#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 2.55 0.89 1.61 0.01 -1.26 -5.11 113.70 112.39 1ueq s SER 2 Ca 0.00 -1.75 0.00 0.00 1.31 0.00 0.00 55.95 55.51 1ueq s SER 2 Cb 0.00 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.83 1ueq s SER 2 CO 0.00 -1.02 0.00 -0.24 0.41 0.00 0.00 173.24 172.39 1ueq n SER 3 N -1.50 -3.73 -4.07 2.44 2.88 -1.26 -4.90 113.62 103.47 1ueq n SER 3 Ca -0.02 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.40 1ueq n SER 3 Cb 0.64 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.99 1ueq n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ueq s GLY 4 N -4.27 0.53 0.04 0.46 0.00 -1.26 -5.17 107.32 97.65 1ueq s GLY 4 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1ueq s GLY 4 CO 0.00 -0.94 -0.04 -0.56 0.00 0.00 0.00 173.10 171.57 1ueq s SER 5 N -1.88 0.44 0.12 1.64 0.01 -1.26 -5.18 113.70 107.60 1ueq s SER 5 Ca -0.06 -0.68 0.04 0.00 1.31 0.00 0.00 55.95 56.56 1ueq s SER 5 Cb -0.07 0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.24 1ueq s SER 5 CO -0.01 -0.38 -0.09 -0.44 0.41 0.00 0.00 173.24 172.73 1ueq s SER 6 N -1.97 1.56 -1.00 2.44 0.01 -1.26 -4.75 113.70 108.72 1ueq s SER 6 Ca -0.07 -0.97 -0.14 0.00 1.31 0.00 0.00 55.95 56.08 1ueq s SER 6 Cb -0.04 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.21 1ueq s SER 6 CO -0.04 -0.35 0.72 0.61 0.41 0.00 0.00 173.24 174.59 1ueq n GLY 7 N -0.01 -1.10 2.74 3.44 0.00 -1.26 -5.02 105.19 103.98 1ueq n GLY 7 Ca -0.12 0.48 -0.18 0.00 0.00 0.00 0.00 46.02 46.20 1ueq n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ueq s LEU 8 N -5.80 -0.14 0.99 0.99 0.20 -1.26 -5.16 118.68 108.50 1ueq s LEU 8 Ca 0.28 -0.59 -0.13 0.00 0.69 0.00 0.00 54.13 54.37 1ueq s LEU 8 Cb -0.11 0.41 0.09 0.00 -0.43 0.00 0.00 46.19 46.15 1ueq s LEU 8 CO 0.87 -0.37 0.54 0.33 -0.29 0.00 0.00 176.35 177.43 1ueq n PHE 9 N 5.31 -0.96 0.00 5.38 -0.00 -1.26 -5.06 117.46 120.88 1ueq n PHE 9 Ca -0.04 0.22 0.00 0.00 -0.00 0.00 0.00 57.45 57.63 1ueq n PHE 9 Cb 0.47 -1.78 0.00 0.00 -0.00 0.00 0.00 39.48 38.17 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 -4.00 0.00 0.00 -2.13 -1.04 -1.26 -5.04 114.28 100.81 1ueq n THR 10 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1ueq n THR 10 Cb 0.55 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 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 -0.35 -2.82 1.74 -1.26 -4.95 116.66 109.02 1ueq n ARG 11 Ca 0.00 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.15 1ueq n ARG 11 Cb 0.00 0.00 0.12 0.00 -1.02 0.00 0.00 32.46 31.56 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 1.68 0.00 0.55 2.03 -1.26 -4.97 116.55 114.58 1ueq n ASP 12 Ca 0.00 -2.95 0.00 0.00 0.52 0.00 0.00 54.79 52.36 1ueq n ASP 12 Cb 0.00 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 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 -0.97 0.00 0.15 -1.67 0.00 -1.26 -4.80 120.51 111.96 1ueq n ALA 13 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.61 1ueq n ALA 13 Cb 0.69 -0.38 0.46 0.00 0.00 0.00 0.00 19.45 20.23 1ueq n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ueq h SER 14 N 0.00 0.17 0.77 0.00 0.87 -1.96 -1.90 113.55 111.50 1ueq h SER 14 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1ueq h SER 14 Cb 0.00 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1ueq h SER 14 CO 0.00 0.26 0.00 0.00 -0.53 0.00 0.00 176.83 176.56 1ueq n GLN 15 N -4.36 0.09 -2.24 2.24 1.13 -1.26 -4.87 117.38 108.11 1ueq n GLN 15 Ca -0.01 0.25 -0.38 0.00 -1.94 0.00 0.00 57.00 54.93 1ueq n GLN 15 Cb 0.20 -1.65 -0.01 0.00 0.11 0.00 0.00 30.24 28.89 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 -3.62 4.06 -0.01 1.08 1.43 -0.72 -5.04 118.68 115.87 1ueq s LEU 16 Ca 0.08 2.35 -0.10 0.00 -1.03 0.00 0.00 54.13 55.43 1ueq s LEU 16 Cb 0.11 -4.17 -0.05 0.00 0.03 0.00 0.00 46.19 42.12 1ueq s LEU 16 CO 0.39 -0.87 0.31 -0.54 0.23 0.00 0.00 176.35 175.86 1ueq s LYS 17 N -2.58 3.68 0.00 1.70 -0.14 -1.26 -5.04 119.74 116.11 1ueq s LYS 17 Ca 0.62 0.10 0.00 0.00 -1.36 0.00 0.00 55.97 55.33 1ueq s LYS 17 Cb -0.30 -3.13 0.00 0.00 -1.68 0.00 0.00 37.83 32.72 1ueq s LYS 17 CO 0.37 0.67 0.00 0.41 -0.76 0.00 0.00 175.35 176.04 1ueq n GLY 18 N 1.46 0.77 3.55 -3.33 0.00 -1.26 -4.59 105.19 101.80 1ueq n GLY 18 Ca -0.13 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.71 4.31 0.09 2.61 2.01 -0.71 -4.87 115.64 117.37 1ueq s THR 19 Ca 0.00 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.50 1ueq s THR 19 Cb 0.00 -2.92 -0.05 0.00 0.01 0.00 0.00 72.50 69.53 1ueq s THR 19 CO 0.00 0.47 0.96 -0.36 -0.69 0.00 0.00 174.62 174.99 1ueq s PHE 20 N 0.48 3.78 0.28 4.92 0.40 -1.26 -0.78 117.98 125.80 1ueq s PHE 20 Ca -0.00 1.77 -0.03 0.00 -0.60 0.00 0.00 56.93 58.07 1ueq s PHE 20 Cb -0.13 -3.06 -0.02 0.00 0.51 0.00 0.00 43.02 40.32 1ueq s PHE 20 CO 0.02 0.18 0.35 -0.51 0.70 0.00 0.00 175.22 175.95 1ueq s LEU 21 N 0.16 1.03 0.15 -0.37 1.02 -0.64 -5.00 118.68 115.04 1ueq s LEU 21 Ca 0.47 -1.39 -0.13 0.00 0.02 0.00 0.00 54.13 53.11 1ueq s LEU 21 Cb -0.23 1.07 0.01 0.00 0.02 0.00 0.00 46.19 47.07 1ueq s LEU 21 CO 0.29 -1.10 0.36 -0.94 0.02 0.00 0.00 176.35 174.99 1ueq s SER 22 N -3.19 -0.09 0.10 2.29 1.04 -1.26 -1.40 113.70 111.19 1ueq s SER 22 Ca 0.33 -0.61 -0.18 0.00 0.48 0.00 0.00 55.95 55.96 1ueq s SER 22 Cb 0.02 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.65 1ueq s SER 22 CO 0.17 -0.91 0.44 0.28 0.98 0.00 0.00 173.24 174.20 1ueq s THR 23 N -3.89 0.05 -0.23 2.02 -1.32 -0.63 -4.97 115.64 106.68 1ueq s THR 23 Ca 0.10 -0.45 -0.02 0.00 -1.21 0.00 0.00 61.69 60.11 1ueq s THR 23 Cb 0.02 -1.08 0.01 0.00 -1.51 0.00 0.00 72.50 69.95 1ueq s THR 23 CO -0.05 -0.25 -0.08 -0.89 -2.21 0.00 0.00 174.62 171.14 1ueq s THR 24 N -3.30 2.91 -0.12 5.08 2.01 -1.26 -0.63 115.64 120.33 1ueq s THR 24 Ca -0.00 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 61.10 1ueq s THR 24 Cb 0.01 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 1ueq s THR 24 CO -0.08 0.34 0.16 -0.76 -0.69 0.00 0.00 174.62 173.58 1ueq s LEU 25 N 1.38 4.37 -0.11 4.42 1.43 -1.14 -4.96 118.68 124.06 1ueq s LEU 25 Ca 0.03 0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 53.41 1ueq s LEU 25 Cb -0.15 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1ueq s LEU 25 CO -0.06 0.37 0.52 -0.75 0.23 0.00 0.00 176.35 176.66 1ueq s LYS 26 N -0.82 4.35 -0.42 1.70 2.20 -1.26 -2.81 119.74 122.68 1ueq s LYS 26 Ca 0.15 0.52 -0.27 0.00 -0.36 0.00 0.00 55.97 56.00 1ueq s LYS 26 Cb -0.12 -3.44 -0.07 0.00 -1.51 0.00 0.00 37.83 32.69 1ueq s LYS 26 CO 0.04 0.13 2.36 1.17 -0.36 0.00 0.00 175.35 178.69 1ueq n LYS 27 N 3.73 1.30 -4.37 4.03 3.00 0.49 -4.91 118.16 121.43 1ueq n LYS 27 Ca -0.06 0.17 -0.19 0.00 -0.00 0.00 0.00 58.31 58.24 1ueq n LYS 27 Cb 0.52 -3.29 -0.10 0.00 0.00 0.00 0.00 35.03 32.16 1ueq n LYS 27 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ueq s SER 28 N 10.74 2.11 0.00 3.14 0.15 -1.06 -1.40 113.70 127.39 1ueq s SER 28 Ca 1.01 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1ueq s SER 28 Cb -0.29 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.98 1ueq s SER 28 CO 0.31 -0.48 0.00 -3.20 1.20 0.00 0.00 173.24 171.07 1ueq n ASN 29 N -0.49 0.00 0.00 5.45 2.85 -1.26 -1.49 115.26 120.32 1ueq n ASN 29 Ca -0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1ueq n ASN 29 Cb 0.64 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.66 1ueq n ASN 29 CO 0.00 0.00 0.00 1.15 -2.11 0.00 0.00 177.26 176.30 1ueq n MET 30 N 0.00 0.00 0.00 1.20 0.00 -1.26 -5.13 117.12 111.93 1ueq n MET 30 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 57.70 57.44 1ueq n MET 30 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 33.22 32.79 1ueq n MET 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ueq n GLY 31 N 0.00 0.27 3.36 3.17 0.00 -0.56 -5.10 105.19 106.33 1ueq n GLY 31 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 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 2.32 -0.13 1.61 0.08 -1.26 -2.55 117.98 118.05 1ueq s PHE 32 Ca 0.00 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.65 1ueq s PHE 32 Cb 0.00 -1.35 0.12 0.00 -0.57 0.00 0.00 43.02 41.22 1ueq s PHE 32 CO 0.00 0.19 1.71 0.41 -0.10 0.00 0.00 175.22 177.43 1ueq n GLY 33 N 1.52 3.00 3.48 4.36 0.00 -1.26 -4.81 105.19 111.48 1ueq n GLY 33 Ca -0.17 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.83 0.50 0.10 1.61 -0.71 -1.26 -0.99 117.98 116.40 1ueq s PHE 34 Ca 0.14 -0.84 0.04 0.00 -1.04 0.00 0.00 56.93 55.24 1ueq s PHE 34 Cb 0.11 0.02 -0.03 0.00 -1.21 0.00 0.00 43.02 41.91 1ueq s PHE 34 CO 0.01 -0.88 -0.12 0.95 -1.34 0.00 0.00 175.22 173.84 1ueq s THR 35 N -4.03 1.06 0.28 -4.49 -4.23 0.53 -4.88 115.64 99.89 1ueq s THR 35 Ca 0.24 -1.60 0.11 0.00 -1.18 0.00 0.00 61.69 59.27 1ueq s THR 35 Cb 0.01 -1.34 -0.05 0.00 1.34 0.00 0.00 72.50 72.46 1ueq s THR 35 CO 0.08 -0.47 -0.13 -0.63 -0.54 0.00 0.00 174.62 172.94 1ueq s ILE 36 N -2.16 2.75 0.25 2.99 1.09 -1.26 -0.25 121.20 124.61 1ueq s ILE 36 Ca 0.05 -2.23 0.08 0.00 -1.10 0.00 0.00 60.65 57.44 1ueq s ILE 36 Cb -0.05 -2.50 -0.05 0.00 -1.06 0.00 0.00 42.46 38.80 1ueq s ILE 36 CO 0.01 -0.37 -0.12 -0.51 -0.10 0.00 0.00 174.94 173.86 1ueq s ILE 37 N -2.46 1.80 0.08 2.92 2.07 -0.71 -4.46 121.20 120.43 1ueq s ILE 37 Ca 0.31 -2.20 0.05 0.00 -1.41 0.00 0.00 60.65 57.40 1ueq s ILE 37 Cb -0.05 -2.25 -0.03 0.00 0.13 0.00 0.00 42.46 40.26 1ueq s ILE 37 CO 0.17 -0.44 -0.14 -0.83 -1.91 0.00 0.00 174.94 171.78 1ueq s GLY 38 N -3.40 0.88 -0.02 1.50 0.00 -1.26 -3.74 107.32 101.28 1ueq s GLY 38 Ca 0.26 -1.03 -0.12 0.00 0.00 0.00 0.00 44.72 43.83 1ueq s GLY 38 CO 0.10 -1.07 0.65 -1.33 0.00 0.00 0.00 173.10 171.45 1ueq h GLY 39 N 4.19 -0.46 0.00 0.20 0.00 -1.86 -3.49 103.07 101.65 1ueq h GLY 39 Ca -0.40 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1ueq h GLY 39 CO 0.42 -0.17 0.00 1.34 0.00 0.00 0.00 176.54 178.13 1ueq n ASP 40 N -4.19 0.00 -4.92 0.19 -0.08 -1.26 -5.09 116.55 101.20 1ueq n ASP 40 Ca -0.05 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 52.97 1ueq n ASP 40 Cb 0.17 0.00 -0.00 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 0.00 3.44 -0.24 -0.67 0.41 -1.26 -4.98 118.70 115.41 1ueq s GLU 41 Ca 0.00 -0.03 -0.05 0.00 -0.41 0.00 0.00 54.97 54.48 1ueq s GLU 41 Cb 0.00 -2.47 -0.19 0.00 -1.78 0.00 0.00 34.13 29.69 1ueq s GLU 41 CO 0.00 -0.14 2.92 -0.35 -0.49 0.00 0.00 175.26 177.20 1ueq n PRO 42 N -2.13 1.85 0.00 0.39 -0.04 -1.26 -2.55 135.00 131.25 1ueq n PRO 42 Ca -0.01 -0.99 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 1ueq n PRO 42 Cb 0.56 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 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 2.83 0.00 -4.88 3.54 2.03 -1.26 -4.90 116.55 113.91 1ueq n ASP 43 Ca 0.40 -0.67 -0.27 0.00 0.52 0.00 0.00 54.79 54.77 1ueq n ASP 43 Cb 0.63 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.99 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 3.20 0.11 -0.67 0.41 -1.06 -5.03 118.70 115.65 1ueq s GLU 44 Ca 0.00 -0.70 -0.25 0.00 -0.41 0.00 0.00 54.97 53.61 1ueq s GLU 44 Cb 0.00 -2.83 -0.07 0.00 -1.78 0.00 0.00 34.13 29.45 1ueq s GLU 44 CO 0.00 0.51 0.76 -0.06 -0.49 0.00 0.00 175.26 175.99 1ueq s PHE 45 N -1.72 3.82 -0.38 1.61 0.08 -1.26 -4.67 117.98 115.47 1ueq s PHE 45 Ca 0.33 1.55 -0.18 0.00 0.12 0.00 0.00 56.93 58.75 1ueq s PHE 45 Cb -0.11 -2.78 0.00 0.00 -0.57 0.00 0.00 43.02 39.56 1ueq s PHE 45 CO 0.26 0.40 0.48 -0.51 -0.10 0.00 0.00 175.22 175.76 1ueq s LEU 46 N -0.63 4.51 0.19 -0.37 1.43 -1.26 -4.29 118.68 118.26 1ueq s LEU 46 Ca 0.37 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 1ueq s LEU 46 Cb -0.22 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 1ueq s LEU 46 CO 0.24 -0.52 0.30 -1.10 0.23 0.00 0.00 176.35 175.50 1ueq s GLN 47 N 2.32 3.37 -0.09 1.70 -0.21 -1.25 -0.56 119.66 124.95 1ueq s GLN 47 Ca 0.16 -0.71 -0.29 0.00 0.02 0.00 0.00 55.36 54.54 1ueq s GLN 47 Cb -0.16 -2.89 -0.07 0.00 1.00 0.00 0.00 33.01 30.89 1ueq s GLN 47 CO 0.14 0.47 2.04 0.08 -2.12 0.00 0.00 175.29 175.90 1ueq s VAL 48 N -1.86 3.08 0.07 1.09 1.01 -0.31 -1.74 120.40 121.74 1ueq s VAL 48 Ca 0.34 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 1ueq s VAL 48 Cb -0.10 -3.08 -0.18 0.00 0.00 0.00 0.00 36.38 33.02 1ueq s VAL 48 CO 0.28 -0.03 1.60 0.50 0.00 0.00 0.00 175.10 177.45 1ueq h LYS 49 N 12.40 -0.65 -2.46 2.72 3.64 -0.84 -3.36 116.57 128.02 1ueq h LYS 49 Ca -0.45 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 58.93 1ueq h LYS 49 Cb 1.23 0.15 -0.16 0.00 -0.41 0.00 0.00 32.23 33.04 1ueq h LYS 49 CO 0.95 -0.41 0.18 -1.12 -2.27 0.00 0.00 179.45 176.79 1ueq s SER 50 N -4.63 -0.61 0.05 4.20 0.01 -1.18 -4.82 113.70 106.72 1ueq s SER 50 Ca -0.16 0.39 -0.28 0.00 1.31 0.00 0.00 55.95 57.21 1ueq s SER 50 Cb 0.04 0.56 -0.05 0.00 0.21 0.00 0.00 66.02 66.78 1ueq s SER 50 CO 0.62 -0.76 0.88 -0.69 0.41 0.00 0.00 173.24 173.70 1ueq s VAL 51 N -2.29 4.69 0.15 3.43 1.01 -1.26 -0.34 120.40 125.78 1ueq s VAL 51 Ca -0.06 1.88 -0.30 0.00 0.00 0.00 0.00 61.98 63.50 1ueq s VAL 51 Cb -0.00 -4.23 -0.07 0.00 0.00 0.00 0.00 36.38 32.08 1ueq s VAL 51 CO 0.00 0.30 1.05 -0.63 0.00 0.00 0.00 175.10 175.81 1ueq s ILE 52 N 0.25 4.13 0.52 2.22 1.09 -0.16 -4.95 121.20 124.29 1ueq s ILE 52 Ca 0.44 1.79 -0.21 0.00 -1.10 0.00 0.00 60.65 61.58 1ueq s ILE 52 Cb -0.21 -4.15 -0.06 0.00 -1.06 0.00 0.00 42.46 36.98 1ueq s ILE 52 CO 0.26 0.29 1.23 -2.16 -0.10 0.00 0.00 174.94 174.46 1ueq s PRO 53 N -0.17 3.37 -1.61 2.79 0.04 -1.26 -3.65 135.00 134.51 1ueq s PRO 53 Ca 0.49 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1ueq s PRO 53 Cb -0.27 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1ueq s PRO 53 CO 0.33 -0.91 0.00 -3.47 0.04 0.00 0.00 177.00 172.99 1ueq n ASP 54 N -0.96 -4.95 -4.90 6.66 2.03 -1.26 -5.00 116.55 108.17 1ueq n ASP 54 Ca 0.10 0.23 -0.25 0.00 0.52 0.00 0.00 54.79 55.39 1ueq n ASP 54 Cb 0.48 -3.96 -0.01 0.00 -0.72 0.00 0.00 41.12 36.90 1ueq n ASP 54 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1ueq s GLY 55 N -2.58 2.29 0.12 0.27 0.00 -1.24 -4.95 107.32 101.23 1ueq s GLY 55 Ca 0.00 -1.48 0.22 0.00 0.00 0.00 0.00 44.72 43.46 1ueq s GLY 55 CO 0.00 -1.88 1.68 -1.55 0.00 0.00 0.00 173.10 171.34 1ueq n PRO 56 N -1.72 0.11 -0.05 2.90 -0.04 -1.26 -0.72 135.00 134.22 1ueq n PRO 56 Ca 0.00 0.26 -0.13 0.00 -0.04 0.00 0.00 63.50 63.60 1ueq n PRO 56 Cb 0.64 -1.68 -0.11 0.00 -0.04 0.00 0.00 33.50 32.31 1ueq n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ueq h ALA 57 N 2.51 -0.01 0.21 0.55 0.00 -1.90 -2.92 119.26 117.69 1ueq h ALA 57 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1ueq h ALA 57 Cb 0.41 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1ueq h ALA 57 CO 0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 179.25 178.90 1ueq h ALA 58 N 0.06 -0.52 0.00 0.00 0.00 -1.60 -2.39 119.26 114.80 1ueq h ALA 58 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ueq h ALA 58 Cb 0.81 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ueq h ALA 58 CO 0.00 -0.83 0.00 1.96 0.00 0.00 0.00 179.25 180.38 1ueq h GLN 59 N -0.53 0.00 -0.27 0.00 4.20 -1.09 -0.23 115.11 117.19 1ueq h GLN 59 Ca 0.01 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 1ueq h GLN 59 Cb 0.51 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 1ueq h GLN 59 CO -0.09 0.00 -0.51 0.22 -0.67 0.00 0.00 178.83 177.77 1ueq h ASP 60 N 0.00 0.85 0.00 1.46 3.58 -1.24 -3.48 116.42 117.59 1ueq h ASP 60 Ca 0.00 -0.44 0.00 0.00 0.42 0.00 0.00 57.03 57.01 1ueq h ASP 60 Cb 0.34 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1ueq h ASP 60 CO 0.00 1.21 0.00 0.61 -2.88 0.00 0.00 179.24 178.18 1ueq n GLY 61 N 0.27 2.68 0.02 -0.78 0.00 -0.10 -4.92 105.19 102.36 1ueq n GLY 61 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.18 0.17 -3.37 1.61 4.01 -1.26 -4.81 118.16 114.32 1ueq n LYS 62 Ca 0.00 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.45 1ueq n LYS 62 Cb 0.00 -1.56 -0.06 0.00 -0.51 0.00 0.00 35.03 32.90 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 -3.11 3.97 0.35 1.97 1.75 -1.26 -4.97 119.30 118.00 1ueq s MET 63 Ca 0.06 0.47 0.06 0.00 -1.25 0.00 0.00 55.69 55.04 1ueq s MET 63 Cb 0.15 -2.94 -0.03 0.00 2.84 0.00 0.00 34.83 34.85 1ueq s MET 63 CO 0.78 0.49 0.23 -1.21 -0.65 0.00 0.00 175.02 174.66 1ueq s GLU 64 N -1.94 1.81 0.16 4.11 2.02 -1.26 -4.85 118.70 118.75 1ueq s GLU 64 Ca 0.37 -2.07 -0.07 0.00 0.02 0.00 0.00 54.97 53.22 1ueq s GLU 64 Cb -0.15 0.05 -0.06 0.00 0.10 0.00 0.00 34.13 34.07 1ueq s GLU 64 CO 0.19 -0.61 0.43 0.99 0.02 0.00 0.00 175.26 176.29 1ueq s THR 65 N -3.38 5.09 -0.11 3.63 2.01 -1.26 -4.32 115.64 117.29 1ueq s THR 65 Ca 0.35 0.22 -0.00 0.00 0.31 0.00 0.00 61.69 62.57 1ueq s THR 65 Cb 0.02 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 68.91 1ueq s THR 65 CO 0.24 0.04 0.09 0.61 -0.69 0.00 0.00 174.62 174.91 1ueq n GLY 66 N 0.12 0.40 3.16 4.40 0.00 -1.26 -5.01 105.19 107.01 1ueq n GLY 66 Ca -0.02 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.12 1.23 -0.27 1.61 1.01 -1.26 -3.96 116.67 111.91 1ueq s ASP 67 Ca 0.00 -0.88 -0.03 0.00 0.71 0.00 0.00 52.55 52.36 1ueq s ASP 67 Cb -0.00 0.05 0.03 0.00 1.01 0.00 0.00 42.92 44.01 1ueq s ASP 67 CO 0.07 -0.36 -0.01 -0.69 0.21 0.00 0.00 175.17 174.39 1ueq s VAL 68 N -2.91 3.16 -0.08 -1.27 1.01 -1.02 -1.16 120.40 118.13 1ueq s VAL 68 Ca 0.07 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 1ueq s VAL 68 Cb 0.00 -2.65 -0.07 0.00 0.00 0.00 0.00 36.38 33.66 1ueq s VAL 68 CO -0.02 0.11 2.08 -0.63 0.00 0.00 0.00 175.10 176.64 1ueq s ILE 69 N 1.35 3.02 -0.21 2.22 1.09 0.28 -2.25 121.20 126.70 1ueq s ILE 69 Ca -0.00 0.02 -0.14 0.00 -1.10 0.00 0.00 60.65 59.43 1ueq s ILE 69 Cb -0.17 -3.02 -0.08 0.00 -1.06 0.00 0.00 42.46 38.12 1ueq s ILE 69 CO -0.02 -0.01 -0.32 0.52 -0.10 0.00 0.00 174.94 175.01 1ueq n VAL 70 N 6.57 1.42 -4.12 2.92 0.31 -0.78 -4.51 118.33 120.14 1ueq n VAL 70 Ca 0.24 -0.12 -0.13 0.00 -0.01 0.00 0.00 64.34 64.33 1ueq n VAL 70 Cb 0.43 -2.04 -0.11 0.00 -0.91 0.00 0.00 33.84 31.21 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 -2.62 0.84 -0.04 3.52 2.02 -1.20 -2.16 117.35 117.70 1ueq s TYR 71 Ca -0.31 -0.66 0.01 0.00 -0.37 0.00 0.00 57.07 55.73 1ueq s TYR 71 Cb 0.09 -0.48 0.02 0.00 -0.40 0.00 0.00 41.96 41.19 1ueq s TYR 71 CO 0.42 -0.08 -0.03 0.42 -1.57 0.00 0.00 175.55 174.70 1ueq s ILE 72 N -2.30 0.47 0.00 2.71 1.01 -0.86 -2.29 121.20 119.93 1ueq s ILE 72 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1ueq s ILE 72 Cb -0.04 -0.51 0.00 0.00 0.01 0.00 0.00 42.46 41.92 1ueq s ILE 72 CO -0.01 0.21 0.00 -3.20 0.00 0.00 0.00 174.94 171.94 1ueq n ASN 73 N 4.11 0.00 -1.15 3.58 5.15 0.30 -1.07 115.26 126.18 1ueq n ASN 73 Ca -0.24 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 53.78 1ueq n ASN 73 Cb 0.51 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.82 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 0.38 -4.82 1.20 4.07 -1.26 -4.68 120.64 115.52 1ueq n GLU 74 Ca 0.00 -2.18 -0.26 0.00 -0.06 0.00 0.00 57.16 54.66 1ueq n GLU 74 Cb 0.00 -0.45 -0.16 0.00 -0.06 0.00 0.00 31.44 30.77 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 -0.77 1.43 -0.57 6.31 1.01 -0.23 -5.10 120.40 122.47 1ueq s VAL 75 Ca 0.31 -0.69 -0.28 0.00 0.00 0.00 0.00 61.98 61.31 1ueq s VAL 75 Cb 0.34 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 35.50 1ueq s VAL 75 CO -0.12 0.41 1.18 0.00 0.00 0.00 0.00 175.10 176.57 1ueq n VAL 77 N 6.66 0.52 -0.02 0.00 0.24 -0.92 -4.77 118.33 120.05 1ueq n VAL 77 Ca 0.08 -0.76 0.15 0.00 -2.04 0.00 0.00 64.34 61.77 1ueq n VAL 77 Cb 0.49 0.88 0.58 0.00 -1.47 0.00 0.00 33.84 34.32 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 2.61 0.20 -3.02 1.34 8.10 -1.75 -0.14 115.31 122.66 1ueq h LEU 78 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.00 1ueq h LEU 78 Cb 0.69 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.87 1ueq h LEU 78 CO 0.00 0.12 0.00 0.61 -4.11 0.00 0.00 178.44 175.06 1ueq n GLY 79 N -1.56 3.73 3.74 0.17 0.00 -1.26 -4.43 105.19 105.56 1ueq n GLY 79 Ca 0.09 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.86 2.37 0.41 1.61 3.76 -0.07 -4.33 115.29 117.18 1ueq s HIS 80 Ca 0.20 1.47 -0.24 0.00 -0.15 0.00 0.00 55.06 56.34 1ueq s HIS 80 Cb 0.16 -3.11 -0.08 0.00 1.11 0.00 0.00 32.58 30.65 1ueq s HIS 80 CO 0.05 -2.14 1.09 0.95 -0.85 0.00 0.00 174.74 173.84 1ueq s THR 81 N -2.88 3.49 0.27 1.30 -4.23 -1.26 -4.79 115.64 107.54 1ueq s THR 81 Ca 0.63 1.15 -0.01 0.00 -1.18 0.00 0.00 61.69 62.28 1ueq s THR 81 Cb -0.18 -3.60 0.25 0.00 1.34 0.00 0.00 72.50 70.31 1ueq s THR 81 CO 0.57 0.01 1.79 -0.74 -0.54 0.00 0.00 174.62 175.71 1ueq h HIS 82 N 2.40 0.89 -0.33 3.99 2.76 -1.93 -0.47 115.15 122.46 1ueq h HIS 82 Ca -0.49 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 57.81 1ueq h HIS 82 Cb 1.23 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 1ueq h HIS 82 CO 0.56 0.28 0.24 0.00 -1.30 0.00 0.00 177.93 177.71 1ueq h ALA 83 N 1.53 2.28 0.02 5.26 0.00 -1.98 0.25 119.26 126.62 1ueq h ALA 83 Ca 0.46 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 1ueq h ALA 83 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ueq h ALA 83 CO -0.31 -0.37 -0.01 0.22 0.00 0.00 0.00 179.25 178.78 1ueq h ASP 84 N 0.03 -0.03 -0.98 0.00 3.58 -1.49 -3.09 116.42 114.45 1ueq h ASP 84 Ca 0.16 -0.57 0.09 0.00 0.42 0.00 0.00 57.03 57.12 1ueq h ASP 84 Cb 0.59 0.01 -0.07 0.00 1.72 0.00 0.00 39.33 41.57 1ueq h ASP 84 CO -0.01 0.74 0.63 0.58 -2.88 0.00 0.00 179.24 178.30 1ueq h VAL 85 N -0.97 1.00 -0.73 2.25 2.07 -1.05 0.29 116.25 119.10 1ueq h VAL 85 Ca -0.00 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1ueq h VAL 85 Cb 0.60 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1ueq h VAL 85 CO 0.01 0.19 0.35 0.58 0.02 0.00 0.00 177.57 178.72 1ueq h VAL 86 N 1.04 1.23 -0.37 2.57 2.07 -0.65 -0.45 116.25 121.69 1ueq h VAL 86 Ca 0.45 -0.65 -0.11 0.00 0.82 0.00 0.00 66.70 67.21 1ueq h VAL 86 Cb 0.34 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1ueq h VAL 86 CO -0.21 0.28 -0.23 0.07 0.02 0.00 0.00 177.57 177.50 1ueq h LYS 87 N 1.04 0.75 -0.64 1.57 2.10 -0.43 -0.45 116.57 120.50 1ueq h LYS 87 Ca 0.25 -0.30 -0.08 0.00 -2.00 0.00 0.00 60.65 58.52 1ueq h LYS 87 Cb 0.10 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.37 1ueq h LYS 87 CO -0.03 0.91 0.09 -0.07 -2.00 0.00 0.00 179.45 178.34 1ueq h LEU 88 N 0.65 1.02 -0.21 7.07 3.38 -0.42 0.19 115.31 126.99 1ueq h LEU 88 Ca 0.09 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1ueq h LEU 88 Cb 0.73 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ueq h LEU 88 CO 0.06 1.02 -0.16 -0.26 0.09 0.00 0.00 178.44 179.18 1ueq h PHE 89 N 0.99 0.57 0.00 1.13 0.04 -0.96 -3.24 116.94 115.48 1ueq h PHE 89 Ca 0.19 -0.16 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 1ueq h PHE 89 Cb 0.45 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.47 1ueq h PHE 89 CO 0.03 0.81 -0.10 1.96 -0.60 0.00 0.00 178.31 180.41 1ueq h GLN 90 N 0.17 0.00 -0.18 1.51 4.20 -0.57 -2.88 115.11 117.35 1ueq h GLN 90 Ca 0.04 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.80 1ueq h GLN 90 Cb 0.69 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1ueq h GLN 90 CO 0.04 0.10 0.21 0.66 -0.67 0.00 0.00 178.83 179.17 1ueq h SER 91 N 0.00 0.00 -3.59 1.46 4.64 -0.99 -3.42 113.55 111.65 1ueq h SER 91 Ca -0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 1ueq h SER 91 Cb 0.18 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.17 1ueq h SER 91 CO 0.01 0.00 0.67 -0.69 -0.87 0.00 0.00 176.83 175.95 1ueq s VAL 92 N -4.63 4.38 1.06 0.95 1.01 -1.09 -5.02 120.40 117.06 1ueq s VAL 92 Ca -0.05 0.78 -0.13 0.00 0.00 0.00 0.00 61.98 62.58 1ueq s VAL 92 Cb 0.15 -4.50 0.22 0.00 0.00 0.00 0.00 36.38 32.26 1ueq s VAL 92 CO 0.55 -0.94 1.08 -2.16 0.00 0.00 0.00 175.10 173.63 1ueq s PRO 93 N 3.98 -0.07 0.48 2.72 0.05 -1.26 -4.98 135.00 135.92 1ueq s PRO 93 Ca 0.38 0.54 -0.24 0.00 0.05 0.00 0.00 61.00 61.73 1ueq s PRO 93 Cb -0.10 -1.68 -0.07 0.00 0.05 0.00 0.00 34.50 32.71 1ueq s PRO 93 CO 0.26 -3.07 1.33 0.42 0.05 0.00 0.00 177.00 175.99 1ueq s ILE 94 N -2.84 2.36 0.00 0.56 1.01 -1.26 -3.11 121.20 117.92 1ueq s ILE 94 Ca 0.66 0.30 0.00 0.00 0.00 0.00 0.00 60.65 61.61 1ueq s ILE 94 Cb -0.20 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.11 1ueq s ILE 94 CO 0.59 0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.16 1ueq n GLY 95 N 0.63 1.51 3.96 6.18 0.00 -0.50 -4.98 105.19 112.00 1ueq n GLY 95 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.10 1.46 0.20 1.61 -1.52 -1.18 -4.82 119.66 115.31 1ueq s GLN 96 Ca 0.00 -0.68 0.05 0.00 -1.95 0.00 0.00 55.36 52.77 1ueq s GLN 96 Cb 0.00 -2.14 -0.05 0.00 -0.22 0.00 0.00 33.01 30.60 1ueq s GLN 96 CO 0.00 -1.71 -0.06 -1.54 -0.25 0.00 0.00 175.29 171.73 1ueq s SER 97 N -4.73 1.96 0.03 5.90 1.04 -1.26 -0.38 113.70 116.26 1ueq s SER 97 Ca 0.67 -1.12 0.01 0.00 0.48 0.00 0.00 55.95 56.00 1ueq s SER 97 Cb -0.06 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.01 1ueq s SER 97 CO 0.47 -0.39 -0.05 0.68 0.98 0.00 0.00 173.24 174.92 1ueq s VAL 98 N -3.31 0.32 0.55 5.02 -7.23 -1.12 -4.99 120.40 109.64 1ueq s VAL 98 Ca 0.23 -1.03 -0.09 0.00 -1.81 0.00 0.00 61.98 59.29 1ueq s VAL 98 Cb 0.04 -0.47 -0.04 0.00 0.56 0.00 0.00 36.38 36.46 1ueq s VAL 98 CO 0.05 -0.46 0.92 0.20 -0.31 0.00 0.00 175.10 175.50 1ueq s ASN 99 N -1.57 6.28 -0.05 4.85 -0.87 -1.26 -2.87 114.94 119.44 1ueq s ASN 99 Ca -0.12 1.22 -0.08 0.00 -1.57 0.00 0.00 52.86 52.31 1ueq s ASN 99 Cb -0.09 -2.38 0.02 0.00 -0.02 0.00 0.00 41.25 38.77 1ueq s ASN 99 CO -0.01 -0.72 0.20 -0.76 -2.57 0.00 0.00 177.10 173.25 1ueq s LEU 100 N -4.87 1.26 -0.11 0.60 1.43 0.20 -0.54 118.68 116.64 1ueq s LEU 100 Ca 0.52 0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.87 1ueq s LEU 100 Cb -0.11 0.77 -0.00 0.00 0.03 0.00 0.00 46.19 46.88 1ueq s LEU 100 CO 0.48 -0.19 -0.22 -0.69 0.23 0.00 0.00 176.35 175.96 1ueq s VAL 101 N -0.45 2.26 0.42 -1.59 1.01 -0.97 -1.61 120.40 119.48 1ueq s VAL 101 Ca -0.05 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.04 1ueq s VAL 101 Cb -0.04 -1.88 -0.06 0.00 0.00 0.00 0.00 36.38 34.40 1ueq s VAL 101 CO 0.01 0.55 0.05 -0.76 0.00 0.00 0.00 175.10 174.96 1ueq s LEU 102 N 0.36 2.86 -0.10 3.92 1.43 -0.49 -1.87 118.68 124.78 1ueq s LEU 102 Ca -0.17 -1.34 -0.01 0.00 -1.03 0.00 0.00 54.13 51.59 1ueq s LEU 102 Cb -0.18 -1.00 0.03 0.00 0.03 0.00 0.00 46.19 45.07 1ueq s LEU 102 CO 0.08 -0.53 -0.06 0.00 0.23 0.00 0.00 176.35 176.07 1ueq s ARG 104 N 1.77 4.04 0.00 0.00 3.52 0.04 -2.43 118.95 125.90 1ueq s ARG 104 Ca 0.05 0.56 0.00 0.00 -0.13 0.00 0.00 55.73 56.21 1ueq s ARG 104 Cb -0.13 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 1ueq s ARG 104 CO -0.07 0.63 0.00 0.41 -0.81 0.00 0.00 175.30 175.46 1ueq n GLY 105 N 1.58 3.73 3.66 8.12 0.00 -1.25 -1.73 105.19 119.30 1ueq n GLY 105 Ca -0.11 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.05 1.36 1.22 1.61 2.02 -1.26 -4.99 117.35 117.27 1ueq s TYR 106 Ca 0.00 -0.39 -0.19 0.00 -0.37 0.00 0.00 57.07 56.12 1ueq s TYR 106 Cb 0.00 -4.21 0.29 0.00 -0.40 0.00 0.00 41.96 37.64 1ueq s TYR 106 CO 0.00 -5.40 1.08 -1.25 -1.57 0.00 0.00 175.55 168.40 1ueq s PRO 107 N 4.39 -1.39 0.63 -1.71 0.04 -1.26 -4.34 135.00 131.35 1ueq s PRO 107 Ca 0.87 0.04 -0.17 0.00 0.04 0.00 0.00 61.00 61.77 1ueq s PRO 107 Cb -0.42 -1.57 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 1ueq s PRO 107 CO 0.40 -3.85 1.18 -0.51 0.04 0.00 0.00 177.00 174.26 1ueq s LEU 108 N -7.07 3.56 -0.12 -3.56 1.43 -1.26 -4.89 118.68 106.76 1ueq s LEU 108 Ca 0.70 2.28 -0.28 0.00 -1.03 0.00 0.00 54.13 55.79 1ueq s LEU 108 Cb -0.11 -4.59 -0.26 0.00 0.03 0.00 0.00 46.19 41.26 1ueq s LEU 108 CO 0.57 -1.68 0.83 1.55 0.23 0.00 0.00 176.35 177.85 1ueq h PRO 109 N 0.54 0.02 -6.05 1.29 0.13 -1.98 -3.40 132.00 122.54 1ueq h PRO 109 Ca -0.49 -0.02 -0.58 0.00 -0.87 0.00 0.00 66.00 64.03 1ueq h PRO 109 Cb 1.28 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.35 1ueq h PRO 109 CO 0.54 0.96 0.73 0.12 -0.23 0.00 0.00 178.00 180.12 1ueq s PHE 110 N -2.43 3.30 -0.18 1.56 5.36 -1.26 -5.05 117.98 119.27 1ueq s PHE 110 Ca -0.18 1.33 -0.07 0.00 -0.96 0.00 0.00 56.93 57.04 1ueq s PHE 110 Cb -0.02 -3.30 -0.04 0.00 -0.34 0.00 0.00 43.02 39.32 1ueq s PHE 110 CO 0.70 -0.52 0.06 -0.51 -1.46 0.00 0.00 175.22 173.49 1ueq s ASP 111 N 1.32 5.62 0.16 6.13 1.01 -1.26 -5.01 116.67 124.64 1ueq s ASP 111 Ca 0.42 0.09 0.22 0.00 0.71 0.00 0.00 52.55 53.99 1ueq s ASP 111 Cb -0.15 -1.95 0.88 0.00 1.01 0.00 0.00 42.92 42.72 1ueq s ASP 111 CO 0.08 0.19 1.67 -0.81 0.21 0.00 0.00 175.17 176.51 1ueq n PRO 112 N 3.43 0.13 0.01 8.23 -0.04 -1.26 -2.29 135.00 143.21 1ueq n PRO 112 Ca -0.17 0.31 -0.18 0.00 -0.04 0.00 0.00 63.50 63.43 1ueq n PRO 112 Cb 0.52 -1.73 -0.11 0.00 -0.04 0.00 0.00 33.50 32.14 1ueq n PRO 112 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ueq h GLU 113 N 0.00 0.41 -1.33 0.54 5.08 -2.03 -3.42 114.58 113.83 1ueq h GLU 113 Ca 0.00 -0.46 -0.35 0.00 -1.00 0.00 0.00 59.36 57.55 1ueq h GLU 113 Cb 0.40 0.14 -0.25 0.00 0.50 0.00 0.00 28.75 29.53 1ueq h GLU 113 CO 0.00 1.13 -0.72 -0.40 -1.00 0.00 0.00 179.01 178.02 1ueq n ASP 114 N -4.19 -1.98 0.13 1.42 5.75 -1.22 -4.96 116.55 111.50 1ueq n ASP 114 Ca -0.11 -2.81 0.12 0.00 -0.01 0.00 0.00 54.79 51.98 1ueq n ASP 114 Cb 0.70 0.77 0.49 0.00 -1.03 0.00 0.00 41.12 42.04 1ueq n ASP 114 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1ueq n PRO 115 N 2.43 0.18 0.00 0.11 -0.04 -0.97 -4.81 135.00 131.90 1ueq n PRO 115 Ca 0.20 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 1ueq n PRO 115 Cb 0.55 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 1ueq n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ueq n ALA 116 N -1.76 0.00 0.00 0.55 0.00 -1.26 -4.99 120.51 113.05 1ueq n ALA 116 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1ueq n ALA 116 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.03 0.00 2.04 -1.26 -5.15 115.26 109.86 1ueq n ASN 117 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1ueq n ASN 117 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1ueq n ASN 117 CO 0.00 0.00 0.00 -0.24 -0.44 0.00 0.00 177.26 176.58 1ueq n SER 118 N 0.00 -6.08 0.00 0.53 2.88 -1.26 -5.02 113.62 104.67 1ueq n SER 118 Ca 0.00 0.76 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 1ueq n SER 118 Cb 0.00 -2.44 0.00 0.00 -0.75 0.00 0.00 64.21 61.02 1ueq n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ueq n GLY 119 N -0.16 -0.69 3.78 0.46 0.00 -1.26 -5.11 105.19 102.20 1ueq n GLY 119 Ca 0.00 0.49 -0.35 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 3.52 0.35 1.61 0.04 -1.26 -5.07 135.00 134.19 1ueq s PRO 120 Ca 0.00 1.57 -0.13 0.00 0.04 0.00 0.00 61.00 62.48 1ueq s PRO 120 Cb 0.00 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.49 1ueq s PRO 120 CO 0.00 -0.70 0.67 0.45 0.04 0.00 0.00 177.00 177.45 1ueq s SER 121 N -1.77 0.21 -0.10 6.66 0.15 -1.26 -5.15 113.70 112.43 1ueq s SER 121 Ca 0.70 -1.15 -0.08 0.00 0.70 0.00 0.00 55.95 56.12 1ueq s SER 121 Cb -0.23 0.76 0.03 0.00 -1.71 0.00 0.00 66.02 64.88 1ueq s SER 121 CO 0.26 -1.49 0.26 -0.55 1.20 0.00 0.00 173.24 172.92 1ueq s SER 122 N -3.09 -0.28 0.00 5.45 0.15 -1.26 -5.30 113.70 109.36 1ueq s SER 122 Ca 0.20 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1ueq s SER 122 Cb -0.04 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1ueq s SER 122 CO 0.13 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.06