#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 1.55 0.01 1.61 1.04 -1.26 -5.07 113.70 111.58 1ueq s SER 2 Ca 0.00 1.69 0.06 0.00 0.48 0.00 0.00 55.95 58.18 1ueq s SER 2 Cb 0.00 -2.37 -0.02 0.00 0.10 0.00 0.00 66.02 63.73 1ueq s SER 2 CO 0.00 -3.88 -0.17 -0.94 0.98 0.00 0.00 173.24 169.23 1ueq s SER 3 N -2.59 2.01 -0.10 7.02 1.04 -1.26 -5.14 113.70 114.68 1ueq s SER 3 Ca 0.68 -0.38 -0.30 0.00 0.48 0.00 0.00 55.95 56.43 1ueq s SER 3 Cb -0.24 -0.19 0.09 0.00 0.10 0.00 0.00 66.02 65.78 1ueq s SER 3 CO 0.63 0.16 0.80 -0.83 0.98 0.00 0.00 173.24 174.98 1ueq s GLY 4 N -0.70 -0.46 0.40 7.32 0.00 -1.26 -5.19 107.32 107.43 1ueq s GLY 4 Ca 0.06 1.63 0.04 0.00 0.00 0.00 0.00 44.72 46.44 1ueq s GLY 4 CO 0.00 1.04 0.11 -1.35 0.00 0.00 0.00 173.10 172.90 1ueq s SER 5 N -1.06 2.75 0.00 1.64 1.04 -1.26 -5.12 113.70 111.69 1ueq s SER 5 Ca -0.07 -1.62 0.00 0.00 0.48 0.00 0.00 55.95 54.74 1ueq s SER 5 Cb -0.00 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1ueq s SER 5 CO 0.06 -0.87 0.00 -0.24 0.98 0.00 0.00 173.24 173.17 1ueq n SER 6 N -1.19 0.00 -4.63 7.02 2.88 -1.26 -5.04 113.62 111.41 1ueq n SER 6 Ca -0.06 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.05 1ueq n SER 6 Cb 0.65 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.09 1ueq n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ueq s GLY 7 N -0.83 1.05 -0.42 0.46 0.00 -1.26 -4.90 107.32 101.42 1ueq s GLY 7 Ca 0.00 0.71 0.05 0.00 0.00 0.00 0.00 44.72 45.48 1ueq s GLY 7 CO 0.00 3.33 0.43 -0.10 0.00 0.00 0.00 173.10 176.75 1ueq n LEU 8 N 9.23 -0.76 -4.70 0.66 -0.00 -1.26 -5.13 117.00 115.04 1ueq n LEU 8 Ca 0.22 -4.25 -0.33 0.00 -0.00 0.00 0.00 56.01 51.66 1ueq n LEU 8 Cb 0.44 0.60 0.13 0.00 -0.00 0.00 0.00 43.42 44.59 1ueq n LEU 8 CO 0.66 1.91 0.74 0.12 -0.00 0.00 0.00 177.39 180.82 1ueq s PHE 9 N -0.06 1.85 0.00 1.96 2.19 -1.26 -5.06 117.98 117.60 1ueq s PHE 9 Ca 0.33 1.69 0.00 0.00 0.33 0.00 0.00 56.93 59.28 1ueq s PHE 9 Cb 0.06 -3.41 0.00 0.00 -1.31 0.00 0.00 43.02 38.36 1ueq s PHE 9 CO -0.17 -2.71 0.00 2.41 1.83 0.00 0.00 175.22 176.58 1ueq n THR 10 N -3.47 0.00 0.00 0.12 -1.04 -1.26 -5.08 114.28 103.55 1ueq n THR 10 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1ueq n THR 10 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 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 -0.27 -2.82 1.74 -1.26 -4.93 116.66 109.11 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 0.17 0.00 -1.02 0.00 0.00 32.46 31.61 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 2.36 0.00 0.55 2.03 -1.26 -4.93 116.55 115.30 1ueq n ASP 12 Ca 0.00 -3.32 0.00 0.00 0.52 0.00 0.00 54.79 51.99 1ueq n ASP 12 Cb 0.00 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 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 -1.25 0.00 0.27 -1.67 0.00 -1.26 -4.70 120.51 111.90 1ueq n ALA 13 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.71 1ueq n ALA 13 Cb 0.70 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.56 1ueq n ALA 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ueq n SER 14 N 0.20 0.42 0.27 0.00 7.64 -1.26 -0.62 113.62 120.27 1ueq n SER 14 Ca 0.00 0.64 0.15 0.00 1.01 0.00 0.00 58.87 60.68 1ueq n SER 14 Cb 0.00 -0.72 0.74 0.00 -1.01 0.00 0.00 64.21 63.22 1ueq n SER 14 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1ueq h GLN 15 N 0.00 0.00 -7.02 1.43 1.08 -1.92 -3.45 115.11 105.23 1ueq h GLN 15 Ca 0.00 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.75 1ueq h GLN 15 Cb 0.17 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1ueq h GLN 15 CO 0.00 0.08 0.34 -0.51 -0.95 0.00 0.00 178.83 177.79 1ueq s LEU 16 N -6.62 4.04 0.00 1.46 1.43 0.21 -4.99 118.68 114.21 1ueq s LEU 16 Ca -0.01 1.72 0.09 0.00 -1.03 0.00 0.00 54.13 54.90 1ueq s LEU 16 Cb 0.11 -4.41 0.06 0.00 0.03 0.00 0.00 46.19 41.98 1ueq s LEU 16 CO 0.55 -0.29 0.76 0.29 0.23 0.00 0.00 176.35 177.89 1ueq n LYS 17 N -0.35 0.33 -0.75 1.70 4.76 -1.26 -5.00 118.16 117.59 1ueq n LYS 17 Ca 0.06 -0.98 0.00 0.00 -2.87 0.00 0.00 58.31 54.52 1ueq n LYS 17 Cb 0.53 -1.16 0.00 0.00 -1.84 0.00 0.00 35.03 32.56 1ueq n LYS 17 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ueq n GLY 18 N 0.51 1.55 3.82 0.72 0.00 -1.26 -5.10 105.19 105.42 1ueq n GLY 18 Ca 0.05 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 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 0.89 4.02 -0.08 2.61 2.01 -1.00 -4.82 115.64 119.27 1ueq s THR 19 Ca 0.00 0.77 0.03 0.00 0.31 0.00 0.00 61.69 62.80 1ueq s THR 19 Cb 0.00 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 69.09 1ueq s THR 19 CO 0.00 -0.74 -0.16 -0.36 -0.69 0.00 0.00 174.62 172.66 1ueq s PHE 20 N -2.83 1.89 0.28 4.92 0.40 -1.26 -1.08 117.98 120.30 1ueq s PHE 20 Ca 0.60 -0.77 0.03 0.00 -0.60 0.00 0.00 56.93 56.19 1ueq s PHE 20 Cb -0.14 -1.33 -0.06 0.00 0.51 0.00 0.00 43.02 42.00 1ueq s PHE 20 CO 0.47 -0.36 0.05 -0.51 0.70 0.00 0.00 175.22 175.57 1ueq s LEU 21 N 0.63 2.05 0.29 -0.37 2.01 -0.44 -5.00 118.68 117.85 1ueq s LEU 21 Ca -0.14 -1.32 0.01 0.00 0.01 0.00 0.00 54.13 52.69 1ueq s LEU 21 Cb -0.16 -0.24 -0.02 0.00 0.01 0.00 0.00 46.19 45.77 1ueq s LEU 21 CO 0.04 -0.60 0.30 -0.94 1.01 0.00 0.00 176.35 176.16 1ueq s SER 22 N -3.38 0.93 0.09 2.29 1.04 -1.26 -1.27 113.70 112.14 1ueq s SER 22 Ca 0.34 -1.53 -0.19 0.00 0.48 0.00 0.00 55.95 55.05 1ueq s SER 22 Cb 0.07 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.78 1ueq s SER 22 CO 0.13 -1.07 0.47 0.28 0.98 0.00 0.00 173.24 174.02 1ueq s THR 23 N -3.58 0.05 -0.27 2.02 -1.32 -0.44 -4.93 115.64 107.16 1ueq s THR 23 Ca 0.36 -0.38 0.01 0.00 -1.21 0.00 0.00 61.69 60.47 1ueq s THR 23 Cb 0.03 -1.04 0.08 0.00 -1.51 0.00 0.00 72.50 70.05 1ueq s THR 23 CO 0.20 -0.21 0.02 -0.89 -2.21 0.00 0.00 174.62 171.53 1ueq s THR 24 N -3.09 1.40 -0.11 5.08 2.01 -1.26 -0.39 115.64 119.29 1ueq s THR 24 Ca -0.02 -1.43 -0.11 0.00 0.31 0.00 0.00 61.69 60.45 1ueq s THR 24 Cb 0.00 -1.86 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 1ueq s THR 24 CO -0.07 -0.36 0.25 -0.76 -0.69 0.00 0.00 174.62 172.98 1ueq s LEU 25 N 1.40 4.36 -0.19 4.42 1.43 -1.07 -4.92 118.68 124.12 1ueq s LEU 25 Ca 0.02 0.58 -0.22 0.00 -1.03 0.00 0.00 54.13 53.48 1ueq s LEU 25 Cb -0.18 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 1ueq s LEU 25 CO -0.12 0.28 0.70 -0.75 0.23 0.00 0.00 176.35 176.70 1ueq s LYS 26 N -0.51 4.24 -0.04 1.70 2.20 -1.26 -2.69 119.74 123.38 1ueq s LYS 26 Ca 0.17 0.76 -0.37 0.00 -0.36 0.00 0.00 55.97 56.17 1ueq s LYS 26 Cb -0.13 -3.58 -0.15 0.00 -1.51 0.00 0.00 37.83 32.46 1ueq s LYS 26 CO 0.06 -0.28 1.62 1.17 -0.36 0.00 0.00 175.35 177.56 1ueq n LYS 27 N 5.14 1.57 -1.25 4.03 3.00 0.31 -4.94 118.16 126.02 1ueq n LYS 27 Ca 0.01 0.57 -0.09 0.00 -0.00 0.00 0.00 58.31 58.80 1ueq n LYS 27 Cb 0.49 -2.30 0.05 0.00 0.00 0.00 0.00 35.03 33.28 1ueq n LYS 27 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ueq n SER 28 N 4.40 0.43 0.26 3.14 2.88 -0.05 -4.45 113.62 120.23 1ueq n SER 28 Ca 0.21 -1.39 -0.16 0.00 -1.33 0.00 0.00 58.87 56.20 1ueq n SER 28 Cb 0.21 -0.28 -0.08 0.00 -0.75 0.00 0.00 64.21 63.32 1ueq n SER 28 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1ueq h ASN 29 N -0.31 -0.54 0.00 -3.46 -0.73 -2.02 -0.97 115.58 107.56 1ueq h ASN 29 Ca -0.13 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.06 1ueq h ASN 29 Cb 0.47 0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.20 1ueq h ASN 29 CO 0.13 -0.38 0.00 0.23 -0.37 0.00 0.00 177.43 177.05 1ueq n MET 30 N -5.36 0.91 0.00 6.67 2.81 -1.26 -5.01 117.12 115.89 1ueq n MET 30 Ca -0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 1ueq n MET 30 Cb 0.26 -1.18 0.00 0.00 -0.71 0.00 0.00 33.22 31.59 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 0.27 0.26 3.85 3.03 0.00 -0.37 -4.90 105.19 107.33 1ueq n GLY 31 Ca 0.00 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 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 3.53 -0.24 1.61 0.08 -1.26 -0.87 117.98 120.83 1ueq s PHE 32 Ca 0.00 1.10 -0.02 0.00 0.12 0.00 0.00 56.93 58.14 1ueq s PHE 32 Cb 0.00 -2.42 0.10 0.00 -0.57 0.00 0.00 43.02 40.14 1ueq s PHE 32 CO 0.00 0.32 2.26 0.41 -0.10 0.00 0.00 175.22 178.11 1ueq n GLY 33 N 0.37 3.70 3.40 4.36 0.00 -1.26 -4.82 105.19 110.94 1ueq n GLY 33 Ca -0.02 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.17 0.43 0.18 1.61 -0.71 -1.26 -0.55 117.98 116.51 1ueq s PHE 34 Ca 0.31 -0.78 0.07 0.00 -1.04 0.00 0.00 56.93 55.49 1ueq s PHE 34 Cb 0.22 -0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.97 1ueq s PHE 34 CO -0.04 -0.80 -0.14 0.95 -1.34 0.00 0.00 175.22 173.85 1ueq s THR 35 N -3.99 1.64 0.26 -4.49 -4.23 -0.21 -4.90 115.64 99.71 1ueq s THR 35 Ca 0.20 -2.10 0.08 0.00 -1.18 0.00 0.00 61.69 58.69 1ueq s THR 35 Cb 0.02 -1.94 -0.05 0.00 1.34 0.00 0.00 72.50 71.87 1ueq s THR 35 CO 0.03 -0.56 -0.10 -0.63 -0.54 0.00 0.00 174.62 172.82 1ueq s ILE 36 N -2.81 1.82 0.07 2.99 1.09 -1.26 -0.29 121.20 122.81 1ueq s ILE 36 Ca 0.19 -2.19 -0.00 0.00 -1.10 0.00 0.00 60.65 57.55 1ueq s ILE 36 Cb -0.01 -2.32 -0.04 0.00 -1.06 0.00 0.00 42.46 39.03 1ueq s ILE 36 CO 0.06 -0.40 -0.04 -0.51 -0.10 0.00 0.00 174.94 173.95 1ueq s ILE 37 N -2.91 0.37 0.03 2.92 2.07 -1.02 -4.56 121.20 118.10 1ueq s ILE 37 Ca 0.28 -1.85 -0.01 0.00 -1.41 0.00 0.00 60.65 57.66 1ueq s ILE 37 Cb 0.01 -1.57 -0.03 0.00 0.13 0.00 0.00 42.46 41.01 1ueq s ILE 37 CO 0.11 -0.96 -0.02 -0.83 -1.91 0.00 0.00 174.94 171.33 1ueq s GLY 38 N -2.96 0.32 0.00 1.50 0.00 -1.26 -3.55 107.32 101.37 1ueq s GLY 38 Ca 0.08 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.98 1ueq s GLY 38 CO -0.08 -0.91 0.17 0.61 0.00 0.00 0.00 173.10 172.88 1ueq n GLY 39 N 0.98 -0.42 0.00 0.20 0.00 -1.26 -5.02 105.19 99.66 1ueq n GLY 39 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1ueq n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ueq n ASP 40 N -0.35 0.00 -4.30 1.61 -0.08 -1.26 -5.14 116.55 107.03 1ueq n ASP 40 Ca 0.00 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.06 1ueq n ASP 40 Cb 0.00 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.34 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 1.18 -0.05 -0.67 2.02 -1.26 -5.04 118.70 114.88 1ueq s GLU 41 Ca 0.00 -1.29 -0.01 0.00 0.02 0.00 0.00 54.97 53.69 1ueq s GLU 41 Cb 0.00 -1.29 -0.05 0.00 0.10 0.00 0.00 34.13 32.89 1ueq s GLU 41 CO 0.00 0.27 1.22 -2.30 0.02 0.00 0.00 175.26 174.48 1ueq n PRO 42 N 0.64 0.49 -0.17 0.39 -0.02 -1.26 -2.27 135.00 132.79 1ueq n PRO 42 Ca -0.16 -0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.01 1ueq n PRO 42 Cb 0.56 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 1ueq n PRO 42 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ueq n ASP 43 N 3.13 0.00 -4.82 2.55 5.68 -1.21 -4.51 116.55 117.38 1ueq n ASP 43 Ca 0.11 -1.03 -0.31 0.00 -0.50 0.00 0.00 54.79 53.06 1ueq n ASP 43 Cb 0.18 -0.01 0.05 0.00 -1.14 0.00 0.00 41.12 40.21 1ueq n ASP 43 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1ueq s GLU 44 N 0.00 2.84 -0.39 0.11 -1.05 -0.96 -4.84 118.70 114.41 1ueq s GLU 44 Ca 0.00 0.93 -0.19 0.00 -0.15 0.00 0.00 54.97 55.56 1ueq s GLU 44 Cb 0.00 -1.98 0.01 0.00 -0.44 0.00 0.00 34.13 31.72 1ueq s GLU 44 CO 0.00 -1.16 0.55 -0.06 0.95 0.00 0.00 175.26 175.54 1ueq s PHE 45 N -3.05 3.14 -0.41 4.83 0.08 -1.26 -4.37 117.98 116.93 1ueq s PHE 45 Ca 0.58 0.03 -0.28 0.00 0.12 0.00 0.00 56.93 57.38 1ueq s PHE 45 Cb -0.14 -3.07 0.02 0.00 -0.57 0.00 0.00 43.02 39.27 1ueq s PHE 45 CO 0.55 -0.67 1.05 -0.51 -0.10 0.00 0.00 175.22 175.54 1ueq s LEU 46 N 2.51 3.83 0.20 -0.37 1.43 -1.26 -4.68 118.68 120.33 1ueq s LEU 46 Ca 0.19 0.62 0.10 0.00 -1.03 0.00 0.00 54.13 54.02 1ueq s LEU 46 Cb -0.15 -3.45 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 1ueq s LEU 46 CO 0.15 -1.05 -0.17 -1.10 0.23 0.00 0.00 176.35 174.41 1ueq s GLN 47 N 3.95 1.76 -0.07 1.70 -0.21 -1.23 -0.75 119.66 124.81 1ueq s GLN 47 Ca 0.44 -1.45 -0.29 0.00 0.02 0.00 0.00 55.36 54.08 1ueq s GLN 47 Cb -0.10 -1.97 -0.07 0.00 1.00 0.00 0.00 33.01 31.88 1ueq s GLN 47 CO 0.24 0.41 2.01 0.08 -2.12 0.00 0.00 175.29 175.90 1ueq s VAL 48 N -1.78 3.09 0.02 1.09 1.01 0.66 -2.45 120.40 122.05 1ueq s VAL 48 Ca 0.23 0.11 -0.26 0.00 0.00 0.00 0.00 61.98 62.06 1ueq s VAL 48 Cb -0.08 -3.09 -0.17 0.00 0.00 0.00 0.00 36.38 33.05 1ueq s VAL 48 CO 0.13 -0.03 1.32 0.50 0.00 0.00 0.00 175.10 177.02 1ueq h LYS 49 N 12.04 -0.42 -3.29 2.72 3.64 -0.89 -2.55 116.57 127.82 1ueq h LYS 49 Ca -0.45 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 58.92 1ueq h LYS 49 Cb 1.23 0.10 -0.12 0.00 -0.41 0.00 0.00 32.23 33.02 1ueq h LYS 49 CO 0.95 -0.12 0.02 -1.12 -2.27 0.00 0.00 179.45 176.90 1ueq s SER 50 N -5.01 -0.31 0.01 4.20 0.01 -1.23 -4.64 113.70 106.73 1ueq s SER 50 Ca -0.15 -0.30 -0.14 0.00 1.31 0.00 0.00 55.95 56.67 1ueq s SER 50 Cb 0.03 0.53 -0.06 0.00 0.21 0.00 0.00 66.02 66.73 1ueq s SER 50 CO 0.57 -0.94 0.40 -0.69 0.41 0.00 0.00 173.24 172.99 1ueq s VAL 51 N -3.81 5.04 0.03 3.43 1.01 -1.26 -1.05 120.40 123.79 1ueq s VAL 51 Ca 0.04 0.79 -0.28 0.00 0.00 0.00 0.00 61.98 62.53 1ueq s VAL 51 Cb 0.00 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1ueq s VAL 51 CO -0.09 0.55 0.89 -0.63 0.00 0.00 0.00 175.10 175.81 1ueq s ILE 52 N -1.12 4.77 0.81 2.22 1.09 0.29 -4.94 121.20 124.33 1ueq s ILE 52 Ca 0.25 1.88 -0.11 0.00 -1.10 0.00 0.00 60.65 61.57 1ueq s ILE 52 Cb -0.16 -4.24 0.08 0.00 -1.06 0.00 0.00 42.46 37.08 1ueq s ILE 52 CO 0.14 0.26 1.10 -2.16 -0.10 0.00 0.00 174.94 174.17 1ueq s PRO 53 N 0.50 1.91 0.00 2.79 0.04 -1.26 -3.19 135.00 135.79 1ueq s PRO 53 Ca 0.46 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1ueq s PRO 53 Cb -0.21 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1ueq s PRO 53 CO 0.26 -1.90 0.00 -3.47 0.04 0.00 0.00 177.00 171.93 1ueq n ASP 54 N -3.70 0.00 -4.30 6.66 2.03 -1.26 -4.94 116.55 111.04 1ueq n ASP 54 Ca 0.09 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.11 1ueq n ASP 54 Cb 0.53 -0.67 0.20 0.00 -0.72 0.00 0.00 41.12 40.46 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 -1.17 1.58 0.35 0.27 0.00 -1.19 -4.69 107.32 102.47 1ueq s GLY 55 Ca 0.00 -0.68 0.08 0.00 0.00 0.00 0.00 44.72 44.12 1ueq s GLY 55 CO 0.00 0.05 1.82 -0.56 0.00 0.00 0.00 173.10 174.41 1ueq h PRO 56 N -2.14 0.22 -0.54 2.90 0.13 -1.87 -0.95 132.00 129.76 1ueq h PRO 56 Ca -0.50 -0.07 -0.11 0.00 -0.87 0.00 0.00 66.00 64.45 1ueq h PRO 56 Cb 1.31 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1ueq h PRO 56 CO 0.47 0.48 -0.08 0.00 -0.23 0.00 0.00 178.00 178.64 1ueq h ALA 57 N 1.53 0.74 -0.14 -0.56 0.00 -1.88 -0.55 119.26 118.39 1ueq h ALA 57 Ca 0.03 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1ueq h ALA 57 Cb 0.58 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ueq h ALA 57 CO 0.04 0.63 -0.15 0.00 0.00 0.00 0.00 179.25 179.77 1ueq h ALA 58 N 0.93 0.21 -0.63 0.00 0.00 -1.68 -3.16 119.26 114.92 1ueq h ALA 58 Ca 0.14 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1ueq h ALA 58 Cb 0.65 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ueq h ALA 58 CO 0.04 0.09 0.30 1.96 0.00 0.00 0.00 179.25 181.64 1ueq h GLN 59 N -0.03 0.91 0.00 0.00 4.20 -1.00 -1.00 115.11 118.18 1ueq h GLN 59 Ca 0.02 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1ueq h GLN 59 Cb 0.68 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1ueq h GLN 59 CO 0.04 0.73 0.00 -3.47 -0.67 0.00 0.00 178.83 175.46 1ueq n ASP 60 N -4.49 0.00 -2.40 1.46 2.03 -0.23 -4.88 116.55 108.03 1ueq n ASP 60 Ca 0.04 0.11 -0.19 0.00 0.52 0.00 0.00 54.79 55.27 1ueq n ASP 60 Cb 0.13 -0.30 -0.01 0.00 -0.72 0.00 0.00 41.12 40.22 1ueq n ASP 60 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ueq n GLY 61 N -0.03 -0.48 0.00 0.27 0.00 -0.38 -4.78 105.19 99.79 1ueq n GLY 61 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.97 -0.07 -4.65 1.61 5.02 -1.25 -5.03 118.16 110.81 1ueq n LYS 62 Ca -0.23 -0.09 -0.34 0.00 -2.02 0.00 0.00 58.31 55.64 1ueq n LYS 62 Cb 0.67 -0.56 -0.12 0.00 -0.02 0.00 0.00 35.03 35.01 1ueq n LYS 62 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1ueq s MET 63 N -0.02 2.93 0.22 1.97 1.75 -1.24 -4.64 119.30 120.28 1ueq s MET 63 Ca 0.00 -0.58 0.01 0.00 -1.25 0.00 0.00 55.69 53.87 1ueq s MET 63 Cb 0.00 -2.61 -0.05 0.00 2.84 0.00 0.00 34.83 35.01 1ueq s MET 63 CO 0.00 0.54 0.06 -1.21 -0.65 0.00 0.00 175.02 173.75 1ueq s GLU 64 N -0.47 1.28 0.66 4.11 2.02 -1.26 -4.70 118.70 120.34 1ueq s GLU 64 Ca 0.07 -1.67 -0.11 0.00 0.02 0.00 0.00 54.97 53.28 1ueq s GLU 64 Cb -0.12 -0.25 -0.02 0.00 0.10 0.00 0.00 34.13 33.84 1ueq s GLU 64 CO 0.02 -0.23 1.05 0.99 0.02 0.00 0.00 175.26 177.11 1ueq s THR 65 N -3.73 4.32 -1.03 3.63 2.01 -1.26 -4.34 115.64 115.24 1ueq s THR 65 Ca 0.32 0.77 -0.07 0.00 0.31 0.00 0.00 61.69 63.03 1ueq s THR 65 Cb 0.07 -3.60 0.01 0.00 0.01 0.00 0.00 72.50 68.98 1ueq s THR 65 CO 0.10 -0.97 0.88 0.61 -0.69 0.00 0.00 174.62 174.56 1ueq n GLY 66 N -2.26 -0.18 3.17 4.40 0.00 -0.96 -4.98 105.19 104.37 1ueq n GLY 66 Ca 0.07 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.23 1.51 -0.29 1.61 1.01 -1.26 -4.65 116.67 111.37 1ueq s ASP 67 Ca 0.44 -0.72 -0.10 0.00 0.71 0.00 0.00 52.55 52.89 1ueq s ASP 67 Cb -0.19 -0.02 -0.02 0.00 1.01 0.00 0.00 42.92 43.70 1ueq s ASP 67 CO 0.54 -0.18 0.15 -0.69 0.21 0.00 0.00 175.17 175.20 1ueq s VAL 68 N -1.90 4.74 0.31 -1.27 1.01 -0.80 -0.24 120.40 122.24 1ueq s VAL 68 Ca 0.01 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.49 1ueq s VAL 68 Cb -0.06 -3.33 -0.10 0.00 0.00 0.00 0.00 36.38 32.88 1ueq s VAL 68 CO 0.01 0.17 1.33 -0.63 0.00 0.00 0.00 175.10 175.98 1ueq s ILE 69 N 1.65 2.74 0.05 2.22 1.09 0.07 -0.98 121.20 128.05 1ueq s ILE 69 Ca 0.06 0.71 0.00 0.00 -1.10 0.00 0.00 60.65 60.32 1ueq s ILE 69 Cb -0.16 -3.45 0.00 0.00 -1.06 0.00 0.00 42.46 37.78 1ueq s ILE 69 CO 0.07 0.15 0.00 0.52 -0.10 0.00 0.00 174.94 175.58 1ueq n VAL 70 N 1.22 0.47 -4.12 2.92 0.31 -0.70 -4.58 118.33 113.85 1ueq n VAL 70 Ca 0.02 0.16 -0.16 0.00 -0.01 0.00 0.00 64.34 64.35 1ueq n VAL 70 Cb 0.42 -1.42 -0.12 0.00 -0.91 0.00 0.00 33.84 31.81 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 -2.00 0.94 -0.10 3.52 2.02 -1.25 -1.74 117.35 118.74 1ueq s TYR 71 Ca 0.00 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.25 1ueq s TYR 71 Cb 0.00 -0.54 0.01 0.00 -0.40 0.00 0.00 41.96 41.03 1ueq s TYR 71 CO 0.00 -0.01 -0.15 0.42 -1.57 0.00 0.00 175.55 174.23 1ueq s ILE 72 N -1.31 1.46 0.00 2.71 1.01 -0.61 -1.80 121.20 122.67 1ueq s ILE 72 Ca -0.06 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1ueq s ILE 72 Cb -0.10 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.04 1ueq s ILE 72 CO 0.01 0.43 0.00 0.59 0.00 0.00 0.00 174.94 175.98 1ueq n ASN 73 N 4.05 0.00 0.00 3.58 3.02 0.69 -0.96 115.26 125.64 1ueq n ASN 73 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 1ueq n ASN 73 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1ueq n ASN 73 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ueq n GLU 74 N 0.00 3.85 -3.16 3.52 1.02 -1.26 -4.72 120.64 119.89 1ueq n GLU 74 Ca 0.00 -0.10 -0.39 0.00 -0.02 0.00 0.00 57.16 56.65 1ueq n GLU 74 Cb 0.00 -0.53 -0.06 0.00 -0.02 0.00 0.00 31.44 30.83 1ueq n GLU 74 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ueq s VAL 75 N -0.58 4.61 0.03 2.62 1.01 -0.13 -5.05 120.40 122.91 1ueq s VAL 75 Ca 0.00 1.40 -0.30 0.00 0.00 0.00 0.00 61.98 63.07 1ueq s VAL 75 Cb 0.00 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1ueq s VAL 75 CO 0.00 0.54 1.07 0.00 0.00 0.00 0.00 175.10 176.71 1ueq n VAL 77 N 3.84 0.53 -0.30 0.00 0.24 -0.79 -4.95 118.33 116.90 1ueq n VAL 77 Ca 0.07 -0.54 0.09 0.00 -2.04 0.00 0.00 64.34 61.92 1ueq n VAL 77 Cb 0.49 0.71 0.25 0.00 -1.47 0.00 0.00 33.84 33.81 1ueq n VAL 77 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 1ueq h LEU 78 N 0.00 0.46 -3.60 1.34 8.10 -1.59 -0.84 115.31 119.18 1ueq h LEU 78 Ca 0.00 0.11 -0.41 0.00 0.11 0.00 0.00 57.88 57.69 1ueq h LEU 78 Cb 0.78 0.05 -0.27 0.00 -0.44 0.00 0.00 40.66 40.77 1ueq h LEU 78 CO 0.00 0.15 -0.33 0.61 -4.11 0.00 0.00 178.44 174.76 1ueq n GLY 79 N -1.33 5.79 0.00 0.17 0.00 -1.26 -4.24 105.19 104.32 1ueq n GLY 79 Ca 0.18 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1ueq n GLY 79 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ueq n HIS 80 N -0.90 0.00 -4.94 1.61 -0.00 -0.32 -3.36 115.22 107.31 1ueq n HIS 80 Ca 0.41 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 58.29 1ueq n HIS 80 Cb 0.91 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.63 1ueq n HIS 80 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 1ueq s THR 81 N 1.46 2.15 0.25 3.57 -1.32 -1.26 -3.31 115.64 117.18 1ueq s THR 81 Ca 0.00 -1.36 -0.03 0.00 -1.21 0.00 0.00 61.69 59.09 1ueq s THR 81 Cb 0.00 -1.83 0.23 0.00 -1.51 0.00 0.00 72.50 69.39 1ueq s THR 81 CO 0.00 0.39 1.79 -0.74 -2.21 0.00 0.00 174.62 173.84 1ueq h HIS 82 N 4.85 0.82 -0.00 9.09 2.76 -1.90 -1.63 115.15 129.14 1ueq h HIS 82 Ca -0.46 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 1ueq h HIS 82 Cb 1.14 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.86 1ueq h HIS 82 CO 0.47 0.27 0.00 0.00 -1.30 0.00 0.00 177.93 177.38 1ueq h ALA 83 N 1.50 1.93 0.00 5.26 0.00 -1.99 0.13 119.26 126.09 1ueq h ALA 83 Ca 0.43 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 1ueq h ALA 83 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ueq h ALA 83 CO -0.30 -0.00 -0.23 0.22 0.00 0.00 0.00 179.25 178.93 1ueq h ASP 84 N 0.00 0.00 -0.78 0.00 1.82 -1.75 -3.29 116.42 112.43 1ueq h ASP 84 Ca 0.00 -0.45 0.15 0.00 -0.39 0.00 0.00 57.03 56.35 1ueq h ASP 84 Cb 0.01 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 39.92 1ueq h ASP 84 CO -0.00 0.86 0.32 0.58 -1.61 0.00 0.00 179.24 179.38 1ueq h VAL 85 N -1.00 0.63 -0.26 2.25 2.07 -1.21 0.32 116.25 119.05 1ueq h VAL 85 Ca -0.05 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1ueq h VAL 85 Cb 0.62 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1ueq h VAL 85 CO -0.03 0.08 0.09 0.58 0.02 0.00 0.00 177.57 178.31 1ueq h VAL 86 N 0.45 1.11 -0.15 2.57 2.07 -0.92 -1.35 116.25 120.03 1ueq h VAL 86 Ca 0.44 -0.36 -0.14 0.00 0.82 0.00 0.00 66.70 67.46 1ueq h VAL 86 Cb 0.69 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1ueq h VAL 86 CO -0.42 0.13 -0.52 0.07 0.02 0.00 0.00 177.57 176.85 1ueq h LYS 87 N 0.36 0.43 -0.51 1.57 2.10 -0.47 -3.14 116.57 116.91 1ueq h LYS 87 Ca 0.09 -0.26 -0.05 0.00 -2.00 0.00 0.00 60.65 58.44 1ueq h LYS 87 Cb 0.10 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.43 1ueq h LYS 87 CO -0.01 0.84 0.13 -0.07 -2.00 0.00 0.00 179.45 178.35 1ueq h LEU 88 N 0.33 0.77 -2.41 7.07 3.38 -0.21 -1.69 115.31 122.55 1ueq h LEU 88 Ca 0.01 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1ueq h LEU 88 Cb 1.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1ueq h LEU 88 CO 0.09 0.80 0.00 -0.26 0.09 0.00 0.00 178.44 179.16 1ueq h PHE 89 N 0.70 0.00 0.00 1.13 0.04 -1.30 -1.47 116.94 116.05 1ueq h PHE 89 Ca 0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.93 1ueq h PHE 89 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1ueq h PHE 89 CO 0.02 0.00 -0.68 1.04 -0.60 0.00 0.00 178.31 178.09 1ueq n GLN 90 N -2.95 0.08 0.00 1.51 1.13 -0.66 -3.39 117.38 113.11 1ueq n GLN 90 Ca -0.02 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1ueq n GLN 90 Cb 0.12 -1.54 0.00 0.00 0.11 0.00 0.00 30.24 28.93 1ueq n GLN 90 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1ueq n SER 91 N -1.65 0.21 -4.15 1.08 7.64 -0.55 -4.53 113.62 111.67 1ueq n SER 91 Ca 0.04 -1.50 -0.38 0.00 1.01 0.00 0.00 58.87 58.04 1ueq n SER 91 Cb 0.36 -0.11 -0.09 0.00 -1.01 0.00 0.00 64.21 63.37 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 -1.72 3.98 0.24 0.44 1.01 -1.22 -5.08 120.40 118.05 1ueq s VAL 92 Ca 0.00 -2.59 -0.29 0.00 0.00 0.00 0.00 61.98 59.10 1ueq s VAL 92 Cb 0.00 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.70 1ueq s VAL 92 CO 0.00 -0.86 0.92 -2.16 0.00 0.00 0.00 175.10 173.00 1ueq s PRO 93 N 0.35 4.77 -0.01 2.72 0.04 -1.26 -4.83 135.00 136.77 1ueq s PRO 93 Ca 0.14 1.41 -0.36 0.00 0.04 0.00 0.00 61.00 62.23 1ueq s PRO 93 Cb -0.20 -3.19 -0.14 0.00 0.04 0.00 0.00 34.50 31.00 1ueq s PRO 93 CO -0.04 0.49 1.63 -0.89 0.04 0.00 0.00 177.00 178.23 1ueq n ILE 94 N 1.34 0.21 0.00 0.56 -0.00 -1.26 -1.95 119.36 118.26 1ueq n ILE 94 Ca -0.02 -0.04 0.00 0.00 -0.00 0.00 0.00 62.75 62.69 1ueq n ILE 94 Cb 0.48 -1.38 0.00 0.00 -0.00 0.00 0.00 39.64 38.73 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 3.61 1.99 3.99 7.39 0.00 -1.26 -5.13 105.19 115.78 1ueq n GLY 95 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.09 2.28 0.29 1.61 -1.52 -0.82 -4.89 119.66 116.52 1ueq s GLN 96 Ca 0.00 -1.08 0.05 0.00 -1.95 0.00 0.00 55.36 52.38 1ueq s GLN 96 Cb 0.00 -2.50 -0.06 0.00 -0.22 0.00 0.00 33.01 30.23 1ueq s GLN 96 CO 0.00 -0.90 0.00 -1.12 -0.25 0.00 0.00 175.29 173.02 1ueq s SER 97 N -4.55 2.39 0.06 5.90 0.01 -1.26 -0.53 113.70 115.72 1ueq s SER 97 Ca 0.60 -1.27 0.05 0.00 1.31 0.00 0.00 55.95 56.64 1ueq s SER 97 Cb -0.08 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.03 1ueq s SER 97 CO 0.39 -0.49 -0.13 0.68 0.41 0.00 0.00 173.24 174.10 1ueq s VAL 98 N -3.22 1.03 0.41 3.43 -7.23 -1.09 -4.95 120.40 108.77 1ueq s VAL 98 Ca 0.32 -1.19 -0.15 0.00 -1.81 0.00 0.00 61.98 59.15 1ueq s VAL 98 Cb 0.06 -0.98 -0.08 0.00 0.56 0.00 0.00 36.38 35.93 1ueq s VAL 98 CO 0.12 -0.19 0.85 0.20 -0.31 0.00 0.00 175.10 175.77 1ueq s ASN 99 N -1.55 6.70 -0.13 4.85 0.02 -1.26 -2.59 114.94 120.98 1ueq s ASN 99 Ca -0.02 1.39 -0.05 0.00 -1.02 0.00 0.00 52.86 53.16 1ueq s ASN 99 Cb -0.09 -2.42 0.06 0.00 0.02 0.00 0.00 41.25 38.82 1ueq s ASN 99 CO 0.02 -0.38 0.25 -0.76 0.02 0.00 0.00 177.10 176.25 1ueq s LEU 100 N -3.53 -0.28 -0.11 0.60 1.43 0.48 -0.22 118.68 117.05 1ueq s LEU 100 Ca 0.56 0.55 -0.20 0.00 -1.03 0.00 0.00 54.13 54.01 1ueq s LEU 100 Cb -0.10 0.65 -0.04 0.00 0.03 0.00 0.00 46.19 46.73 1ueq s LEU 100 CO 0.24 -0.24 0.57 -0.69 0.23 0.00 0.00 176.35 176.45 1ueq s VAL 101 N 2.41 5.12 0.21 -1.59 1.01 -0.74 -1.33 120.40 125.49 1ueq s VAL 101 Ca 0.02 1.14 0.08 0.00 0.00 0.00 0.00 61.98 63.22 1ueq s VAL 101 Cb -0.12 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1ueq s VAL 101 CO -0.08 0.28 -0.01 -0.76 0.00 0.00 0.00 175.10 174.52 1ueq s LEU 102 N 0.83 3.23 -0.13 3.92 1.43 -0.40 -1.72 118.68 125.84 1ueq s LEU 102 Ca 0.30 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1ueq s LEU 102 Cb -0.16 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 1ueq s LEU 102 CO 0.13 0.06 -0.16 0.00 0.23 0.00 0.00 176.35 176.60 1ueq s ARG 104 N 0.52 3.74 0.00 0.00 3.52 -0.24 -1.90 118.95 124.59 1ueq s ARG 104 Ca -0.10 0.53 0.00 0.00 -0.13 0.00 0.00 55.73 56.03 1ueq s ARG 104 Cb -0.16 -2.31 0.00 0.00 -1.56 0.00 0.00 34.95 30.92 1ueq s ARG 104 CO 0.04 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 174.77 1ueq n GLY 105 N -1.71 1.24 3.27 8.12 0.00 -1.26 -2.36 105.19 112.49 1ueq n GLY 105 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1ueq n GLY 105 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ueq s TYR 106 N -2.00 2.50 1.10 1.61 2.02 -1.26 -4.93 117.35 116.39 1ueq s TYR 106 Ca 0.00 -0.78 -0.19 0.00 -0.37 0.00 0.00 57.07 55.74 1ueq s TYR 106 Cb 0.00 -1.64 0.28 0.00 -0.40 0.00 0.00 41.96 40.20 1ueq s TYR 106 CO 0.00 -0.25 0.89 -0.35 -1.57 0.00 0.00 175.55 174.27 1ueq n PRO 107 N 3.09 -3.23 -1.32 -1.71 -0.04 -1.26 -4.64 135.00 125.89 1ueq n PRO 107 Ca -0.18 -1.44 -0.32 0.00 -0.04 0.00 0.00 63.50 61.52 1ueq n PRO 107 Cb 0.52 -1.46 0.09 0.00 -0.04 0.00 0.00 33.50 32.62 1ueq n PRO 107 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ueq s LEU 108 N 0.00 3.13 0.27 1.53 1.43 -1.26 -4.86 118.68 118.91 1ueq s LEU 108 Ca 0.60 1.99 0.14 0.00 -1.03 0.00 0.00 54.13 55.83 1ueq s LEU 108 Cb -0.07 -4.54 0.19 0.00 0.03 0.00 0.00 46.19 41.79 1ueq s LEU 108 CO 0.47 -2.13 1.50 1.55 0.23 0.00 0.00 176.35 177.96 1ueq h PRO 109 N -0.85 0.00 -6.67 1.29 0.13 -1.96 -3.43 132.00 120.51 1ueq h PRO 109 Ca -0.45 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.99 1ueq h PRO 109 Cb 1.25 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.11 1ueq h PRO 109 CO 0.50 0.60 -0.88 0.12 -0.23 0.00 0.00 178.00 178.11 1ueq s PHE 110 N -3.12 2.35 -0.39 1.56 5.36 -1.26 -5.13 117.98 117.35 1ueq s PHE 110 Ca 0.02 -0.40 0.01 0.00 -0.96 0.00 0.00 56.93 55.60 1ueq s PHE 110 Cb 0.09 -1.44 0.13 0.00 -0.34 0.00 0.00 43.02 41.46 1ueq s PHE 110 CO 0.75 0.08 0.19 -0.51 -1.46 0.00 0.00 175.22 174.27 1ueq s ASP 111 N -1.02 3.73 0.00 6.13 1.01 -1.26 -4.99 116.67 120.26 1ueq s ASP 111 Ca 0.11 -2.31 0.28 0.00 0.71 0.00 0.00 52.55 51.35 1ueq s ASP 111 Cb -0.10 -0.95 1.44 0.00 1.01 0.00 0.00 42.92 44.31 1ueq s ASP 111 CO 0.01 -0.31 1.97 -0.81 0.21 0.00 0.00 175.17 176.24 1ueq n PRO 112 N 3.96 0.43 0.01 8.23 -0.04 -1.26 -2.97 135.00 143.35 1ueq n PRO 112 Ca 0.06 0.02 -0.12 0.00 -0.04 0.00 0.00 63.50 63.41 1ueq n PRO 112 Cb 0.37 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.58 -2.64 0.54 3.07 -2.05 -3.41 114.58 110.67 1ueq h GLU 113 Ca 0.00 -0.45 -0.60 0.00 -0.50 0.00 0.00 59.36 57.81 1ueq h GLU 113 Cb 0.25 0.09 -0.40 0.00 -0.84 0.00 0.00 28.75 27.84 1ueq h GLU 113 CO 0.00 1.07 -0.76 -0.25 -1.40 0.00 0.00 179.01 177.68 1ueq n ASP 114 N -3.90 1.68 0.33 1.42 8.00 -1.16 -4.93 116.55 117.99 1ueq n ASP 114 Ca -0.05 -2.91 -0.13 0.00 0.71 0.00 0.00 54.79 52.40 1ueq n ASP 114 Cb 0.70 -0.67 -0.06 0.00 -0.02 0.00 0.00 41.12 41.07 1ueq n ASP 114 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1ueq h PRO 115 N 5.21 -0.82 0.00 -0.24 0.13 -1.81 -3.42 132.00 131.05 1ueq h PRO 115 Ca 0.19 0.06 -0.20 0.00 -0.87 0.00 0.00 66.00 65.18 1ueq h PRO 115 Cb 0.81 0.19 -0.14 0.00 0.13 0.00 0.00 31.00 31.98 1ueq h PRO 115 CO 0.59 -0.55 -0.28 0.00 -0.23 0.00 0.00 178.00 177.54 1ueq n ALA 116 N -2.45 -1.51 0.00 -0.56 0.00 -1.26 -5.01 120.51 109.72 1ueq n ALA 116 Ca -0.11 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.20 1ueq n ALA 116 Cb 0.34 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 0.40 -1.30 -3.09 0.00 5.03 -1.26 -5.06 115.26 109.97 1ueq n ASN 117 Ca 0.02 0.00 -0.18 0.00 0.87 0.00 0.00 54.58 55.29 1ueq n ASN 117 Cb 0.72 0.94 -0.04 0.00 -1.02 0.00 0.00 39.78 40.38 1ueq n ASN 117 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1ueq n SER 118 N -0.76 -1.27 -3.21 6.41 3.41 -1.26 -5.05 113.62 111.89 1ueq n SER 118 Ca 0.00 -2.75 -0.29 0.00 -0.26 0.00 0.00 58.87 55.57 1ueq n SER 118 Cb 0.00 0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 64.19 1ueq n SER 118 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ueq n GLY 119 N 2.17 5.44 3.79 5.00 0.00 -1.26 -5.06 105.19 115.26 1ueq n GLY 119 Ca 0.21 -2.76 -0.32 0.00 0.00 0.00 0.00 46.02 43.16 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 -3.26 2.72 0.27 1.61 0.04 -1.26 -5.08 135.00 130.03 1ueq s PRO 120 Ca 0.44 1.14 0.02 0.00 0.04 0.00 0.00 61.00 62.65 1ueq s PRO 120 Cb 0.22 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 1ueq s PRO 120 CO -0.09 -1.29 0.14 -1.12 0.04 0.00 0.00 177.00 174.69 1ueq s SER 121 N -3.30 1.14 0.01 6.66 0.01 -1.26 -5.18 113.70 111.79 1ueq s SER 121 Ca 0.61 -1.48 -0.01 0.00 1.31 0.00 0.00 55.95 56.39 1ueq s SER 121 Cb -0.17 0.33 -0.01 0.00 0.21 0.00 0.00 66.02 66.38 1ueq s SER 121 CO 0.50 -0.84 -0.01 -0.44 0.41 0.00 0.00 173.24 172.87 1ueq s SER 122 N -3.31 0.16 0.00 2.44 0.01 -1.26 -5.36 113.70 106.38 1ueq s SER 122 Ca 0.37 -0.34 0.27 0.00 1.31 0.00 0.00 55.95 57.56 1ueq s SER 122 Cb 0.06 0.09 0.90 0.00 0.21 0.00 0.00 66.02 67.29 1ueq s SER 122 CO 0.16 -0.23 1.66 0.61 0.41 0.00 0.00 173.24 175.85