#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 -0.15 -1.54 1.61 0.15 -1.26 -4.94 113.70 107.57 1ueq s SER 2 Ca 0.00 0.07 -0.10 0.00 0.70 0.00 0.00 55.95 56.63 1ueq s SER 2 Cb 0.00 0.32 0.08 0.00 -1.71 0.00 0.00 66.02 64.71 1ueq s SER 2 CO 0.00 -0.39 0.66 -1.20 1.20 0.00 0.00 173.24 173.51 1ueq n SER 3 N 1.52 -2.20 0.00 5.45 7.64 -1.26 -4.92 113.62 119.84 1ueq n SER 3 Ca -0.21 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 58.70 1ueq n SER 3 Cb 0.56 -3.09 0.00 0.00 -1.01 0.00 0.00 64.21 60.68 1ueq n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ueq n GLY 4 N -1.70 0.82 5.00 0.23 0.00 -1.26 -4.89 105.19 103.39 1ueq n GLY 4 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1ueq n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ueq n SER 5 N 0.00 0.00 -4.68 1.61 7.64 -1.26 -4.93 113.62 111.99 1ueq n SER 5 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.43 1ueq n SER 5 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1ueq n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ueq n SER 6 N 1.33 3.52 -1.20 6.43 3.41 -1.26 -4.51 113.62 121.34 1ueq n SER 6 Ca 0.00 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 1ueq n SER 6 Cb 0.00 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 62.48 1ueq n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ueq n GLY 7 N 3.88 -2.31 0.13 5.00 0.00 -1.26 -4.97 105.19 105.66 1ueq n GLY 7 Ca 0.18 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.89 1ueq n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ueq h LEU 8 N 0.00 0.00-10.33 0.99 4.07 -2.04 -3.45 115.31 104.55 1ueq h LEU 8 Ca 0.00 -0.01 -0.49 0.00 0.08 0.00 0.00 57.88 57.46 1ueq h LEU 8 Cb 0.00 0.00 0.14 0.00 1.08 0.00 0.00 40.66 41.88 1ueq h LEU 8 CO 0.00 0.00 0.28 0.12 -1.08 0.00 0.00 178.44 177.77 1ueq s PHE 9 N -3.13 2.46 0.00 1.13 5.36 -1.26 -5.08 117.98 117.47 1ueq s PHE 9 Ca 0.10 1.35 0.00 0.00 -0.96 0.00 0.00 56.93 57.41 1ueq s PHE 9 Cb 0.11 -3.11 0.00 0.00 -0.34 0.00 0.00 43.02 39.67 1ueq s PHE 9 CO 0.62 -2.13 0.00 2.41 -1.46 0.00 0.00 175.22 174.66 1ueq n THR 10 N -3.71 0.00 0.00 0.12 -1.04 -1.26 -5.04 114.28 103.35 1ueq n THR 10 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1ueq n THR 10 Cb 0.55 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 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 0.00 -2.82 1.74 -1.26 -4.90 116.66 109.42 1ueq n ARG 11 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ueq n ARG 11 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1ueq n ARG 11 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ueq n ASP 12 N 0.07 1.13 0.00 0.55 2.03 -1.26 -5.02 116.55 114.05 1ueq n ASP 12 Ca 0.00 -1.45 0.00 0.00 0.52 0.00 0.00 54.79 53.86 1ueq n ASP 12 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.22 0.00 0.46 -1.67 0.00 -1.26 -4.78 120.51 113.03 1ueq n ALA 13 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1ueq n ALA 13 Cb 0.24 -0.84 0.23 0.00 0.00 0.00 0.00 19.45 19.09 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 0.00 0.43 0.00 0.87 -1.98 -2.92 113.55 109.95 1ueq h SER 14 Ca 0.00 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.43 1ueq h SER 14 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1ueq h SER 14 CO 0.00 0.04 -0.29 1.56 -0.53 0.00 0.00 176.83 177.61 1ueq h GLN 15 N 0.00 0.00 -6.82 2.24 4.20 -1.98 -3.46 115.11 109.28 1ueq h GLN 15 Ca 0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 1ueq h GLN 15 Cb 0.83 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.67 1ueq h GLN 15 CO 0.00 0.29 0.67 -0.51 -0.67 0.00 0.00 178.83 178.61 1ueq s LEU 16 N -7.81 4.41 -0.20 1.46 1.43 -1.10 -4.97 118.68 111.90 1ueq s LEU 16 Ca -0.02 2.66 -0.06 0.00 -1.03 0.00 0.00 54.13 55.67 1ueq s LEU 16 Cb 0.14 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 1ueq s LEU 16 CO 0.68 -0.58 0.03 -0.54 0.23 0.00 0.00 176.35 176.17 1ueq s LYS 17 N -1.24 3.75 0.00 1.70 -0.14 -1.26 -4.97 119.74 117.59 1ueq s LYS 17 Ca 0.53 -0.45 0.00 0.00 -1.36 0.00 0.00 55.97 54.68 1ueq s LYS 17 Cb -0.40 -3.15 0.00 0.00 -1.68 0.00 0.00 37.83 32.60 1ueq s LYS 17 CO 0.49 0.09 0.00 0.41 -0.76 0.00 0.00 175.35 175.58 1ueq n GLY 18 N 4.04 -0.60 3.95 -3.33 0.00 -1.26 -4.65 105.19 103.33 1ueq n GLY 18 Ca -0.17 -1.58 -0.23 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.12 5.04 -0.10 2.61 2.01 -0.35 -4.87 115.64 117.86 1ueq s THR 19 Ca 0.00 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.47 1ueq s THR 19 Cb 0.00 -3.83 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 1ueq s THR 19 CO 0.00 -0.50 -0.21 -0.36 -0.69 0.00 0.00 174.62 172.86 1ueq s PHE 20 N -2.27 2.61 0.16 4.92 0.40 -1.26 -0.94 117.98 121.59 1ueq s PHE 20 Ca 0.40 -0.87 -0.15 0.00 -0.60 0.00 0.00 56.93 55.70 1ueq s PHE 20 Cb -0.09 -1.72 0.02 0.00 0.51 0.00 0.00 43.02 41.74 1ueq s PHE 20 CO 0.35 -0.32 0.43 -0.48 0.70 0.00 0.00 175.22 175.90 1ueq s LEU 21 N 0.23 0.37 0.05 -0.37 2.34 -1.07 -5.02 118.68 115.22 1ueq s LEU 21 Ca -0.14 -0.50 -0.06 0.00 0.06 0.00 0.00 54.13 53.49 1ueq s LEU 21 Cb -0.17 1.85 -0.01 0.00 -0.56 0.00 0.00 46.19 47.30 1ueq s LEU 21 CO 0.07 -0.95 0.11 -0.55 -1.06 0.00 0.00 176.35 173.97 1ueq s SER 22 N -2.87 0.17 0.07 1.48 0.15 -1.26 -1.20 113.70 110.24 1ueq s SER 22 Ca 0.08 -0.56 -0.11 0.00 0.70 0.00 0.00 55.95 56.07 1ueq s SER 22 Cb 0.01 0.25 0.01 0.00 -1.71 0.00 0.00 66.02 64.58 1ueq s SER 22 CO -0.06 -0.55 0.24 0.28 1.20 0.00 0.00 173.24 174.36 1ueq s THR 23 N -2.85 0.11 -0.29 6.45 -1.32 -0.95 -4.94 115.64 111.85 1ueq s THR 23 Ca -0.03 -0.91 -0.06 0.00 -1.21 0.00 0.00 61.69 59.48 1ueq s THR 23 Cb 0.00 -1.11 0.01 0.00 -1.51 0.00 0.00 72.50 69.90 1ueq s THR 23 CO -0.06 -0.50 0.06 -0.89 -2.21 0.00 0.00 174.62 171.02 1ueq s THR 24 N -3.19 3.81 -0.01 5.08 2.01 -1.26 -0.70 115.64 121.38 1ueq s THR 24 Ca -0.00 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.20 1ueq s THR 24 Cb 0.02 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 1ueq s THR 24 CO -0.07 0.10 0.24 -0.76 -0.69 0.00 0.00 174.62 173.43 1ueq s LEU 25 N 1.47 4.37 0.10 4.42 1.43 -0.43 -4.85 118.68 125.19 1ueq s LEU 25 Ca 0.02 0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 53.44 1ueq s LEU 25 Cb -0.17 -2.61 -0.07 0.00 0.03 0.00 0.00 46.19 43.37 1ueq s LEU 25 CO 0.01 0.27 0.58 -0.75 0.23 0.00 0.00 176.35 176.69 1ueq s LYS 26 N -1.75 4.16 -0.61 1.70 2.20 -1.26 -1.17 119.74 123.01 1ueq s LYS 26 Ca 0.26 0.70 -0.27 0.00 -0.36 0.00 0.00 55.97 56.31 1ueq s LYS 26 Cb -0.13 -3.14 -0.01 0.00 -1.51 0.00 0.00 37.83 33.04 1ueq s LYS 26 CO 0.16 0.59 1.67 0.21 -0.36 0.00 0.00 175.35 177.61 1ueq s LYS 27 N -1.36 2.89 0.65 4.03 2.47 -0.51 -4.84 119.74 123.06 1ueq s LYS 27 Ca 0.32 0.47 -0.11 0.00 -1.56 0.00 0.00 55.97 55.09 1ueq s LYS 27 Cb -0.18 -4.29 0.16 0.00 -1.46 0.00 0.00 37.83 32.05 1ueq s LYS 27 CO 0.19 -2.44 0.70 -1.13 0.16 0.00 0.00 175.35 172.84 1ueq n SER 28 N 11.42 -0.83 -0.19 1.43 3.41 -0.30 -2.56 113.62 125.99 1ueq n SER 28 Ca 0.16 -1.07 0.25 0.00 -0.26 0.00 0.00 58.87 57.94 1ueq n SER 28 Cb 0.51 -0.59 0.65 0.00 -0.26 0.00 0.00 64.21 64.52 1ueq n SER 28 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1ueq h ASN 29 N -1.54 0.14 -0.41 4.04 4.21 -1.97 -0.70 115.58 119.36 1ueq h ASN 29 Ca -0.25 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.28 1ueq h ASN 29 Cb 0.71 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.90 1ueq h ASN 29 CO 0.17 0.05 0.00 0.23 -1.29 0.00 0.00 177.43 176.59 1ueq n MET 30 N -4.36 3.12 0.00 0.81 2.81 -1.26 -5.07 117.12 113.17 1ueq n MET 30 Ca 0.19 -2.53 0.00 0.00 -1.81 0.00 0.00 57.70 53.55 1ueq n MET 30 Cb 0.86 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 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 0.40 1.27 3.34 3.03 0.00 -0.27 -4.89 105.19 108.08 1ueq n GLY 31 Ca 0.19 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 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 1.99 -0.40 1.61 0.08 -1.26 -1.15 117.98 118.84 1ueq s PHE 32 Ca 0.00 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.66 1ueq s PHE 32 Cb 0.00 -1.04 0.18 0.00 -0.57 0.00 0.00 43.02 41.59 1ueq s PHE 32 CO 0.00 0.32 1.05 0.41 -0.10 0.00 0.00 175.22 176.90 1ueq n GLY 33 N 0.66 2.30 3.37 4.36 0.00 -1.26 -4.82 105.19 109.80 1ueq n GLY 33 Ca -0.16 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.06 1.04 0.10 1.61 -0.71 -1.26 -0.70 117.98 116.99 1ueq s PHE 34 Ca 0.14 -1.25 0.02 0.00 -1.04 0.00 0.00 56.93 54.80 1ueq s PHE 34 Cb 0.11 -0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 41.58 1ueq s PHE 34 CO 0.03 -0.87 -0.07 0.95 -1.34 0.00 0.00 175.22 173.93 1ueq s THR 35 N -3.77 0.71 0.27 -4.49 -4.23 0.09 -4.89 115.64 99.33 1ueq s THR 35 Ca 0.33 -1.91 0.09 0.00 -1.18 0.00 0.00 61.69 59.03 1ueq s THR 35 Cb 0.03 -1.65 -0.05 0.00 1.34 0.00 0.00 72.50 72.16 1ueq s THR 35 CO 0.16 -0.85 -0.13 -0.63 -0.54 0.00 0.00 174.62 172.62 1ueq s ILE 36 N -3.53 2.01 0.11 2.99 1.09 -1.26 -0.16 121.20 122.45 1ueq s ILE 36 Ca 0.11 -2.25 0.04 0.00 -1.10 0.00 0.00 60.65 57.46 1ueq s ILE 36 Cb 0.05 -2.32 -0.04 0.00 -1.06 0.00 0.00 42.46 39.09 1ueq s ILE 36 CO -0.04 -0.40 -0.10 -0.51 -0.10 0.00 0.00 174.94 173.79 1ueq s ILE 37 N -2.79 1.00 0.03 2.92 2.07 -0.42 -4.55 121.20 119.46 1ueq s ILE 37 Ca 0.28 -1.76 -0.01 0.00 -1.41 0.00 0.00 60.65 57.75 1ueq s ILE 37 Cb -0.00 -1.51 -0.02 0.00 0.13 0.00 0.00 42.46 41.06 1ueq s ILE 37 CO 0.12 -0.61 -0.01 -0.83 -1.91 0.00 0.00 174.94 171.70 1ueq s GLY 38 N -2.65 0.28 0.00 1.50 0.00 -1.26 -2.42 107.32 102.77 1ueq s GLY 38 Ca 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.08 1ueq s GLY 38 CO 0.00 -0.81 0.66 0.61 0.00 0.00 0.00 173.10 173.55 1ueq n GLY 39 N 1.12 -2.29 0.85 0.20 0.00 -1.26 -4.95 105.19 98.86 1ueq n GLY 39 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1ueq n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ueq n ASP 40 N -1.25 -1.62 -4.92 1.61 2.03 -1.26 -5.08 116.55 106.06 1ueq n ASP 40 Ca 0.00 0.64 -0.26 0.00 0.52 0.00 0.00 54.79 55.69 1ueq n ASP 40 Cb 0.00 1.79 0.02 0.00 -0.72 0.00 0.00 41.12 42.21 1ueq n ASP 40 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ueq s GLU 41 N -2.00 3.13 0.00 -0.67 0.41 -1.26 -4.79 118.70 113.52 1ueq s GLU 41 Ca 0.00 -0.08 -0.04 0.00 -0.41 0.00 0.00 54.97 54.44 1ueq s GLU 41 Cb 0.00 -2.38 -0.19 0.00 -1.78 0.00 0.00 34.13 29.78 1ueq s GLU 41 CO 0.00 -0.44 2.90 -0.35 -0.49 0.00 0.00 175.26 176.87 1ueq n PRO 42 N -2.35 1.55 0.00 0.39 -0.04 -1.26 -3.14 135.00 130.14 1ueq n PRO 42 Ca 0.02 -0.70 0.00 0.00 -0.04 0.00 0.00 63.50 62.79 1ueq n PRO 42 Cb 0.57 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 2.40 0.00 -4.77 3.54 5.68 -1.26 -4.31 116.55 117.84 1ueq n ASP 43 Ca 0.30 -0.02 -0.39 0.00 -0.50 0.00 0.00 54.79 54.18 1ueq n ASP 43 Cb 0.72 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.69 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 3.94 -0.08 0.11 8.01 -1.19 -4.75 118.70 124.74 1ueq s GLU 44 Ca 0.00 2.03 -0.30 0.00 0.01 0.00 0.00 54.97 56.71 1ueq s GLU 44 Cb 0.00 -2.68 -0.02 0.00 -4.31 0.00 0.00 34.13 27.12 1ueq s GLU 44 CO 0.00 -0.48 1.06 -0.06 0.01 0.00 0.00 175.26 175.80 1ueq s PHE 45 N -1.33 3.43 0.17 1.61 0.40 -1.26 -4.66 117.98 116.33 1ueq s PHE 45 Ca 0.58 1.49 -0.27 0.00 -0.60 0.00 0.00 56.93 58.12 1ueq s PHE 45 Cb -0.35 -3.26 -0.08 0.00 0.51 0.00 0.00 43.02 39.85 1ueq s PHE 45 CO 0.44 -0.54 0.85 -0.51 0.70 0.00 0.00 175.22 176.16 1ueq s LEU 46 N 1.99 4.58 0.12 -0.37 1.43 -1.26 -4.65 118.68 120.52 1ueq s LEU 46 Ca 0.51 1.74 0.07 0.00 -1.03 0.00 0.00 54.13 55.42 1ueq s LEU 46 Cb -0.20 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 1ueq s LEU 46 CO 0.20 0.13 -0.16 -1.10 0.23 0.00 0.00 176.35 175.65 1ueq s GLN 47 N -0.86 1.06 -0.26 1.70 -0.21 -1.02 -1.25 119.66 118.82 1ueq s GLN 47 Ca 0.39 -1.22 -0.28 0.00 0.02 0.00 0.00 55.36 54.27 1ueq s GLN 47 Cb -0.24 -1.07 -0.03 0.00 1.00 0.00 0.00 33.01 32.68 1ueq s GLN 47 CO 0.28 0.22 1.89 0.08 -2.12 0.00 0.00 175.29 175.64 1ueq s VAL 48 N -1.81 3.36 0.10 1.09 1.01 -0.08 -1.30 120.40 122.78 1ueq s VAL 48 Ca 0.08 0.38 -0.21 0.00 0.00 0.00 0.00 61.98 62.23 1ueq s VAL 48 Cb -0.07 -3.45 -0.11 0.00 0.00 0.00 0.00 36.38 32.75 1ueq s VAL 48 CO 0.04 -0.26 1.74 0.50 0.00 0.00 0.00 175.10 177.11 1ueq h LYS 49 N 12.97 0.15 -2.00 2.72 3.64 -0.79 -3.20 116.57 130.06 1ueq h LYS 49 Ca -0.36 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.96 1ueq h LYS 49 Cb 1.19 -0.03 -0.19 0.00 -0.41 0.00 0.00 32.23 32.78 1ueq h LYS 49 CO 1.00 0.12 0.23 -1.12 -2.27 0.00 0.00 179.45 177.41 1ueq s SER 50 N -5.32 -0.63 -0.26 4.20 0.01 -1.21 -4.82 113.70 105.67 1ueq s SER 50 Ca -0.13 0.66 -0.10 0.00 1.31 0.00 0.00 55.95 57.69 1ueq s SER 50 Cb 0.07 0.52 -0.04 0.00 0.21 0.00 0.00 66.02 66.78 1ueq s SER 50 CO 0.68 -0.60 0.14 -0.69 0.41 0.00 0.00 173.24 173.19 1ueq s VAL 51 N -1.29 5.03 0.03 3.43 1.01 -1.26 -0.73 120.40 126.61 1ueq s VAL 51 Ca -0.10 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 1ueq s VAL 51 Cb -0.00 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1ueq s VAL 51 CO 0.08 0.31 1.18 -0.63 0.00 0.00 0.00 175.10 176.04 1ueq s ILE 52 N 1.48 4.16 0.66 2.22 1.09 0.12 -4.97 121.20 125.96 1ueq s ILE 52 Ca 0.07 1.54 -0.17 0.00 -1.10 0.00 0.00 60.65 60.99 1ueq s ILE 52 Cb -0.15 -3.99 -0.00 0.00 -1.06 0.00 0.00 42.46 37.26 1ueq s ILE 52 CO 0.07 0.09 1.20 -2.16 -0.10 0.00 0.00 174.94 174.04 1ueq s PRO 53 N 1.36 2.59 0.00 2.79 0.04 -1.26 -2.55 135.00 137.97 1ueq s PRO 53 Ca 0.57 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1ueq s PRO 53 Cb -0.28 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1ueq s PRO 53 CO 0.27 -1.49 0.00 -3.47 0.04 0.00 0.00 177.00 172.35 1ueq n ASP 54 N -2.15 0.00 -4.72 6.66 -0.08 -1.26 -4.98 116.55 110.02 1ueq n ASP 54 Ca 0.13 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 53.11 1ueq n ASP 54 Cb 0.50 -0.79 0.13 0.00 2.34 0.00 0.00 41.12 43.29 1ueq n ASP 54 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1ueq s GLY 55 N -1.47 1.66 0.58 0.27 0.00 -1.06 -4.68 107.32 102.63 1ueq s GLY 55 Ca 0.00 0.27 0.36 0.00 0.00 0.00 0.00 44.72 45.35 1ueq s GLY 55 CO 0.00 0.68 2.12 -0.56 0.00 0.00 0.00 173.10 175.34 1ueq h PRO 56 N -1.50 0.00 0.06 2.90 0.13 -1.87 -0.50 132.00 131.23 1ueq h PRO 56 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ueq h PRO 56 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ueq h PRO 56 CO 0.49 0.03 -0.03 0.00 -0.23 0.00 0.00 178.00 178.26 1ueq h ALA 57 N 1.97 -0.08 -0.45 -0.56 0.00 -1.88 -2.54 119.26 115.71 1ueq h ALA 57 Ca -0.00 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1ueq h ALA 57 Cb 0.33 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1ueq h ALA 57 CO 0.00 -0.32 0.27 0.00 0.00 0.00 0.00 179.25 179.21 1ueq h ALA 58 N 0.35 0.57 0.00 0.00 0.00 -1.48 -1.57 119.26 117.13 1ueq h ALA 58 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ueq h ALA 58 Cb 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ueq h ALA 58 CO 0.01 -0.03 0.00 1.04 0.00 0.00 0.00 179.25 180.27 1ueq n GLN 59 N -4.82 0.09 0.08 0.00 6.02 -0.29 -0.93 117.38 117.52 1ueq n GLN 59 Ca 0.02 0.24 0.11 0.00 -0.01 0.00 0.00 57.00 57.37 1ueq n GLN 59 Cb 0.06 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.78 1ueq n GLN 59 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1ueq n ASP 60 N -1.33 0.67 -2.12 1.08 2.03 -0.60 -5.02 116.55 111.26 1ueq n ASP 60 Ca 0.03 0.26 -0.17 0.00 0.52 0.00 0.00 54.79 55.43 1ueq n ASP 60 Cb 0.07 0.77 0.01 0.00 -0.72 0.00 0.00 41.12 41.24 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 1.20 -0.30 0.00 0.27 0.00 -0.11 -4.83 105.19 101.42 1ueq n GLY 61 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.02 -3.31 1.61 5.02 -1.26 -5.07 118.16 112.26 1ueq n LYS 62 Ca -0.16 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.75 1ueq n LYS 62 Cb 0.63 -0.60 -0.06 0.00 -0.02 0.00 0.00 35.03 34.98 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 -1.19 4.15 0.21 1.97 1.75 -1.26 -5.03 119.30 119.90 1ueq s MET 63 Ca 0.00 0.68 0.00 0.00 -1.25 0.00 0.00 55.69 55.12 1ueq s MET 63 Cb 0.00 -3.22 -0.04 0.00 2.84 0.00 0.00 34.83 34.41 1ueq s MET 63 CO 0.00 0.64 0.09 -1.21 -0.65 0.00 0.00 175.02 173.89 1ueq s GLU 64 N -1.15 1.23 0.64 4.11 0.41 -1.26 -4.78 118.70 117.90 1ueq s GLU 64 Ca 0.29 -1.64 -0.11 0.00 -0.41 0.00 0.00 54.97 53.09 1ueq s GLU 64 Cb -0.19 0.00 -0.02 0.00 -1.78 0.00 0.00 34.13 32.14 1ueq s GLU 64 CO 0.18 -0.31 1.04 0.99 -0.49 0.00 0.00 175.26 176.68 1ueq s THR 65 N -3.93 4.46 0.00 3.63 2.01 -1.26 -3.75 115.64 116.79 1ueq s THR 65 Ca 0.35 0.80 0.00 0.00 0.31 0.00 0.00 61.69 63.15 1ueq s THR 65 Cb 0.07 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.85 1ueq s THR 65 CO 0.10 -1.04 0.00 0.61 -0.69 0.00 0.00 174.62 173.60 1ueq n GLY 66 N -2.60 3.04 3.78 4.40 0.00 -1.21 -4.95 105.19 107.65 1ueq n GLY 66 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.19 5.51 -0.17 1.61 1.11 -1.25 -4.36 116.67 117.94 1ueq s ASP 67 Ca 0.00 2.02 -0.08 0.00 0.18 0.00 0.00 52.55 54.68 1ueq s ASP 67 Cb 0.00 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 1ueq s ASP 67 CO 0.00 -1.36 0.08 -0.69 1.18 0.00 0.00 175.17 174.39 1ueq s VAL 68 N -2.15 4.98 -0.04 -1.27 1.01 -1.12 -0.90 120.40 120.92 1ueq s VAL 68 Ca 0.68 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 1ueq s VAL 68 Cb -0.21 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1ueq s VAL 68 CO 0.34 0.48 1.13 -0.63 0.00 0.00 0.00 175.10 176.43 1ueq s ILE 69 N 0.13 4.40 -0.13 2.22 1.09 -0.38 -1.59 121.20 126.93 1ueq s ILE 69 Ca 0.06 1.71 -0.15 0.00 -1.10 0.00 0.00 60.65 61.17 1ueq s ILE 69 Cb -0.12 -4.10 -0.05 0.00 -1.06 0.00 0.00 42.46 37.13 1ueq s ILE 69 CO 0.00 0.04 -0.29 0.52 -0.10 0.00 0.00 174.94 175.11 1ueq n VAL 70 N 4.39 1.45 -4.12 2.92 0.31 -0.29 -4.41 118.33 118.57 1ueq n VAL 70 Ca 0.09 0.18 -0.14 0.00 -0.01 0.00 0.00 64.34 64.47 1ueq n VAL 70 Cb 0.47 -2.22 -0.11 0.00 -0.91 0.00 0.00 33.84 31.07 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 -2.75 0.88 -0.24 3.52 2.02 -1.20 -2.06 117.35 117.52 1ueq s TYR 71 Ca -0.24 -0.60 0.01 0.00 -0.37 0.00 0.00 57.07 55.86 1ueq s TYR 71 Cb 0.03 -0.50 0.07 0.00 -0.40 0.00 0.00 41.96 41.15 1ueq s TYR 71 CO 0.36 -0.05 -0.03 0.42 -1.57 0.00 0.00 175.55 174.68 1ueq s ILE 72 N -2.01 1.45 0.00 2.71 1.01 -0.08 -1.43 121.20 122.84 1ueq s ILE 72 Ca -0.01 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.38 1ueq s ILE 72 Cb -0.06 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.63 1ueq s ILE 72 CO -0.00 -0.18 0.00 -3.20 0.00 0.00 0.00 174.94 171.55 1ueq n ASN 73 N 4.69 0.00 0.00 3.58 2.85 0.68 -1.44 115.26 125.62 1ueq n ASN 73 Ca -0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 1ueq n ASN 73 Cb 0.44 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.46 1ueq n ASN 73 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1ueq n GLU 74 N 0.00 1.44 -2.81 1.20 2.13 -1.26 -4.70 120.64 116.64 1ueq n GLU 74 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 1ueq n GLU 74 Cb 0.00 -0.27 -0.04 0.00 0.27 0.00 0.00 31.44 31.40 1ueq n GLU 74 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1ueq s VAL 75 N -0.55 4.83 0.19 6.31 1.01 -0.52 -5.02 120.40 126.65 1ueq s VAL 75 Ca 0.00 1.89 -0.31 0.00 0.00 0.00 0.00 61.98 63.56 1ueq s VAL 75 Cb 0.00 -4.24 -0.10 0.00 0.00 0.00 0.00 36.38 32.04 1ueq s VAL 75 CO 0.00 0.23 1.51 0.00 0.00 0.00 0.00 175.10 176.83 1ueq n VAL 77 N 3.35 0.17 0.29 0.00 0.24 -0.87 -4.86 118.33 116.65 1ueq n VAL 77 Ca 0.11 -0.24 0.15 0.00 -2.04 0.00 0.00 64.34 62.32 1ueq n VAL 77 Cb 0.39 1.22 0.89 0.00 -1.47 0.00 0.00 33.84 34.88 1ueq n VAL 77 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1ueq h LEU 78 N 0.00 0.00 -5.25 1.34 5.85 -1.73 0.23 115.31 115.76 1ueq h LEU 78 Ca 0.00 0.00 -0.44 0.00 0.84 0.00 0.00 57.88 58.28 1ueq h LEU 78 Cb 0.62 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 41.24 1ueq h LEU 78 CO 0.00 0.04 -1.10 0.61 -0.34 0.00 0.00 178.44 177.65 1ueq n GLY 79 N -1.04 2.95 3.94 3.75 0.00 -1.26 -4.35 105.19 109.18 1ueq n GLY 79 Ca -0.03 -1.69 -0.24 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.00 3.49 0.61 1.61 3.76 0.07 -4.22 115.29 117.60 1ueq s HIS 80 Ca 0.35 0.29 -0.14 0.00 -0.15 0.00 0.00 55.06 55.41 1ueq s HIS 80 Cb 0.41 -1.84 -0.03 0.00 1.11 0.00 0.00 32.58 32.23 1ueq s HIS 80 CO -0.04 0.24 1.04 -0.08 -0.85 0.00 0.00 174.74 175.06 1ueq s THR 81 N -2.14 4.08 0.57 1.30 -1.32 -1.26 -4.47 115.64 112.40 1ueq s THR 81 Ca 0.39 0.88 0.27 0.00 -1.21 0.00 0.00 61.69 62.02 1ueq s THR 81 Cb -0.10 -3.49 0.36 0.00 -1.51 0.00 0.00 72.50 67.76 1ueq s THR 81 CO 0.33 -0.68 2.06 -0.74 -2.21 0.00 0.00 174.62 173.38 1ueq h HIS 82 N 0.18 0.00 0.13 9.09 2.76 -1.87 -1.14 115.15 124.31 1ueq h HIS 82 Ca -0.46 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 57.72 1ueq h HIS 82 Cb 1.21 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.15 1ueq h HIS 82 CO 0.61 0.00 -0.14 0.00 -1.30 0.00 0.00 177.93 177.10 1ueq h ALA 83 N 1.76 -0.27 -0.28 5.26 0.00 -1.92 0.13 119.26 123.93 1ueq h ALA 83 Ca 0.13 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1ueq h ALA 83 Cb 0.62 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ueq h ALA 83 CO -0.00 -0.68 -0.27 0.22 0.00 0.00 0.00 179.25 178.52 1ueq h ASP 84 N -0.31 0.73 -0.42 0.00 3.58 -1.78 -2.52 116.42 115.71 1ueq h ASP 84 Ca 0.01 -0.47 -0.11 0.00 0.42 0.00 0.00 57.03 56.88 1ueq h ASP 84 Cb 0.30 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1ueq h ASP 84 CO -0.05 1.05 -0.14 0.58 -2.88 0.00 0.00 179.24 177.80 1ueq h VAL 85 N 0.43 1.27 -0.77 2.25 2.07 -1.12 0.17 116.25 120.54 1ueq h VAL 85 Ca 0.05 -1.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 1ueq h VAL 85 Cb 0.84 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1ueq h VAL 85 CO 0.07 0.43 0.30 0.58 0.02 0.00 0.00 177.57 178.97 1ueq h VAL 86 N 0.79 1.26 -0.15 2.57 2.07 -0.78 -0.68 116.25 121.33 1ueq h VAL 86 Ca 0.12 -0.83 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 1ueq h VAL 86 Cb 0.66 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1ueq h VAL 86 CO 0.05 0.33 -0.22 0.07 0.02 0.00 0.00 177.57 177.83 1ueq h LYS 87 N 1.12 0.26 -0.19 1.57 5.09 -0.84 0.32 116.57 123.90 1ueq h LYS 87 Ca 0.26 -0.08 -0.03 0.00 0.09 0.00 0.00 60.65 60.89 1ueq h LYS 87 Cb 0.23 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 32.52 1ueq h LYS 87 CO -0.02 0.47 -0.00 -0.07 -2.09 0.00 0.00 179.45 177.74 1ueq h LEU 88 N 0.24 0.34 -0.69 7.07 3.38 -0.11 0.11 115.31 125.63 1ueq h LEU 88 Ca 0.04 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 1ueq h LEU 88 Cb 0.52 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1ueq h LEU 88 CO 0.04 0.57 0.15 -0.26 0.09 0.00 0.00 178.44 179.02 1ueq h PHE 89 N 0.10 1.19 -0.29 1.13 0.04 -0.83 -2.52 116.94 115.75 1ueq h PHE 89 Ca 0.05 -0.15 -0.04 0.00 2.80 0.00 0.00 57.97 60.63 1ueq h PHE 89 Cb 0.40 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 1ueq h PHE 89 CO 0.04 0.98 0.01 1.96 -0.60 0.00 0.00 178.31 180.70 1ueq h GLN 90 N 1.06 0.44 -0.09 1.51 4.20 -0.77 -2.60 115.11 118.86 1ueq h GLN 90 Ca 0.21 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.87 1ueq h GLN 90 Cb 0.41 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1ueq h GLN 90 CO 0.01 0.46 0.17 0.77 -0.67 0.00 0.00 178.83 179.57 1ueq h SER 91 N 0.43 0.00 -3.50 1.46 0.02 -0.32 -3.40 113.55 108.24 1ueq h SER 91 Ca 0.10 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.45 1ueq h SER 91 Cb 0.26 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.71 1ueq h SER 91 CO 0.01 0.00 0.61 -0.69 -1.14 0.00 0.00 176.83 175.61 1ueq s VAL 92 N -4.40 4.57 0.70 2.27 1.01 -0.98 -5.04 120.40 118.53 1ueq s VAL 92 Ca -0.04 1.18 -0.09 0.00 0.00 0.00 0.00 61.98 63.02 1ueq s VAL 92 Cb 0.13 -4.34 0.04 0.00 0.00 0.00 0.00 36.38 32.21 1ueq s VAL 92 CO 0.45 -0.56 1.04 -2.16 0.00 0.00 0.00 175.10 173.88 1ueq s PRO 93 N 3.51 2.53 -0.69 2.72 0.04 -1.26 -4.98 135.00 136.87 1ueq s PRO 93 Ca 0.38 0.10 -0.26 0.00 0.04 0.00 0.00 61.00 61.26 1ueq s PRO 93 Cb -0.12 -2.11 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 1ueq s PRO 93 CO 0.19 -1.11 1.67 0.42 0.04 0.00 0.00 177.00 178.21 1ueq s ILE 94 N -3.28 3.50 0.00 0.56 1.01 -1.26 -2.51 121.20 119.21 1ueq s ILE 94 Ca 0.58 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.43 1ueq s ILE 94 Cb -0.11 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1ueq s ILE 94 CO 0.48 -1.25 0.00 0.61 0.00 0.00 0.00 174.94 174.78 1ueq n GLY 95 N 5.72 0.96 3.91 6.18 0.00 -1.06 -5.01 105.19 115.89 1ueq n GLY 95 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 2.86 0.09 1.61 -1.52 -1.04 -4.79 119.66 116.86 1ueq s GLN 96 Ca 0.00 0.13 0.10 0.00 -1.95 0.00 0.00 55.36 53.64 1ueq s GLN 96 Cb 0.00 -2.18 -0.03 0.00 -0.22 0.00 0.00 33.01 30.57 1ueq s GLN 96 CO 0.00 -0.84 -0.26 -1.54 -0.25 0.00 0.00 175.29 172.40 1ueq s SER 97 N -4.33 3.17 -0.03 5.90 1.04 -1.26 -1.43 113.70 116.75 1ueq s SER 97 Ca 0.56 -0.66 -0.03 0.00 0.48 0.00 0.00 55.95 56.30 1ueq s SER 97 Cb -0.11 -0.25 0.01 0.00 0.10 0.00 0.00 66.02 65.78 1ueq s SER 97 CO 0.47 0.21 0.08 0.68 0.98 0.00 0.00 173.24 175.66 1ueq s VAL 98 N -0.94 -0.01 0.43 5.02 -7.23 -0.32 -4.96 120.40 112.40 1ueq s VAL 98 Ca 0.12 0.02 -0.13 0.00 -1.81 0.00 0.00 61.98 60.18 1ueq s VAL 98 Cb -0.10 -0.12 -0.07 0.00 0.56 0.00 0.00 36.38 36.65 1ueq s VAL 98 CO 0.04 0.01 0.84 0.21 -0.31 0.00 0.00 175.10 175.89 1ueq s ASN 99 N 0.16 6.61 -0.20 4.85 3.84 -1.26 -1.31 114.94 127.62 1ueq s ASN 99 Ca -0.01 1.32 -0.04 0.00 0.21 0.00 0.00 52.86 54.34 1ueq s ASN 99 Cb -0.02 -2.40 0.09 0.00 -0.55 0.00 0.00 41.25 38.37 1ueq s ASN 99 CO -0.00 -0.43 0.20 -0.76 -2.79 0.00 0.00 177.10 173.31 1ueq s LEU 100 N -3.77 -0.01 -0.23 3.21 1.43 0.12 -0.23 118.68 119.20 1ueq s LEU 100 Ca 0.55 -0.35 -0.21 0.00 -1.03 0.00 0.00 54.13 53.09 1ueq s LEU 100 Cb -0.10 0.25 -0.02 0.00 0.03 0.00 0.00 46.19 46.35 1ueq s LEU 100 CO 0.29 -0.34 0.66 -0.69 0.23 0.00 0.00 176.35 176.50 1ueq s VAL 101 N 2.29 4.98 0.29 -1.59 1.01 -0.52 -2.24 120.40 124.62 1ueq s VAL 101 Ca 0.06 1.21 0.11 0.00 0.00 0.00 0.00 61.98 63.36 1ueq s VAL 101 Cb -0.16 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1ueq s VAL 101 CO -0.13 0.05 -0.14 -0.76 0.00 0.00 0.00 175.10 174.11 1ueq s LEU 102 N 2.32 2.73 -0.25 3.92 1.43 -0.34 -1.14 118.68 127.35 1ueq s LEU 102 Ca 0.28 -0.98 -0.07 0.00 -1.03 0.00 0.00 54.13 52.34 1ueq s LEU 102 Cb -0.16 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.84 1ueq s LEU 102 CO 0.09 -0.01 0.05 0.00 0.23 0.00 0.00 176.35 176.71 1ueq s ARG 104 N 1.57 4.37 0.00 0.00 3.52 -0.12 -2.80 118.95 125.49 1ueq s ARG 104 Ca 0.06 1.04 0.00 0.00 -0.13 0.00 0.00 55.73 56.70 1ueq s ARG 104 Cb -0.15 -3.53 0.00 0.00 -1.56 0.00 0.00 34.95 29.71 1ueq s ARG 104 CO 0.02 -0.20 0.00 0.41 -0.81 0.00 0.00 175.30 174.73 1ueq n GLY 105 N 3.30 0.87 3.77 8.12 0.00 -1.26 -1.21 105.19 118.78 1ueq n GLY 105 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1ueq n GLY 105 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ueq s TYR 106 N -1.63 2.82 1.12 1.61 2.02 -1.26 -4.97 117.35 117.06 1ueq s TYR 106 Ca 0.00 1.41 -0.17 0.00 -0.37 0.00 0.00 57.07 57.94 1ueq s TYR 106 Cb 0.00 -3.67 0.25 0.00 -0.40 0.00 0.00 41.96 38.15 1ueq s TYR 106 CO 0.00 -2.08 1.12 -1.25 -1.57 0.00 0.00 175.55 171.77 1ueq s PRO 107 N -2.24 -0.59 0.89 -1.71 0.04 -1.26 -4.42 135.00 125.71 1ueq s PRO 107 Ca 0.57 0.07 -0.11 0.00 0.04 0.00 0.00 61.00 61.58 1ueq s PRO 107 Cb -0.38 -1.66 0.13 0.00 0.04 0.00 0.00 34.50 32.63 1ueq s PRO 107 CO 0.49 -3.32 1.11 -0.51 0.04 0.00 0.00 177.00 174.81 1ueq s LEU 108 N -6.71 2.65 0.02 -3.56 1.02 -1.26 -4.76 118.68 106.07 1ueq s LEU 108 Ca 0.69 1.94 -0.16 0.00 0.02 0.00 0.00 54.13 56.63 1ueq s LEU 108 Cb -0.12 -4.37 -0.35 0.00 0.02 0.00 0.00 46.19 41.36 1ueq s LEU 108 CO 0.56 -2.84 0.96 1.55 0.02 0.00 0.00 176.35 176.60 1ueq h PRO 109 N -1.69 0.53 -6.60 1.29 0.13 -1.97 -3.46 132.00 120.23 1ueq h PRO 109 Ca -0.46 -0.90 -0.69 0.00 -0.87 0.00 0.00 66.00 63.09 1ueq h PRO 109 Cb 1.26 0.33 -0.28 0.00 0.13 0.00 0.00 31.00 32.45 1ueq h PRO 109 CO 0.47 1.43 -0.88 0.12 -0.23 0.00 0.00 178.00 178.91 1ueq s PHE 110 N -2.59 2.27 -0.42 1.56 5.36 -1.26 -5.13 117.98 117.76 1ueq s PHE 110 Ca -0.10 -0.42 -0.12 0.00 -0.96 0.00 0.00 56.93 55.33 1ueq s PHE 110 Cb 0.04 -1.41 0.05 0.00 -0.34 0.00 0.00 43.02 41.36 1ueq s PHE 110 CO 0.94 0.03 0.29 -0.51 -1.46 0.00 0.00 175.22 174.51 1ueq s ASP 111 N -0.89 5.89 0.47 6.13 1.01 -1.26 -4.95 116.67 123.07 1ueq s ASP 111 Ca 0.10 -1.22 0.26 0.00 0.71 0.00 0.00 52.55 52.40 1ueq s ASP 111 Cb -0.10 -2.08 0.68 0.00 1.01 0.00 0.00 42.92 42.43 1ueq s ASP 111 CO 0.00 -0.52 1.73 1.55 0.21 0.00 0.00 175.17 178.15 1ueq h PRO 112 N 8.55 0.00 -0.25 8.23 0.13 -2.00 -3.35 132.00 143.32 1ueq h PRO 112 Ca -0.26 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.76 1ueq h PRO 112 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1ueq h PRO 112 CO 0.77 0.03 -0.33 0.93 -0.23 0.00 0.00 178.00 179.17 1ueq h GLU 113 N 0.00 0.52 -3.29 0.86 4.39 -2.08 -3.36 114.58 111.62 1ueq h GLU 113 Ca -0.00 -0.23 -0.63 0.00 0.34 0.00 0.00 59.36 58.84 1ueq h GLU 113 Cb 0.85 -0.01 -0.41 0.00 -0.10 0.00 0.00 28.75 29.08 1ueq h GLU 113 CO 0.00 0.79 -0.67 -0.51 -1.16 0.00 0.00 179.01 177.46 1ueq s ASP 114 N -6.83 4.11 0.17 1.42 1.01 -1.26 -4.98 116.67 110.32 1ueq s ASP 114 Ca -0.07 -2.85 -0.01 0.00 0.71 0.00 0.00 52.55 50.33 1ueq s ASP 114 Cb 0.13 -1.44 0.04 0.00 1.01 0.00 0.00 42.92 42.66 1ueq s ASP 114 CO 0.81 -0.25 1.42 1.55 0.21 0.00 0.00 175.17 178.91 1ueq h PRO 115 N 6.62 0.35 0.00 8.23 0.13 -1.77 -3.46 132.00 142.10 1ueq h PRO 115 Ca -0.06 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1ueq h PRO 115 Cb 0.91 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1ueq h PRO 115 CO 0.62 0.97 0.00 0.00 -0.23 0.00 0.00 178.00 179.35 1ueq n ALA 116 N -2.50 0.03 -1.26 -0.56 0.00 -1.26 -5.13 120.51 109.84 1ueq n ALA 116 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ueq n ALA 116 Cb 0.73 0.00 0.00 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 -1.97 -7.02 -3.20 0.00 5.03 -1.26 -5.11 115.26 101.73 1ueq n ASN 117 Ca 0.00 0.98 0.04 0.00 0.87 0.00 0.00 54.58 56.47 1ueq n ASN 117 Cb 0.00 -3.53 -0.03 0.00 -1.02 0.00 0.00 39.78 35.20 1ueq n ASN 117 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1ueq s SER 118 N -2.96 -0.34 -0.03 6.41 0.01 -1.26 -5.13 113.70 110.40 1ueq s SER 118 Ca 0.00 0.29 -0.28 0.00 1.31 0.00 0.00 55.95 57.27 1ueq s SER 118 Cb 0.00 1.32 -0.03 0.00 0.21 0.00 0.00 66.02 67.52 1ueq s SER 118 CO 0.00 -0.06 0.92 -0.83 0.41 0.00 0.00 173.24 173.68 1ueq s GLY 119 N 2.70 2.75 0.00 3.44 0.00 -1.26 -4.96 107.32 109.99 1ueq s GLY 119 Ca -0.03 0.42 0.18 0.00 0.00 0.00 0.00 44.72 45.29 1ueq s GLY 119 CO -0.12 1.61 1.58 -1.55 0.00 0.00 0.00 173.10 174.62 1ueq n PRO 120 N 4.06 0.03 0.00 2.90 -0.04 -1.26 -4.50 135.00 136.20 1ueq n PRO 120 Ca 0.05 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1ueq n PRO 120 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1ueq n PRO 120 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ueq n SER 121 N -1.47 0.00 0.00 3.54 7.64 -1.26 -5.03 113.62 117.03 1ueq n SER 121 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1ueq n SER 121 Cb 0.21 0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1ueq n SER 121 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ueq n SER 122 N -2.34 0.00 0.00 6.43 2.88 -1.26 -5.28 113.62 114.04 1ueq n SER 122 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ueq n SER 122 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ueq n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42