2.28 0.03 0.00 -1.25 0.00 0.00 55.69 56.61 1ueq s MET 63 Cb 0.08 -3.79 -0.04 0.00 2.84 0.00 0.00 34.83 33.92 1ueq s MET 63 CO 0.75 -0.78 -0.08 -1.21 -0.65 0.00 0.00 175.02 173.04 1ueq s GLU 64 N 3.30 0.93 0.44 4.11 2.02 -1.26 -4.73 118.70 123.50 1ueq s GLU 64 Ca 0.74 -1.38 -0.21 0.00 0.02 0.00 0.00 54.97 54.14 1ueq s GLU 64 Cb -0.37 -0.38 -0.10 0.00 0.10 0.00 0.00 34.13 33.38 1ueq s GLU 64 CO 0.32 0.02 0.98 0.99 0.02 0.00 0.00 175.26 177.59 1ueq s THR 65 N -3.49 4.15 0.00 3.63 2.01 -1.26 -3.53 115.64 117.15 1ueq s THR 65 Ca 0.14 1.37 0.00 0.00 0.31 0.00 0.00 61.69 63.51 1ueq s THR 65 Cb 0.04 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.98 1ueq s THR 65 CO -0.03 -0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.26 1ueq n GLY 66 N -0.40 1.07 3.81 4.40 0.00 -1.22 -5.00 105.19 107.85 1ueq n GLY 66 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.80 5.46 -0.15 1.61 1.01 -1.23 -4.54 116.67 116.04 1ueq s ASP 67 Ca 0.00 1.70 -0.03 0.00 0.71 0.00 0.00 52.55 54.93 1ueq s ASP 67 Cb 0.00 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 1ueq s ASP 67 CO 0.00 -1.39 -0.05 -0.69 0.21 0.00 0.00 175.17 173.26 1ueq s VAL 68 N -2.83 3.79 -0.06 -1.27 1.01 -0.62 -1.34 120.40 119.08 1ueq s VAL 68 Ca 0.60 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1ueq s VAL 68 Cb -0.15 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 1ueq s VAL 68 CO 0.49 0.50 1.04 -0.63 0.00 0.00 0.00 175.10 176.50 1ueq s ILE 69 N 0.35 4.68 -0.08 2.22 1.09 -0.06 -1.29 121.20 128.10 1ueq s ILE 69 Ca -0.05 1.94 -0.07 0.00 -1.10 0.00 0.00 60.65 61.37 1ueq s ILE 69 Cb -0.14 -4.25 -0.04 0.00 -1.06 0.00 0.00 42.46 36.97 1ueq s ILE 69 CO 0.03 0.05 -0.16 0.52 -0.10 0.00 0.00 174.94 175.27 1ueq n VAL 70 N 4.37 1.01 -4.20 2.92 0.31 -0.68 -4.35 118.33 117.71 1ueq n VAL 70 Ca 0.08 0.04 -0.16 0.00 -0.01 0.00 0.00 64.34 64.29 1ueq n VAL 70 Cb 0.49 -1.80 -0.14 0.00 -0.91 0.00 0.00 33.84 31.48 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 -2.32 0.61 -0.25 3.52 1.51 -1.15 -0.91 117.35 118.35 1ueq s TYR 71 Ca -0.16 -0.19 0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1ueq s TYR 71 Cb 0.05 -0.39 0.05 0.00 -0.11 0.00 0.00 41.96 41.55 1ueq s TYR 71 CO 0.21 -0.02 -0.09 0.42 -1.11 0.00 0.00 175.55 174.96 1ueq s ILE 72 N -0.40 2.44 0.00 2.71 1.01 -0.02 -1.34 121.20 125.60 1ueq s ILE 72 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 60.65 59.27 1ueq s ILE 72 Cb -0.04 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 40.09 1ueq s ILE 72 CO -0.00 0.08 0.00 -3.20 0.00 0.00 0.00 174.94 171.82 1ueq n ASN 73 N 4.54 0.00 -0.78 3.58 5.15 0.94 -0.92 115.26 127.77 1ueq n ASN 73 Ca -0.15 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.80 1ueq n ASN 73 Cb 0.44 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.67 1ueq n ASN 73 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1ueq n GLU 74 N 0.00 0.00 -5.17 1.20 2.13 -1.26 -4.63 120.64 112.91 1ueq n GLU 74 Ca 0.00 -0.65 -0.32 0.00 0.66 0.00 0.00 57.16 56.85 1ueq n GLU 74 Cb 0.00 0.15 -0.16 0.00 0.27 0.00 0.00 31.44 31.70 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 2.22 -0.18 6.31 1.01 -0.09 -5.10 120.40 124.56 1ueq s VAL 75 Ca 0.03 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 1ueq s VAL 75 Cb 0.03 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1ueq s VAL 75 CO -0.01 0.56 1.58 0.00 0.00 0.00 0.00 175.10 177.23 1ueq n VAL 77 N 6.13 0.54 0.21 0.00 0.24 -0.09 -4.76 118.33 120.60 1ueq n VAL 77 Ca 0.18 -0.77 0.18 0.00 -2.04 0.00 0.00 64.34 61.89 1ueq n VAL 77 Cb 0.45 0.82 0.83 0.00 -1.47 0.00 0.00 33.84 34.47 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 1.79 0.00 -2.71 1.34 8.10 -1.32 0.11 115.31 122.62 1ueq h LEU 78 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 1ueq h LEU 78 Cb 0.56 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.73 1ueq h LEU 78 CO 0.00 0.00 -0.36 0.61 -4.11 0.00 0.00 178.44 174.58 1ueq n GLY 79 N -1.36 3.19 3.82 0.17 0.00 -1.26 -4.51 105.19 105.24 1ueq n GLY 79 Ca 0.02 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.76 3.16 0.44 1.61 3.76 0.38 -3.35 115.29 119.54 1ueq s HIS 80 Ca 0.24 1.43 -0.21 0.00 -0.15 0.00 0.00 55.06 56.37 1ueq s HIS 80 Cb 0.23 -2.88 -0.10 0.00 1.11 0.00 0.00 32.58 30.94 1ueq s HIS 80 CO -0.02 -1.09 1.00 -0.08 -0.85 0.00 0.00 174.74 173.70 1ueq s THR 81 N -2.90 4.02 0.26 1.30 -1.32 -1.26 -4.32 115.64 111.41 1ueq s THR 81 Ca 0.59 1.32 -0.02 0.00 -1.21 0.00 0.00 61.69 62.37 1ueq s THR 81 Cb -0.14 -3.57 0.24 0.00 -1.51 0.00 0.00 72.50 67.52 1ueq s THR 81 CO 0.49 -0.21 1.83 -0.74 -2.21 0.00 0.00 174.62 173.78 1ueq h HIS 82 N 1.92 0.99 -0.58 9.09 2.76 -1.89 -1.36 115.15 126.07 1ueq h HIS 82 Ca -0.49 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 57.83 1ueq h HIS 82 Cb 1.20 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.82 1ueq h HIS 82 CO 0.59 0.41 0.40 0.00 -1.30 0.00 0.00 177.93 178.03 1ueq h ALA 83 N 1.48 2.21 0.06 5.26 0.00 -1.95 0.21 119.26 126.52 1ueq h ALA 83 Ca 0.43 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 1ueq h ALA 83 Cb 0.38 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ueq h ALA 83 CO -0.24 -0.36 -0.37 0.22 0.00 0.00 0.00 179.25 178.50 1ueq h ASP 84 N 0.24 0.19 -0.74 0.00 3.58 -1.66 -2.06 116.42 115.98 1ueq h ASP 84 Ca 0.27 -0.97 0.02 0.00 0.42 0.00 0.00 57.03 56.78 1ueq h ASP 84 Cb 0.75 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.69 1ueq h ASP 84 CO -0.06 1.17 0.47 0.58 -2.88 0.00 0.00 179.24 178.53 1ueq h VAL 85 N -0.75 1.13 -0.44 2.25 2.07 -0.94 0.28 116.25 119.85 1ueq h VAL 85 Ca -0.07 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1ueq h VAL 85 Cb 1.27 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1ueq h VAL 85 CO 0.05 0.17 0.20 0.58 0.02 0.00 0.00 177.57 178.60 1ueq h VAL 86 N 0.94 1.19 -0.73 2.57 2.07 -0.72 -0.89 116.25 120.67 1ueq h VAL 86 Ca 0.29 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1ueq h VAL 86 Cb -0.02 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1ueq h VAL 86 CO -0.10 0.21 0.41 0.07 0.02 0.00 0.00 177.57 178.18 1ueq h LYS 87 N 0.57 1.01 0.05 1.57 5.09 -0.39 -0.37 116.57 124.10 1ueq h LYS 87 Ca 0.15 -0.11 -0.00 0.00 0.09 0.00 0.00 60.65 60.78 1ueq h LYS 87 Cb 0.14 -0.20 0.00 0.00 0.10 0.00 0.00 32.23 32.26 1ueq h LYS 87 CO -0.02 0.74 -0.02 -0.07 -2.09 0.00 0.00 179.45 177.98 1ueq h LEU 88 N 1.02 -0.06 -0.71 7.07 3.38 -0.13 -0.48 115.31 125.40 1ueq h LEU 88 Ca 0.26 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 1ueq h LEU 88 Cb 0.01 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1ueq h LEU 88 CO -0.04 0.00 0.15 -0.26 0.09 0.00 0.00 178.44 178.38 1ueq h PHE 89 N -0.11 1.20 -0.24 1.13 0.04 -0.80 -2.74 116.94 115.42 1ueq h PHE 89 Ca -0.01 -0.15 -0.09 0.00 2.80 0.00 0.00 57.97 60.52 1ueq h PHE 89 Cb 0.10 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 37.90 1ueq h PHE 89 CO -0.06 0.98 -0.24 1.96 -0.60 0.00 0.00 178.31 180.35 1ueq h GLN 90 N 1.08 0.45 0.00 1.51 1.08 -0.88 -3.03 115.11 115.31 1ueq h GLN 90 Ca 0.22 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1ueq h GLN 90 Cb 0.40 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1ueq h GLN 90 CO 0.01 0.66 0.00 0.43 -0.95 0.00 0.00 178.83 178.98 1ueq n SER 91 N -4.13 0.00 -4.62 1.46 7.64 -0.21 -4.71 113.62 109.05 1ueq n SER 91 Ca -0.00 -0.14 -0.42 0.00 1.01 0.00 0.00 58.87 59.32 1ueq n SER 91 Cb 0.39 -0.19 -0.04 0.00 -1.01 0.00 0.00 64.21 63.36 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 -2.38 4.69 0.83 0.44 1.01 -1.15 -5.04 120.40 118.80 1ueq s VAL 92 Ca 0.18 1.34 -0.12 0.00 0.00 0.00 0.00 61.98 63.39 1ueq s VAL 92 Cb 0.11 -4.25 0.10 0.00 0.00 0.00 0.00 36.38 32.34 1ueq s VAL 92 CO 0.23 -0.35 1.18 -2.84 0.00 0.00 0.00 175.10 173.32 1ueq s PRO 93 N 3.22 1.50 0.37 2.72 0.02 -1.26 -4.96 135.00 136.59 1ueq s PRO 93 Ca 0.37 1.67 -0.28 0.00 0.02 0.00 0.00 61.00 62.78 1ueq s PRO 93 Cb -0.13 -1.77 -0.11 0.00 0.02 0.00 0.00 34.50 32.51 1ueq s PRO 93 CO 0.14 -2.30 1.51 -0.89 -0.33 0.00 0.00 177.00 175.13 1ueq n ILE 94 N -3.56 1.84 0.00 2.83 5.41 -1.26 -2.48 119.36 122.15 1ueq n ILE 94 Ca 0.13 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.42 1ueq n ILE 94 Cb 0.51 -1.98 0.00 0.00 -0.71 0.00 0.00 39.64 37.46 1ueq n ILE 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ueq n GLY 95 N 0.72 2.38 3.91 7.39 0.00 -0.91 -4.99 105.19 113.69 1ueq n GLY 95 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.33 2.55 0.27 1.61 -1.52 -1.03 -4.81 119.66 116.39 1ueq s GLN 96 Ca 0.00 -0.00 0.07 0.00 -1.95 0.00 0.00 55.36 53.48 1ueq s GLN 96 Cb 0.00 -2.16 -0.06 0.00 -0.22 0.00 0.00 33.01 30.58 1ueq s GLN 96 CO 0.00 -1.05 -0.08 -1.54 -0.25 0.00 0.00 175.29 172.37 1ueq s SER 97 N -4.42 2.81 0.02 5.90 1.04 -1.26 -0.57 113.70 117.22 1ueq s SER 97 Ca 0.58 -1.15 0.02 0.00 0.48 0.00 0.00 55.95 55.88 1ueq s SER 97 Cb -0.11 -0.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.82 1ueq s SER 97 CO 0.47 -0.28 -0.07 0.68 0.98 0.00 0.00 173.24 175.02 1ueq s VAL 98 N -2.96 0.49 0.48 5.02 -7.23 -1.00 -4.99 120.40 110.22 1ueq s VAL 98 Ca 0.28 -0.76 -0.11 0.00 -1.81 0.00 0.00 61.98 59.58 1ueq s VAL 98 Cb 0.02 -0.51 -0.06 0.00 0.56 0.00 0.00 36.38 36.39 1ueq s VAL 98 CO 0.11 -0.20 0.87 0.21 -0.31 0.00 0.00 175.10 175.79 1ueq s ASN 99 N -1.03 6.45 -0.22 4.85 3.84 -1.26 -2.34 114.94 125.23 1ueq s ASN 99 Ca -0.06 1.25 -0.04 0.00 0.21 0.00 0.00 52.86 54.23 1ueq s ASN 99 Cb -0.07 -2.38 0.10 0.00 -0.55 0.00 0.00 41.25 38.35 1ueq s ASN 99 CO 0.00 -0.56 0.26 -0.76 -2.79 0.00 0.00 177.10 173.25 1ueq s LEU 100 N -4.29 -0.22 -0.23 3.21 1.43 -0.44 -0.04 118.68 118.10 1ueq s LEU 100 Ca 0.53 -0.15 -0.21 0.00 -1.03 0.00 0.00 54.13 53.27 1ueq s LEU 100 Cb -0.10 0.54 -0.02 0.00 0.03 0.00 0.00 46.19 46.63 1ueq s LEU 100 CO 0.38 -0.32 0.64 -0.69 0.23 0.00 0.00 176.35 176.58 1ueq s VAL 101 N 2.37 4.99 0.33 -1.59 1.01 -0.45 -2.85 120.40 124.21 1ueq s VAL 101 Ca 0.08 1.17 0.09 0.00 0.00 0.00 0.00 61.98 63.32 1ueq s VAL 101 Cb -0.16 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1ueq s VAL 101 CO -0.14 0.05 -0.02 -0.76 0.00 0.00 0.00 175.10 174.23 1ueq s LEU 102 N 2.32 2.94 -0.14 3.92 1.43 -1.06 -1.69 118.68 126.39 1ueq s LEU 102 Ca 0.27 -0.98 0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1ueq s LEU 102 Cb -0.16 -1.33 -0.00 0.00 0.03 0.00 0.00 46.19 44.73 1ueq s LEU 102 CO 0.09 -0.18 -0.17 0.00 0.23 0.00 0.00 176.35 176.32 1ueq s ARG 104 N 0.68 3.39 0.00 0.00 3.52 -0.00 -1.59 118.95 124.95 1ueq s ARG 104 Ca -0.08 1.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.53 1ueq s ARG 104 Cb -0.16 -2.05 0.00 0.00 -1.56 0.00 0.00 34.95 31.18 1ueq s ARG 104 CO 0.02 -0.74 0.00 0.41 -0.81 0.00 0.00 175.30 174.18 1ueq n GLY 105 N -1.64 1.86 3.83 8.12 0.00 -1.26 -3.59 105.19 112.51 1ueq n GLY 105 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.78 3.27 1.13 1.61 2.02 -1.26 -5.00 117.35 117.34 1ueq s TYR 106 Ca 0.00 1.39 -0.18 0.00 -0.37 0.00 0.00 57.07 57.90 1ueq s TYR 106 Cb 0.00 -2.84 0.26 0.00 -0.40 0.00 0.00 41.96 38.99 1ueq s TYR 106 CO 0.00 -1.05 1.18 -1.25 -1.57 0.00 0.00 175.55 172.86 1ueq s PRO 107 N -5.02 -0.68 0.57 -1.71 0.04 -1.26 -4.82 135.00 122.12 1ueq s PRO 107 Ca 0.57 -0.21 -0.18 0.00 0.04 0.00 0.00 61.00 61.22 1ueq s PRO 107 Cb -0.13 -1.67 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 1ueq s PRO 107 CO 0.53 -3.33 1.10 -0.51 0.04 0.00 0.00 177.00 174.84 1ueq s LEU 108 N -6.61 3.64 0.26 -3.56 1.43 -1.26 -4.82 118.68 107.76 1ueq s LEU 108 Ca 0.72 2.05 0.15 0.00 -1.03 0.00 0.00 54.13 56.02 1ueq s LEU 108 Cb -0.07 -4.56 0.05 0.00 0.03 0.00 0.00 46.19 41.63 1ueq s LEU 108 CO 0.55 -1.25 1.40 1.55 0.23 0.00 0.00 176.35 178.83 1ueq h PRO 109 N 0.87 0.00 -4.67 1.29 0.13 -1.96 -3.42 132.00 124.24 1ueq h PRO 109 Ca -0.49 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.98 1ueq h PRO 109 Cb 1.25 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.99 1ueq h PRO 109 CO 0.57 0.49 -0.70 0.12 -0.23 0.00 0.00 178.00 178.25 1ueq s PHE 110 N -2.95 3.71 -0.63 1.56 5.36 -1.26 -5.08 117.98 118.68 1ueq s PHE 110 Ca 0.03 -2.87 -0.26 0.00 -0.96 0.00 0.00 56.93 52.88 1ueq s PHE 110 Cb 0.08 -2.90 0.04 0.00 -0.34 0.00 0.00 43.02 39.89 1ueq s PHE 110 CO 0.75 -0.95 1.12 -0.51 -1.46 0.00 0.00 175.22 174.18 1ueq s ASP 111 N 1.05 6.30 0.00 6.13 1.01 -1.26 -4.92 116.67 124.98 1ueq s ASP 111 Ca 0.09 -0.31 0.26 0.00 0.71 0.00 0.00 52.55 53.30 1ueq s ASP 111 Cb -0.20 -2.51 1.27 0.00 1.01 0.00 0.00 42.92 42.50 1ueq s ASP 111 CO -0.07 -1.51 1.88 -0.81 0.21 0.00 0.00 175.17 174.86 1ueq n PRO 112 N 8.36 0.28 0.16 8.23 -0.04 -1.26 -3.40 135.00 147.33 1ueq n PRO 112 Ca 0.04 0.04 0.05 0.00 -0.04 0.00 0.00 63.50 63.58 1ueq n PRO 112 Cb 0.48 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.53 1ueq n PRO 112 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1ueq h GLU 113 N 0.00 0.00 -5.14 0.54 4.11 -2.06 -3.43 114.58 108.59 1ueq h GLU 113 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.80 1ueq h GLU 113 Cb 0.29 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.39 1ueq h GLU 113 CO 0.00 0.40 -0.21 0.34 0.07 0.00 0.00 179.01 179.61 1ueq s ASP 114 N -6.40 6.26 0.39 3.06 -1.08 -1.22 -4.97 116.67 112.70 1ueq s ASP 114 Ca 0.04 0.17 0.28 0.00 -0.52 0.00 0.00 52.55 52.52 1ueq s ASP 114 Cb 0.07 -2.22 1.30 0.00 -1.46 0.00 0.00 42.92 40.62 1ueq s ASP 114 CO 0.72 -0.25 1.84 1.55 0.52 0.00 0.00 175.17 179.55 1ueq h PRO 115 N 8.25 0.00 0.00 4.34 0.13 -1.90 -3.44 132.00 139.38 1ueq h PRO 115 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1ueq h PRO 115 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ueq h PRO 115 CO 0.67 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.44 1ueq n ALA 116 N -1.88 0.00 -0.00 -0.56 0.00 -1.26 -5.12 120.51 111.69 1ueq n ALA 116 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ueq n ALA 116 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 0.00 0.00 -4.05 0.00 0.23 -1.26 -4.84 115.26 105.35 1ueq n ASN 117 Ca 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.76 1ueq n ASN 117 Cb 0.00 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.63 1ueq n ASN 117 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1ueq n SER 118 N 1.78 0.14 0.00 0.53 7.64 -1.26 -4.87 113.62 117.57 1ueq n SER 118 Ca 0.00 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.79 1ueq n SER 118 Cb 0.00 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 61.85 1ueq n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ueq n GLY 119 N -2.29 3.50 3.85 0.23 0.00 -1.26 -5.14 105.19 104.08 1ueq n GLY 119 Ca -0.25 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.16 2.72 0.79 1.61 0.04 -1.26 -4.96 135.00 131.78 1ueq s PRO 120 Ca 0.00 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1ueq s PRO 120 Cb 0.00 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1ueq s PRO 120 CO 0.00 -1.17 0.00 0.43 0.04 0.00 0.00 177.00 176.30 1ueq n SER 121 N -3.12 -6.58 -0.07 6.66 7.64 -1.26 -4.87 113.62 112.02 1ueq n SER 121 Ca 0.07 0.86 -0.14 0.00 1.01 0.00 0.00 58.87 60.67 1ueq n SER 121 Cb 0.56 -2.47 -0.05 0.00 -1.01 0.00 0.00 64.21 61.24 1ueq n SER 121 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ueq n SER 122 N -3.91 1.18 0.00 6.43 7.64 -1.26 -5.15 113.62 118.55 1ueq n SER 122 Ca 0.01 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1ueq n SER 122 Cb 0.37 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 1ueq n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64