#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 0.31 -0.45 1.61 1.04 -1.26 -5.13 113.70 109.82 1ueq s SER 2 Ca 0.00 -0.88 0.05 0.00 0.48 0.00 0.00 55.95 55.60 1ueq s SER 2 Cb 0.00 0.27 0.18 0.00 0.10 0.00 0.00 66.02 66.58 1ueq s SER 2 CO 0.00 -0.68 0.50 -1.20 0.98 0.00 0.00 173.24 172.84 1ueq n SER 3 N 0.01 -1.64 -3.22 7.02 7.64 -1.26 -5.05 113.62 117.11 1ueq n SER 3 Ca -0.13 -2.60 0.04 0.00 1.01 0.00 0.00 58.87 57.19 1ueq n SER 3 Cb 0.62 0.35 -0.03 0.00 -1.01 0.00 0.00 64.21 64.14 1ueq n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ueq s GLY 4 N 0.31 -0.13 -0.09 0.23 0.00 -1.26 -5.16 107.32 101.23 1ueq s GLY 4 Ca 0.32 3.10 -0.03 0.00 0.00 0.00 0.00 44.72 48.10 1ueq s GLY 4 CO -0.14 3.56 0.11 -0.45 0.00 0.00 0.00 173.10 176.19 1ueq s SER 5 N 2.60 1.17 0.03 1.64 0.15 -1.26 -5.03 113.70 113.00 1ueq s SER 5 Ca -0.02 0.07 -0.26 0.00 0.70 0.00 0.00 55.95 56.43 1ueq s SER 5 Cb -0.07 0.05 -0.17 0.00 -1.71 0.00 0.00 66.02 64.12 1ueq s SER 5 CO -0.14 -0.27 1.40 0.28 1.20 0.00 0.00 173.24 175.72 1ueq h SER 6 N 8.40 -0.37 -0.15 5.45 0.02 -2.03 -3.49 113.55 121.38 1ueq h SER 6 Ca -0.13 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1ueq h SER 6 Cb 1.12 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1ueq h SER 6 CO 0.17 -0.09 0.00 0.61 -1.14 0.00 0.00 176.83 176.38 1ueq n GLY 7 N -0.67 0.05 2.49 -3.77 0.00 -1.26 -5.11 105.19 96.92 1ueq n GLY 7 Ca -0.10 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 -1.18 -1.36 0.99 0.00 -1.26 -5.13 117.00 109.06 1ueq n LEU 8 Ca 0.00 -4.13 0.17 0.00 0.00 0.00 0.00 56.01 52.05 1ueq n LEU 8 Cb 0.00 0.79 -0.06 0.00 0.00 0.00 0.00 43.42 44.15 1ueq n LEU 8 CO 0.00 2.11 -0.41 0.33 0.00 0.00 0.00 177.39 179.42 1ueq n PHE 9 N 0.92 -3.39 0.00 1.96 -0.00 -1.26 -5.00 117.46 110.69 1ueq n PHE 9 Ca 0.15 1.78 0.00 0.00 -0.00 0.00 0.00 57.45 59.37 1ueq n PHE 9 Cb 0.63 -3.09 0.00 0.00 -0.00 0.00 0.00 39.48 37.03 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 -4.07 0.00 0.00 -2.13 -1.04 -1.26 -5.07 114.28 100.71 1ueq n THR 10 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1ueq n THR 10 Cb 0.67 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 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 -0.06 -2.82 1.74 -1.26 -4.93 116.66 109.33 1ueq n ARG 11 Ca 0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 1ueq n ARG 11 Cb 0.00 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 31.54 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 2.58 0.00 0.55 2.03 -1.26 -4.96 116.55 115.49 1ueq n ASP 12 Ca 0.00 -1.75 0.00 0.00 0.52 0.00 0.00 54.79 53.56 1ueq n ASP 12 Cb 0.00 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 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 0.92 0.00 0.17 -1.67 0.00 -1.26 -4.85 120.51 113.82 1ueq n ALA 13 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.69 1ueq n ALA 13 Cb 0.43 -0.19 0.70 0.00 0.00 0.00 0.00 19.45 20.38 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 1.07 0.00 0.02 -1.98 -2.34 113.55 110.33 1ueq h SER 14 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ueq h SER 14 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ueq h SER 14 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1ueq n GLN 15 N -4.35 0.10 -1.12 3.45 1.13 -1.26 -4.87 117.38 110.46 1ueq n GLN 15 Ca 0.02 0.14 -0.29 0.00 -1.94 0.00 0.00 57.00 54.92 1ueq n GLN 15 Cb 0.29 -1.63 0.16 0.00 0.11 0.00 0.00 30.24 29.16 1ueq n GLN 15 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1ueq s LEU 16 N -3.63 2.03 -0.03 1.08 1.43 -0.88 -5.07 118.68 113.61 1ueq s LEU 16 Ca 0.11 1.45 0.04 0.00 -1.03 0.00 0.00 54.13 54.71 1ueq s LEU 16 Cb 0.15 -3.78 -0.00 0.00 0.03 0.00 0.00 46.19 42.58 1ueq s LEU 16 CO 0.51 -2.89 -0.15 -0.54 0.23 0.00 0.00 176.35 173.51 1ueq s LYS 17 N -4.89 1.46 0.00 1.70 -0.14 -1.26 -5.06 119.74 111.55 1ueq s LYS 17 Ca 0.64 -0.52 0.00 0.00 -1.36 0.00 0.00 55.97 54.73 1ueq s LYS 17 Cb -0.19 -1.32 0.00 0.00 -1.68 0.00 0.00 37.83 34.65 1ueq s LYS 17 CO 0.58 0.23 0.00 0.41 -0.76 0.00 0.00 175.35 175.81 1ueq n GLY 18 N 3.09 0.94 3.81 -3.33 0.00 -1.26 -4.65 105.19 103.79 1ueq n GLY 18 Ca -0.17 -1.92 -0.22 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.60 4.03 -0.17 2.61 2.01 -0.92 -4.92 115.64 115.68 1ueq s THR 19 Ca 0.00 -1.47 0.01 0.00 0.31 0.00 0.00 61.69 60.54 1ueq s THR 19 Cb 0.00 -3.26 0.02 0.00 0.01 0.00 0.00 72.50 69.26 1ueq s THR 19 CO 0.00 -0.30 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.07 1ueq s PHE 20 N -2.21 2.76 0.03 4.92 0.40 -1.26 -1.67 117.98 120.95 1ueq s PHE 20 Ca 0.35 -1.53 -0.08 0.00 -0.60 0.00 0.00 56.93 55.06 1ueq s PHE 20 Cb -0.07 -1.90 0.00 0.00 0.51 0.00 0.00 43.02 41.56 1ueq s PHE 20 CO 0.25 -0.74 0.16 -0.48 0.70 0.00 0.00 175.22 175.11 1ueq s LEU 21 N 1.17 1.49 0.19 -0.37 -0.00 -0.78 -5.03 118.68 115.35 1ueq s LEU 21 Ca 0.02 -0.38 -0.19 0.00 -0.00 0.00 0.00 54.13 53.58 1ueq s LEU 21 Cb -0.14 0.84 0.04 0.00 -0.00 0.00 0.00 46.19 46.93 1ueq s LEU 21 CO -0.10 -0.52 0.55 -0.94 -0.00 0.00 0.00 176.35 175.35 1ueq s SER 22 N -1.99 -0.35 0.09 1.48 1.04 -1.26 -0.63 113.70 112.09 1ueq s SER 22 Ca -0.06 -0.33 -0.19 0.00 0.48 0.00 0.00 55.95 55.85 1ueq s SER 22 Cb -0.02 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.73 1ueq s SER 22 CO -0.03 -1.04 0.45 0.28 0.98 0.00 0.00 173.24 173.89 1ueq s THR 23 N -3.83 0.05 -0.28 2.02 -1.32 -0.73 -5.00 115.64 106.55 1ueq s THR 23 Ca 0.06 -0.41 -0.10 0.00 -1.21 0.00 0.00 61.69 60.03 1ueq s THR 23 Cb -0.01 -1.06 -0.04 0.00 -1.51 0.00 0.00 72.50 69.88 1ueq s THR 23 CO -0.06 -0.22 0.17 -0.89 -2.21 0.00 0.00 174.62 171.40 1ueq s THR 24 N -3.21 5.09 0.24 5.08 2.01 -1.26 -1.40 115.64 122.20 1ueq s THR 24 Ca -0.01 0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.11 1ueq s THR 24 Cb 0.00 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 1ueq s THR 24 CO -0.08 0.26 0.38 -0.76 -0.69 0.00 0.00 174.62 173.73 1ueq s LEU 25 N 1.73 4.28 -0.04 4.42 1.43 -1.20 -4.99 118.68 124.31 1ueq s LEU 25 Ca 0.07 0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1ueq s LEU 25 Cb -0.16 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 1ueq s LEU 25 CO 0.09 -0.09 0.08 -0.75 0.23 0.00 0.00 176.35 175.92 1ueq s LYS 26 N -3.93 3.14 -0.60 1.70 2.20 -1.26 -2.81 119.74 118.18 1ueq s LYS 26 Ca 0.35 -0.40 -0.26 0.00 -0.36 0.00 0.00 55.97 55.30 1ueq s LYS 26 Cb -0.09 -2.92 -0.04 0.00 -1.51 0.00 0.00 37.83 33.27 1ueq s LYS 26 CO 0.30 0.68 2.03 0.21 -0.36 0.00 0.00 175.35 178.21 1ueq s LYS 27 N -1.47 2.45 0.00 4.03 2.47 0.82 -4.73 119.74 123.32 1ueq s LYS 27 Ca 0.20 0.78 0.00 0.00 -1.56 0.00 0.00 55.97 55.39 1ueq s LYS 27 Cb -0.12 -4.48 0.00 0.00 -1.46 0.00 0.00 37.83 31.77 1ueq s LYS 27 CO 0.10 -2.95 0.00 0.43 0.16 0.00 0.00 175.35 173.09 1ueq n SER 28 N 13.80 0.00 -0.01 1.43 7.64 0.57 -2.25 113.62 134.81 1ueq n SER 28 Ca 0.26 -0.34 -0.07 0.00 1.01 0.00 0.00 58.87 59.73 1ueq n SER 28 Cb 0.52 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.68 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 -0.83 -2.66 6.43 2.35 -2.01 -2.73 115.58 116.12 1ueq h ASN 29 Ca 0.00 0.10 -0.79 0.00 -0.55 0.00 0.00 56.30 55.05 1ueq h ASN 29 Cb 0.00 0.33 -0.29 0.00 0.05 0.00 0.00 38.32 38.41 1ueq h ASN 29 CO 0.00 -0.23 0.76 0.23 -1.65 0.00 0.00 177.43 176.54 1ueq n MET 30 N -3.94 4.66 0.00 0.81 2.81 -1.26 -5.00 117.12 115.19 1ueq n MET 30 Ca -0.03 -4.61 0.00 0.00 -1.81 0.00 0.00 57.70 51.26 1ueq n MET 30 Cb 0.18 -2.48 0.00 0.00 -0.71 0.00 0.00 33.22 30.21 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 0.84 1.09 3.32 3.03 0.00 -1.03 -4.54 105.19 107.90 1ueq n GLY 31 Ca 0.33 0.53 -0.24 0.00 0.00 0.00 0.00 46.02 46.64 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 1.87 -0.13 1.61 0.08 -1.26 -0.32 117.98 119.83 1ueq s PHE 32 Ca 0.00 -0.43 -0.00 0.00 0.12 0.00 0.00 56.93 56.61 1ueq s PHE 32 Cb 0.00 -0.98 0.09 0.00 -0.57 0.00 0.00 43.02 41.55 1ueq s PHE 32 CO 0.00 0.28 2.03 0.41 -0.10 0.00 0.00 175.22 177.84 1ueq n GLY 33 N 0.72 3.18 3.39 4.36 0.00 -1.26 -4.83 105.19 110.75 1ueq n GLY 33 Ca -0.17 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.76 -0.21 0.16 1.61 -0.71 -1.26 -0.57 117.98 116.24 1ueq s PHE 34 Ca 0.14 -0.10 0.05 0.00 -1.04 0.00 0.00 56.93 55.98 1ueq s PHE 34 Cb 0.11 0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 42.20 1ueq s PHE 34 CO -0.00 -0.78 -0.11 0.95 -1.34 0.00 0.00 175.22 173.93 1ueq s THR 35 N -3.82 1.30 0.26 -4.49 -4.23 0.26 -4.93 115.64 99.99 1ueq s THR 35 Ca 0.05 -2.09 0.08 0.00 -1.18 0.00 0.00 61.69 58.54 1ueq s THR 35 Cb 0.01 -1.89 -0.05 0.00 1.34 0.00 0.00 72.50 71.91 1ueq s THR 35 CO -0.09 -0.71 -0.11 -0.63 -0.54 0.00 0.00 174.62 172.54 1ueq s ILE 36 N -3.23 1.83 0.06 2.99 1.09 -1.26 -0.25 121.20 122.43 1ueq s ILE 36 Ca 0.18 -2.20 0.03 0.00 -1.10 0.00 0.00 60.65 57.56 1ueq s ILE 36 Cb 0.02 -2.31 -0.03 0.00 -1.06 0.00 0.00 42.46 39.07 1ueq s ILE 36 CO 0.02 -0.40 -0.10 -0.51 -0.10 0.00 0.00 174.94 173.85 1ueq s ILE 37 N -2.90 0.76 0.18 2.92 2.07 -0.85 -4.51 121.20 118.86 1ueq s ILE 37 Ca 0.27 -1.29 0.11 0.00 -1.41 0.00 0.00 60.65 58.34 1ueq s ILE 37 Cb 0.01 -0.92 -0.04 0.00 0.13 0.00 0.00 42.46 41.64 1ueq s ILE 37 CO 0.11 -0.41 -0.24 -0.83 -1.91 0.00 0.00 174.94 171.66 1ueq s GLY 38 N -1.87 1.66 0.00 1.50 0.00 -1.26 -3.34 107.32 104.02 1ueq s GLY 38 Ca -0.04 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.08 1ueq s GLY 38 CO 0.00 -1.61 0.28 0.61 0.00 0.00 0.00 173.10 172.38 1ueq n GLY 39 N 0.40 -1.50 0.00 0.20 0.00 -1.26 -5.01 105.19 98.02 1ueq n GLY 39 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.40 0.00 -4.95 1.61 8.00 -1.26 -5.13 116.55 114.43 1ueq n ASP 40 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 1ueq n ASP 40 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 -0.44 3.25 -0.02 -1.24 2.02 -1.26 -4.98 118.70 116.03 1ueq s GLU 41 Ca 0.00 -0.41 -0.02 0.00 0.02 0.00 0.00 54.97 54.56 1ueq s GLU 41 Cb 0.00 -2.60 -0.07 0.00 0.10 0.00 0.00 34.13 31.56 1ueq s GLU 41 CO 0.00 -0.10 2.50 -0.35 0.02 0.00 0.00 175.26 177.33 1ueq n PRO 42 N -1.97 1.36 -0.08 0.39 -0.04 -1.26 -2.93 135.00 130.47 1ueq n PRO 42 Ca -0.01 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.05 1ueq n PRO 42 Cb 0.57 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 1ueq n PRO 42 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ueq n ASP 43 N 1.75 0.00 -4.87 3.54 5.68 -1.04 -4.69 116.55 116.92 1ueq n ASP 43 Ca 0.15 -0.68 -0.30 0.00 -0.50 0.00 0.00 54.79 53.46 1ueq n ASP 43 Cb 0.63 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.58 1ueq n ASP 43 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1ueq s GLU 44 N 0.00 3.77 -0.34 0.11 0.41 -1.15 -4.78 118.70 116.73 1ueq s GLU 44 Ca 0.00 0.49 -0.24 0.00 -0.41 0.00 0.00 54.97 54.81 1ueq s GLU 44 Cb 0.00 -2.37 0.01 0.00 -1.78 0.00 0.00 34.13 29.99 1ueq s GLU 44 CO 0.00 -0.07 0.83 -0.06 -0.49 0.00 0.00 175.26 175.47 1ueq s PHE 45 N -2.42 3.15 0.24 1.61 0.40 -1.26 -4.27 117.98 115.42 1ueq s PHE 45 Ca 0.52 0.75 -0.29 0.00 -0.60 0.00 0.00 56.93 57.31 1ueq s PHE 45 Cb -0.10 -3.39 -0.09 0.00 0.51 0.00 0.00 43.02 39.95 1ueq s PHE 45 CO 0.32 -0.68 0.91 -0.51 0.70 0.00 0.00 175.22 175.96 1ueq s LEU 46 N 3.14 4.60 0.12 -0.37 1.43 -1.25 -4.76 118.68 121.60 1ueq s LEU 46 Ca 0.34 1.88 0.04 0.00 -1.03 0.00 0.00 54.13 55.36 1ueq s LEU 46 Cb -0.13 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 1ueq s LEU 46 CO 0.15 0.14 -0.11 -1.10 0.23 0.00 0.00 176.35 175.66 1ueq s GLN 47 N -1.29 0.98 -0.21 1.70 -0.21 -1.21 -0.80 119.66 118.61 1ueq s GLN 47 Ca 0.41 -1.30 -0.28 0.00 0.02 0.00 0.00 55.36 54.21 1ueq s GLN 47 Cb -0.24 -0.65 -0.05 0.00 1.00 0.00 0.00 33.01 33.07 1ueq s GLN 47 CO 0.30 0.10 2.13 0.08 -2.12 0.00 0.00 175.29 175.77 1ueq s VAL 48 N -2.76 3.09 0.07 1.09 1.01 0.28 -2.02 120.40 121.17 1ueq s VAL 48 Ca 0.11 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 1ueq s VAL 48 Cb -0.01 -3.12 -0.18 0.00 0.00 0.00 0.00 36.38 33.08 1ueq s VAL 48 CO 0.01 -0.07 1.61 0.50 0.00 0.00 0.00 175.10 177.15 1ueq h LYS 49 N 14.29 -0.59 -3.35 2.72 3.64 -0.85 -2.88 116.57 129.56 1ueq h LYS 49 Ca -0.40 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.99 1ueq h LYS 49 Cb 1.23 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 33.08 1ueq h LYS 49 CO 0.97 -0.37 0.00 -1.54 -2.27 0.00 0.00 179.45 176.24 1ueq s SER 50 N -4.68 -0.24 0.07 4.20 1.04 -1.10 -4.74 113.70 108.25 1ueq s SER 50 Ca -0.16 -0.50 -0.09 0.00 0.48 0.00 0.00 55.95 55.69 1ueq s SER 50 Cb 0.04 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.67 1ueq s SER 50 CO 0.62 -1.03 0.37 -0.69 0.98 0.00 0.00 173.24 173.49 1ueq s VAL 51 N -3.88 5.15 -0.17 5.02 1.01 -1.26 -0.58 120.40 125.70 1ueq s VAL 51 Ca 0.09 0.35 -0.26 0.00 0.00 0.00 0.00 61.98 62.16 1ueq s VAL 51 Cb -0.01 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 1ueq s VAL 51 CO -0.03 0.29 0.87 -0.63 0.00 0.00 0.00 175.10 175.60 1ueq s ILE 52 N -1.39 4.85 0.61 2.22 1.09 0.26 -4.93 121.20 123.92 1ueq s ILE 52 Ca 0.32 1.71 -0.18 0.00 -1.10 0.00 0.00 60.65 61.41 1ueq s ILE 52 Cb -0.14 -4.17 -0.02 0.00 -1.06 0.00 0.00 42.46 37.07 1ueq s ILE 52 CO 0.18 0.00 1.19 -2.16 -0.10 0.00 0.00 174.94 174.06 1ueq s PRO 53 N 2.25 2.88 0.00 2.79 0.04 -1.26 -2.31 135.00 139.38 1ueq s PRO 53 Ca 0.40 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1ueq s PRO 53 Cb -0.17 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1ueq s PRO 53 CO 0.12 -1.26 0.00 -0.40 0.04 0.00 0.00 177.00 175.50 1ueq n ASP 54 N -1.78 0.00 -4.78 6.66 5.68 -1.26 -4.99 116.55 116.08 1ueq n ASP 54 Ca 0.13 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 54.13 1ueq n ASP 54 Cb 0.50 -2.31 0.12 0.00 -1.14 0.00 0.00 41.12 38.29 1ueq n ASP 54 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1ueq s GLY 55 N -1.90 1.60 0.43 6.12 0.00 -0.98 -4.83 107.32 107.77 1ueq s GLY 55 Ca 0.00 -0.33 0.21 0.00 0.00 0.00 0.00 44.72 44.60 1ueq s GLY 55 CO 0.00 0.17 1.89 -0.56 0.00 0.00 0.00 173.10 174.60 1ueq h PRO 56 N -1.36 0.00 -0.26 2.90 0.13 -1.86 -1.68 132.00 129.89 1ueq h PRO 56 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 1ueq h PRO 56 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1ueq h PRO 56 CO 0.60 0.27 -0.03 0.00 -0.23 0.00 0.00 178.00 178.61 1ueq h ALA 57 N 1.73 0.35 -0.55 -0.56 0.00 -1.88 -1.19 119.26 117.17 1ueq h ALA 57 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1ueq h ALA 57 Cb 0.61 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1ueq h ALA 57 CO 0.03 0.11 0.29 0.00 0.00 0.00 0.00 179.25 179.69 1ueq h ALA 58 N 0.79 0.70 0.00 0.00 0.00 -1.60 -1.23 119.26 117.93 1ueq h ALA 58 Ca 0.07 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1ueq h ALA 58 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ueq h ALA 58 CO 0.02 0.23 -0.29 1.96 0.00 0.00 0.00 179.25 181.16 1ueq h GLN 59 N 0.74 0.00 -0.35 0.00 4.20 -1.32 -2.60 115.11 115.78 1ueq h GLN 59 Ca 0.19 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.75 1ueq h GLN 59 Cb 0.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1ueq h GLN 59 CO -0.03 0.29 -0.40 0.22 -0.67 0.00 0.00 178.83 178.25 1ueq h ASP 60 N 0.00 0.91 -0.03 1.46 3.58 -0.69 -3.48 116.42 118.17 1ueq h ASP 60 Ca -0.00 -0.42 -0.01 0.00 0.42 0.00 0.00 57.03 57.02 1ueq h ASP 60 Cb 0.71 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.50 1ueq h ASP 60 CO 0.04 1.19 -0.01 0.61 -2.88 0.00 0.00 179.24 178.19 1ueq n GLY 61 N 0.11 0.42 0.13 -0.78 0.00 -0.51 -4.95 105.19 99.61 1ueq n GLY 61 Ca -0.02 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.69 1ueq n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ueq n LYS 62 N -2.91 0.57 -2.84 1.61 4.01 -1.26 -5.02 118.16 112.32 1ueq n LYS 62 Ca -0.01 0.29 -0.35 0.00 -0.51 0.00 0.00 58.31 57.73 1ueq n LYS 62 Cb 0.04 -1.51 -0.07 0.00 -0.51 0.00 0.00 35.03 32.98 1ueq n LYS 62 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 1ueq s MET 63 N -2.56 4.39 0.19 1.97 0.00 -1.26 -5.01 119.30 117.02 1ueq s MET 63 Ca -0.36 1.17 0.02 0.00 0.00 0.00 0.00 55.69 56.53 1ueq s MET 63 Cb 0.12 -2.56 -0.05 0.00 0.00 0.00 0.00 34.83 32.34 1ueq s MET 63 CO 0.48 0.17 0.01 -1.21 0.00 0.00 0.00 175.02 174.47 1ueq s GLU 64 N -2.51 1.18 -0.14 4.11 2.02 -1.26 -4.88 118.70 117.22 1ueq s GLU 64 Ca 0.54 -1.58 -0.29 0.00 0.02 0.00 0.00 54.97 53.66 1ueq s GLU 64 Cb -0.14 -0.33 -0.02 0.00 0.10 0.00 0.00 34.13 33.73 1ueq s GLU 64 CO 0.19 -0.14 1.25 0.99 0.02 0.00 0.00 175.26 177.58 1ueq s THR 65 N -3.62 4.26 0.00 3.63 2.01 -1.26 -2.68 115.64 117.98 1ueq s THR 65 Ca 0.26 1.54 0.00 0.00 0.31 0.00 0.00 61.69 63.80 1ueq s THR 65 Cb 0.06 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.58 1ueq s THR 65 CO 0.06 -0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.49 1ueq n GLY 66 N 3.56 2.55 3.75 4.40 0.00 -1.09 -5.01 105.19 113.35 1ueq n GLY 66 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.66 4.93 -0.24 1.61 1.01 -1.09 -4.68 116.67 116.56 1ueq s ASP 67 Ca 0.00 2.43 -0.10 0.00 0.71 0.00 0.00 52.55 55.59 1ueq s ASP 67 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 1ueq s ASP 67 CO 0.00 -1.77 0.14 -0.69 0.21 0.00 0.00 175.17 173.06 1ueq s VAL 68 N -1.61 5.12 0.03 -1.27 1.01 -0.50 -0.55 120.40 122.62 1ueq s VAL 68 Ca 0.78 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 1ueq s VAL 68 Cb -0.32 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1ueq s VAL 68 CO 0.36 0.35 1.21 -0.63 0.00 0.00 0.00 175.10 176.39 1ueq s ILE 69 N 1.12 4.09 -0.07 2.22 1.09 0.02 -1.03 121.20 128.64 1ueq s ILE 69 Ca 0.06 1.48 -0.08 0.00 -1.10 0.00 0.00 60.65 61.02 1ueq s ILE 69 Cb -0.14 -3.95 -0.04 0.00 -1.06 0.00 0.00 42.46 37.27 1ueq s ILE 69 CO 0.05 0.08 -0.17 0.52 -0.10 0.00 0.00 174.94 175.31 1ueq n VAL 70 N 4.13 1.17 -4.18 2.92 0.31 -0.53 -4.52 118.33 117.63 1ueq n VAL 70 Ca 0.10 0.13 -0.17 0.00 -0.01 0.00 0.00 64.34 64.39 1ueq n VAL 70 Cb 0.46 -1.87 -0.12 0.00 -0.91 0.00 0.00 33.84 31.40 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 -2.38 0.93 -0.10 3.52 2.02 -1.15 -1.24 117.35 118.96 1ueq s TYR 71 Ca -0.16 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.15 1ueq s TYR 71 Cb 0.04 -0.55 0.02 0.00 -0.40 0.00 0.00 41.96 41.07 1ueq s TYR 71 CO 0.22 -0.01 -0.07 0.42 -1.57 0.00 0.00 175.55 174.54 1ueq s ILE 72 N -1.05 0.95 0.00 2.71 1.01 -0.37 -1.87 121.20 122.57 1ueq s ILE 72 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.35 1ueq s ILE 72 Cb -0.08 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.43 1ueq s ILE 72 CO 0.01 0.34 0.00 0.59 0.00 0.00 0.00 174.94 175.88 1ueq n ASN 73 N 4.69 0.00 0.00 3.58 3.02 0.30 -1.44 115.26 125.41 1ueq n ASN 73 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 1ueq n ASN 73 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 1ueq n ASN 73 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1ueq n GLU 74 N 0.00 -0.34 -4.60 3.52 4.07 -1.26 -4.66 120.64 117.36 1ueq n GLU 74 Ca 0.00 -0.51 -0.33 0.00 -0.06 0.00 0.00 57.16 56.26 1ueq n GLU 74 Cb 0.00 -0.88 -0.13 0.00 -0.06 0.00 0.00 31.44 30.37 1ueq n GLU 74 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1ueq s VAL 75 N -0.11 3.49 -0.09 6.31 1.01 -0.52 -5.08 120.40 125.41 1ueq s VAL 75 Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 1ueq s VAL 75 Cb 0.00 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1ueq s VAL 75 CO 0.00 0.52 1.25 0.00 0.00 0.00 0.00 175.10 176.87 1ueq n VAL 77 N 4.91 1.28 -0.20 0.00 0.24 -0.37 -4.89 118.33 119.29 1ueq n VAL 77 Ca 0.12 -1.32 0.14 0.00 -2.04 0.00 0.00 64.34 61.24 1ueq n VAL 77 Cb 0.45 0.29 0.46 0.00 -1.47 0.00 0.00 33.84 33.57 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 0.51 0.49 -3.04 1.34 8.10 -1.78 0.40 115.31 121.33 1ueq h LEU 78 Ca 0.00 0.03 0.00 0.00 0.11 0.00 0.00 57.88 58.02 1ueq h LEU 78 Cb 0.71 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.86 1ueq h LEU 78 CO 0.02 0.25 0.00 0.61 -4.11 0.00 0.00 178.44 175.21 1ueq n GLY 79 N -1.49 4.02 3.65 0.17 0.00 -1.26 -3.86 105.19 106.42 1ueq n GLY 79 Ca 0.15 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.19 1.89 0.26 1.61 3.76 0.13 -2.49 115.29 118.26 1ueq s HIS 80 Ca 0.25 1.37 -0.29 0.00 -0.15 0.00 0.00 55.06 56.23 1ueq s HIS 80 Cb 0.20 -3.18 -0.09 0.00 1.11 0.00 0.00 32.58 30.61 1ueq s HIS 80 CO 0.05 -2.89 1.23 0.95 -0.85 0.00 0.00 174.74 173.22 1ueq s THR 81 N -2.74 3.20 0.59 1.30 -4.23 -1.26 -4.66 115.64 107.85 1ueq s THR 81 Ca 0.66 1.12 0.30 0.00 -1.18 0.00 0.00 61.69 62.58 1ueq s THR 81 Cb -0.21 -3.71 0.36 0.00 1.34 0.00 0.00 72.50 70.28 1ueq s THR 81 CO 0.59 0.23 2.24 -0.74 -0.54 0.00 0.00 174.62 176.41 1ueq h HIS 82 N 4.26 0.00 0.58 3.99 2.76 -1.93 -0.21 115.15 124.60 1ueq h HIS 82 Ca -0.47 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 57.68 1ueq h HIS 82 Cb 1.22 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.17 1ueq h HIS 82 CO 0.59 0.00 -0.40 0.00 -1.30 0.00 0.00 177.93 176.82 1ueq h ALA 83 N 1.97 -0.98 0.47 5.26 0.00 -1.98 -1.18 119.26 122.82 1ueq h ALA 83 Ca 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1ueq h ALA 83 Cb 0.06 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ueq h ALA 83 CO -0.00 -1.07 -0.23 0.22 0.00 0.00 0.00 179.25 178.16 1ueq h ASP 84 N -0.94 -0.56 -0.80 0.00 1.82 -1.69 -0.28 116.42 113.97 1ueq h ASP 84 Ca -0.07 0.02 0.07 0.00 -0.39 0.00 0.00 57.03 56.66 1ueq h ASP 84 Cb 0.78 0.15 -0.06 0.00 0.68 0.00 0.00 39.33 40.87 1ueq h ASP 84 CO 0.04 -0.39 0.47 0.58 -1.61 0.00 0.00 179.24 178.33 1ueq h VAL 85 N -0.64 0.98 -0.22 2.25 2.07 -1.16 0.31 116.25 119.84 1ueq h VAL 85 Ca -0.06 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 1ueq h VAL 85 Cb 0.50 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1ueq h VAL 85 CO 0.10 0.15 -0.25 0.58 0.02 0.00 0.00 177.57 178.17 1ueq h VAL 86 N 0.84 1.26 -0.72 2.57 2.07 -1.06 -1.52 116.25 119.68 1ueq h VAL 86 Ca 0.36 -1.23 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 1ueq h VAL 86 Cb 0.24 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1ueq h VAL 86 CO -0.20 0.39 0.22 0.07 0.02 0.00 0.00 177.57 178.07 1ueq h LYS 87 N 0.37 1.12 -0.08 1.57 2.10 0.12 -0.62 116.57 121.16 1ueq h LYS 87 Ca 0.06 -0.24 -0.00 0.00 -2.00 0.00 0.00 60.65 58.46 1ueq h LYS 87 Cb 0.64 -0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1ueq h LYS 87 CO 0.05 0.96 0.04 -0.07 -2.00 0.00 0.00 179.45 178.43 1ueq h LEU 88 N 1.08 0.09 -0.62 7.07 3.38 -0.01 0.50 115.31 126.80 1ueq h LEU 88 Ca 0.23 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1ueq h LEU 88 Cb 0.31 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1ueq h LEU 88 CO -0.01 0.13 0.15 -0.26 0.09 0.00 0.00 178.44 178.55 1ueq h PHE 89 N 0.05 1.04 -0.48 1.13 0.04 -1.12 -2.53 116.94 115.07 1ueq h PHE 89 Ca 0.03 -0.12 0.06 0.00 2.80 0.00 0.00 57.97 60.74 1ueq h PHE 89 Cb 0.06 -0.29 -0.05 0.00 2.20 0.00 0.00 35.95 37.86 1ueq h PHE 89 CO -0.05 0.87 0.17 1.96 -0.60 0.00 0.00 178.31 180.66 1ueq h GLN 90 N 0.91 0.33 0.00 1.51 1.08 -0.66 -3.15 115.11 115.12 1ueq h GLN 90 Ca 0.19 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1ueq h GLN 90 Cb 0.35 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1ueq h GLN 90 CO 0.00 0.22 0.00 -1.13 -0.95 0.00 0.00 178.83 176.97 1ueq n SER 91 N -5.01 0.46 -4.59 1.46 3.41 0.13 -4.50 113.62 104.98 1ueq n SER 91 Ca 0.04 0.66 -0.43 0.00 -0.26 0.00 0.00 58.87 58.89 1ueq n SER 91 Cb 0.19 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.36 1ueq n SER 91 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ueq s VAL 92 N -3.33 4.40 0.71 -3.33 1.01 -1.19 -5.01 120.40 113.66 1ueq s VAL 92 Ca 0.01 1.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.90 1ueq s VAL 92 Cb 0.07 -4.48 0.02 0.00 0.00 0.00 0.00 36.38 31.99 1ueq s VAL 92 CO 0.25 -0.84 1.07 -2.16 0.00 0.00 0.00 175.10 173.42 1ueq s PRO 93 N 3.96 2.78 0.12 2.72 0.04 -1.26 -4.93 135.00 138.42 1ueq s PRO 93 Ca 0.41 1.01 -0.33 0.00 0.04 0.00 0.00 61.00 62.14 1ueq s PRO 93 Cb -0.09 -1.97 -0.12 0.00 0.04 0.00 0.00 34.50 32.36 1ueq s PRO 93 CO 0.27 -1.23 1.74 -0.89 0.04 0.00 0.00 177.00 176.93 1ueq n ILE 94 N -3.22 0.22 0.00 0.56 5.41 -1.26 -1.84 119.36 119.24 1ueq n ILE 94 Ca 0.08 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.79 1ueq n ILE 94 Cb 0.53 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 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 3.95 0.65 3.72 7.39 0.00 -0.95 -5.05 105.19 114.90 1ueq n GLY 95 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.88 2.34 0.31 1.61 -1.52 -0.77 -4.94 119.66 115.81 1ueq s GLN 96 Ca 0.00 -1.57 0.08 0.00 -1.95 0.00 0.00 55.36 51.91 1ueq s GLN 96 Cb 0.00 -2.14 -0.06 0.00 -0.22 0.00 0.00 33.01 30.59 1ueq s GLN 96 CO 0.00 0.11 -0.08 -1.54 -0.25 0.00 0.00 175.29 173.53 1ueq s SER 97 N -3.83 3.17 0.03 5.90 1.04 -1.26 -0.13 113.70 118.62 1ueq s SER 97 Ca 0.37 -1.19 0.01 0.00 0.48 0.00 0.00 55.95 55.62 1ueq s SER 97 Cb -0.02 -0.24 -0.02 0.00 0.10 0.00 0.00 66.02 65.83 1ueq s SER 97 CO 0.22 -0.28 -0.04 0.68 0.98 0.00 0.00 173.24 174.80 1ueq s VAL 98 N -2.84 0.22 0.44 5.02 -7.23 -1.12 -4.98 120.40 109.91 1ueq s VAL 98 Ca 0.31 -0.97 -0.13 0.00 -1.81 0.00 0.00 61.98 59.38 1ueq s VAL 98 Cb 0.03 -0.37 -0.07 0.00 0.56 0.00 0.00 36.38 36.53 1ueq s VAL 98 CO 0.14 -0.48 0.85 0.21 -0.31 0.00 0.00 175.10 175.51 1ueq s ASN 99 N -1.51 6.59 -0.11 4.85 3.84 -1.26 -3.21 114.94 124.13 1ueq s ASN 99 Ca -0.14 1.31 -0.05 0.00 0.21 0.00 0.00 52.86 54.19 1ueq s ASN 99 Cb -0.10 -2.40 0.05 0.00 -0.55 0.00 0.00 41.25 38.26 1ueq s ASN 99 CO -0.01 -0.45 0.24 -0.76 -2.79 0.00 0.00 177.10 173.33 1ueq s LEU 100 N -3.84 0.18 -0.17 3.21 1.43 -0.49 -0.54 118.68 118.46 1ueq s LEU 100 Ca 0.54 0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 54.10 1ueq s LEU 100 Cb -0.10 0.67 -0.04 0.00 0.03 0.00 0.00 46.19 46.75 1ueq s LEU 100 CO 0.30 -0.19 0.05 -0.69 0.23 0.00 0.00 176.35 176.04 1ueq s VAL 101 N 1.68 4.69 0.40 -1.59 1.01 -0.78 -1.78 120.40 124.02 1ueq s VAL 101 Ca -0.05 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 61.93 1ueq s VAL 101 Cb -0.11 -3.09 -0.07 0.00 0.00 0.00 0.00 36.38 33.11 1ueq s VAL 101 CO -0.08 0.48 0.03 -0.76 0.00 0.00 0.00 175.10 174.77 1ueq s LEU 102 N 0.23 2.92 0.03 3.92 1.43 0.20 -1.46 118.68 125.96 1ueq s LEU 102 Ca 0.03 -1.26 0.05 0.00 -1.03 0.00 0.00 54.13 51.92 1ueq s LEU 102 Cb -0.12 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 1ueq s LEU 102 CO 0.01 -0.43 -0.16 0.00 0.23 0.00 0.00 176.35 176.00 1ueq s ARG 104 N -1.00 2.22 0.00 0.00 3.52 -0.67 -1.40 118.95 121.62 1ueq s ARG 104 Ca 0.04 -0.55 0.00 0.00 -0.13 0.00 0.00 55.73 55.09 1ueq s ARG 104 Cb -0.08 -1.96 0.00 0.00 -1.56 0.00 0.00 34.95 31.35 1ueq s ARG 104 CO 0.01 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.77 1ueq n GLY 105 N 4.45 0.65 3.79 8.12 0.00 -1.26 -2.17 105.19 118.77 1ueq n GLY 105 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 2.87 1.10 1.61 2.02 -1.26 -5.06 117.35 118.63 1ueq s TYR 106 Ca 0.00 1.50 -0.17 0.00 -0.37 0.00 0.00 57.07 58.03 1ueq s TYR 106 Cb 0.00 -3.00 0.24 0.00 -0.40 0.00 0.00 41.96 38.80 1ueq s TYR 106 CO 0.00 -1.42 1.15 -1.25 -1.57 0.00 0.00 175.55 172.46 1ueq s PRO 107 N -4.64 -0.39 0.72 -1.71 0.04 -1.26 -4.89 135.00 122.88 1ueq s PRO 107 Ca 0.61 -0.01 -0.11 0.00 0.04 0.00 0.00 61.00 61.53 1ueq s PRO 107 Cb -0.16 -1.69 0.03 0.00 0.04 0.00 0.00 34.50 32.72 1ueq s PRO 107 CO 0.49 -3.17 1.08 -0.51 0.04 0.00 0.00 177.00 174.93 1ueq s LEU 108 N -6.58 3.14 0.16 -3.56 1.43 -1.26 -4.97 118.68 107.04 1ueq s LEU 108 Ca 0.70 1.77 0.26 0.00 -1.03 0.00 0.00 54.13 55.83 1ueq s LEU 108 Cb -0.10 -4.52 0.75 0.00 0.03 0.00 0.00 46.19 42.35 1ueq s LEU 108 CO 0.55 -1.73 1.68 -0.81 0.23 0.00 0.00 176.35 176.28 1ueq n PRO 109 N -3.17 0.23 -4.17 1.29 -0.04 -1.26 -4.65 135.00 123.25 1ueq n PRO 109 Ca 0.09 0.16 -0.33 0.00 -0.04 0.00 0.00 63.50 63.37 1ueq n PRO 109 Cb 0.53 -1.74 -0.15 0.00 -0.04 0.00 0.00 33.50 32.10 1ueq n PRO 109 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1ueq s PHE 110 N -3.10 2.82 -0.63 0.54 5.36 -1.26 -5.09 117.98 116.61 1ueq s PHE 110 Ca 0.10 -1.37 -0.28 0.00 -0.96 0.00 0.00 56.93 54.43 1ueq s PHE 110 Cb 0.13 -1.95 0.03 0.00 -0.34 0.00 0.00 43.02 40.89 1ueq s PHE 110 CO 0.62 -0.68 1.21 -0.51 -1.46 0.00 0.00 175.22 174.40 1ueq s ASP 111 N 1.23 6.34 0.26 6.13 1.01 -1.26 -4.91 116.67 125.47 1ueq s ASP 111 Ca 0.03 -0.11 0.13 0.00 0.71 0.00 0.00 52.55 53.31 1ueq s ASP 111 Cb -0.14 -2.55 0.13 0.00 1.01 0.00 0.00 42.92 41.38 1ueq s ASP 111 CO -0.08 -1.59 1.47 1.55 0.21 0.00 0.00 175.17 176.73 1ueq h PRO 112 N 9.70 0.00 0.18 8.23 0.13 -1.98 -3.27 132.00 144.99 1ueq h PRO 112 Ca -0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1ueq h PRO 112 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1ueq h PRO 112 CO 1.22 0.61 -0.09 1.49 -0.23 0.00 0.00 178.00 181.00 1ueq h GLU 113 N 0.00 -0.23 -3.73 0.86 4.81 -2.06 -3.42 114.58 110.81 1ueq h GLU 113 Ca -0.01 0.02 -0.64 0.00 -0.13 0.00 0.00 59.36 58.60 1ueq h GLU 113 Cb 1.37 0.05 -0.41 0.00 0.63 0.00 0.00 28.75 30.40 1ueq h GLU 113 CO 0.08 -0.15 -0.66 -0.51 -0.73 0.00 0.00 179.01 177.03 1ueq s ASP 114 N -2.78 4.40 0.20 1.04 1.01 -1.26 -4.99 116.67 114.30 1ueq s ASP 114 Ca -0.03 -2.74 0.09 0.00 0.71 0.00 0.00 52.55 50.58 1ueq s ASP 114 Cb 0.00 -1.60 0.08 0.00 1.01 0.00 0.00 42.92 42.42 1ueq s ASP 114 CO 0.10 -0.28 1.45 1.55 0.21 0.00 0.00 175.17 178.21 1ueq h PRO 115 N 6.84 0.00 0.00 8.23 0.13 -1.82 -3.44 132.00 141.94 1ueq h PRO 115 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1ueq h PRO 115 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1ueq h PRO 115 CO 0.63 0.80 0.00 0.00 -0.23 0.00 0.00 178.00 179.20 1ueq n ALA 116 N -2.38 0.00 -1.05 -0.56 0.00 -1.26 -4.92 120.51 110.35 1ueq n ALA 116 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.52 1ueq n ALA 116 Cb 0.78 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.18 1ueq n ALA 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ueq n ASN 117 N -2.92 -5.68 -5.01 0.00 3.02 -1.26 -5.03 115.26 98.38 1ueq n ASN 117 Ca 0.00 1.13 -0.18 0.00 -0.03 0.00 0.00 54.58 55.50 1ueq n ASN 117 Cb 0.00 -3.46 0.02 0.00 -0.61 0.00 0.00 39.78 35.72 1ueq n ASN 117 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ueq s SER 118 N -5.84 5.52 0.00 6.41 0.15 -1.26 -5.13 113.70 113.55 1ueq s SER 118 Ca 0.00 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1ueq s SER 118 Cb 0.00 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 1ueq s SER 118 CO 0.00 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.20 1ueq n GLY 119 N -1.90 0.56 3.77 9.45 0.00 -1.26 -4.99 105.19 110.82 1ueq n GLY 119 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 0.63 4.17 0.34 1.61 0.04 -1.26 -5.02 135.00 135.50 1ueq s PRO 120 Ca 0.00 2.07 -0.17 0.00 0.04 0.00 0.00 61.00 62.94 1ueq s PRO 120 Cb 0.00 -2.87 0.06 0.00 0.04 0.00 0.00 34.50 31.73 1ueq s PRO 120 CO 0.00 -0.29 0.85 -1.12 0.04 0.00 0.00 177.00 176.48 1ueq s SER 121 N -0.77 0.01 0.24 6.66 0.01 -1.26 -5.21 113.70 113.39 1ueq s SER 121 Ca 0.53 -1.04 -0.14 0.00 1.31 0.00 0.00 55.95 56.61 1ueq s SER 121 Cb -0.36 0.77 -0.00 0.00 0.21 0.00 0.00 66.02 66.64 1ueq s SER 121 CO 0.47 -1.53 0.50 -0.55 0.41 0.00 0.00 173.24 172.54 1ueq s SER 122 N -3.16 -0.11 0.00 2.44 0.15 -1.26 -5.28 113.70 106.48 1ueq s SER 122 Ca 0.17 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.95 1ueq s SER 122 Cb -0.05 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1ueq s SER 122 CO 0.10 -1.15 0.00 0.61 1.20 0.00 0.00 173.24 174.00