#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ueq n SER 2 N 0.00 -0.20 -2.07 1.61 7.64 -1.26 -5.14 113.62 114.21 1ueq n SER 2 Ca 0.00 -0.27 -0.01 0.00 1.01 0.00 0.00 58.87 59.60 1ueq n SER 2 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ueq n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ueq n SER 3 N -1.10 1.98 -3.72 6.43 7.64 -1.26 -5.19 113.62 118.40 1ueq n SER 3 Ca 0.00 -1.05 -0.17 0.00 1.01 0.00 0.00 58.87 58.66 1ueq n SER 3 Cb 0.00 0.01 -0.09 0.00 -1.01 0.00 0.00 64.21 63.12 1ueq n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ueq s GLY 4 N -1.10 2.00 0.57 0.23 0.00 -1.26 -5.14 107.32 102.62 1ueq s GLY 4 Ca 0.00 -1.91 -0.20 0.00 0.00 0.00 0.00 44.72 42.61 1ueq s GLY 4 CO 0.00 -1.46 1.17 1.44 0.00 0.00 0.00 173.10 174.25 1ueq n SER 5 N -1.04 1.75 0.00 1.64 7.64 -1.26 -5.04 113.62 117.31 1ueq n SER 5 Ca 0.05 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.83 1ueq n SER 5 Cb 0.64 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1ueq n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ueq n SER 6 N -0.91 0.00 -0.84 6.43 2.88 -1.26 -5.16 113.62 114.76 1ueq n SER 6 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1ueq n SER 6 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1ueq n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ueq n GLY 7 N 5.00 0.46 0.20 0.46 0.00 -1.26 -5.09 105.19 104.95 1ueq n GLY 7 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1ueq n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ueq n LEU 8 N 0.00 0.00 -4.70 0.99 4.32 -1.26 -5.08 117.00 111.27 1ueq n LEU 8 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.68 1ueq n LEU 8 Cb 0.00 -0.01 0.14 0.00 -1.62 0.00 0.00 43.42 41.93 1ueq n LEU 8 CO 0.00 -0.11 0.69 0.12 -1.22 0.00 0.00 177.39 176.87 1ueq s PHE 9 N -0.23 1.90 0.00 -1.77 5.36 -1.26 -5.06 117.98 116.92 1ueq s PHE 9 Ca 0.00 1.72 0.00 0.00 -0.96 0.00 0.00 56.93 57.69 1ueq s PHE 9 Cb 0.00 -3.28 0.00 0.00 -0.34 0.00 0.00 43.02 39.40 1ueq s PHE 9 CO 0.00 -2.53 0.00 2.41 -1.46 0.00 0.00 175.22 173.64 1ueq n THR 10 N -3.93 0.00 0.00 0.12 -1.04 -1.26 -5.04 114.28 103.13 1ueq n THR 10 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1ueq n THR 10 Cb 0.52 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 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 -0.57 -2.82 1.74 -1.26 -4.84 116.66 108.91 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 0.00 0.06 0.00 0.55 2.03 -1.26 -4.97 116.55 112.96 1ueq n ASP 12 Ca 0.00 -1.87 0.00 0.00 0.52 0.00 0.00 54.79 53.44 1ueq n ASP 12 Cb 0.00 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 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 0.03 0.00 0.31 -1.67 0.00 -1.26 -4.75 120.51 113.17 1ueq n ALA 13 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 1ueq n ALA 13 Cb 0.70 -0.12 1.01 0.00 0.00 0.00 0.00 19.45 21.05 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 1.55 0.00 0.87 -1.95 -0.85 113.55 113.16 1ueq h SER 14 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ueq h SER 14 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1ueq h SER 14 CO 0.00 0.01 -0.07 1.56 -0.53 0.00 0.00 176.83 177.80 1ueq h GLN 15 N 0.00 0.00 -7.19 2.24 1.08 -1.88 -3.46 115.11 105.90 1ueq h GLN 15 Ca -0.00 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.72 1ueq h GLN 15 Cb 0.02 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.49 1ueq h GLN 15 CO 0.00 0.00 0.38 -0.51 -0.95 0.00 0.00 178.83 177.75 1ueq s LEU 16 N -4.92 3.58 -0.32 1.46 1.43 -0.33 -4.99 118.68 114.59 1ueq s LEU 16 Ca 0.09 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.90 1ueq s LEU 16 Cb 0.11 -4.52 0.10 0.00 0.03 0.00 0.00 46.19 41.90 1ueq s LEU 16 CO 0.63 -0.87 0.10 -0.54 0.23 0.00 0.00 176.35 175.90 1ueq s LYS 17 N -4.02 0.85 0.00 1.70 -0.14 -1.26 -5.06 119.74 111.81 1ueq s LYS 17 Ca 0.62 -1.24 0.00 0.00 -1.36 0.00 0.00 55.97 53.99 1ueq s LYS 17 Cb -0.13 -2.19 0.00 0.00 -1.68 0.00 0.00 37.83 33.83 1ueq s LYS 17 CO 0.33 -0.99 0.00 0.41 -0.76 0.00 0.00 175.35 174.34 1ueq n GLY 18 N 4.70 -0.20 3.78 -3.33 0.00 -1.26 -4.95 105.19 103.94 1ueq n GLY 18 Ca -0.01 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.00 5.39 -0.07 2.61 2.01 -1.09 -4.80 115.64 117.68 1ueq s THR 19 Ca 0.00 0.32 -0.04 0.00 0.31 0.00 0.00 61.69 62.28 1ueq s THR 19 Cb 0.00 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 1ueq s THR 19 CO 0.00 0.49 0.13 -0.36 -0.69 0.00 0.00 174.62 174.20 1ueq s PHE 20 N -0.14 3.51 0.21 4.92 0.40 -1.26 -0.14 117.98 125.47 1ueq s PHE 20 Ca 0.13 0.41 -0.15 0.00 -0.60 0.00 0.00 56.93 56.72 1ueq s PHE 20 Cb -0.12 -1.87 0.01 0.00 0.51 0.00 0.00 43.02 41.55 1ueq s PHE 20 CO 0.02 0.66 0.49 -0.48 0.70 0.00 0.00 175.22 176.62 1ueq s LEU 21 N -1.40 0.25 0.06 -0.37 -0.00 -1.11 -5.02 118.68 111.09 1ueq s LEU 21 Ca 0.20 -0.67 -0.10 0.00 -0.00 0.00 0.00 54.13 53.56 1ueq s LEU 21 Cb -0.12 1.95 0.00 0.00 -0.00 0.00 0.00 46.19 48.02 1ueq s LEU 21 CO 0.10 -1.08 0.20 -0.94 -0.00 0.00 0.00 176.35 174.63 1ueq s SER 22 N -2.93 0.05 0.05 1.48 1.04 -1.26 -1.62 113.70 110.50 1ueq s SER 22 Ca 0.14 -0.45 -0.00 0.00 0.48 0.00 0.00 55.95 56.12 1ueq s SER 22 Cb -0.01 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 1ueq s SER 22 CO 0.02 -0.62 -0.04 0.28 0.98 0.00 0.00 173.24 173.86 1ueq s THR 23 N -3.00 0.25 -0.35 2.02 -1.32 -1.15 -5.00 115.64 107.11 1ueq s THR 23 Ca -0.02 -1.57 -0.09 0.00 -1.21 0.00 0.00 61.69 58.80 1ueq s THR 23 Cb 0.01 -1.19 0.02 0.00 -1.51 0.00 0.00 72.50 69.83 1ueq s THR 23 CO -0.06 -0.84 0.16 -0.89 -2.21 0.00 0.00 174.62 170.78 1ueq s THR 24 N -3.18 4.32 -0.14 5.08 2.01 -1.26 -1.75 115.64 120.72 1ueq s THR 24 Ca 0.01 -0.83 -0.10 0.00 0.31 0.00 0.00 61.69 61.08 1ueq s THR 24 Cb 0.03 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.13 1ueq s THR 24 CO -0.07 -0.13 0.19 -0.76 -0.69 0.00 0.00 174.62 173.16 1ueq s LEU 25 N 1.52 4.32 0.39 4.42 1.43 -0.50 -4.87 118.68 125.39 1ueq s LEU 25 Ca 0.02 0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 53.41 1ueq s LEU 25 Cb -0.19 -2.18 -0.09 0.00 0.03 0.00 0.00 46.19 43.76 1ueq s LEU 25 CO 0.05 0.28 0.83 -0.75 0.23 0.00 0.00 176.35 176.99 1ueq s LYS 26 N -0.35 4.00 -1.42 1.70 2.20 -1.26 -1.64 119.74 122.98 1ueq s LYS 26 Ca 0.14 0.78 -0.14 0.00 -0.36 0.00 0.00 55.97 56.38 1ueq s LYS 26 Cb -0.12 -2.32 0.02 0.00 -1.51 0.00 0.00 37.83 33.89 1ueq s LYS 26 CO 0.03 0.01 2.25 1.17 -0.36 0.00 0.00 175.35 178.45 1ueq n LYS 27 N -0.79 2.79 -2.92 4.03 3.00 0.38 -4.68 118.16 119.99 1ueq n LYS 27 Ca 0.05 -2.52 -0.18 0.00 -0.00 0.00 0.00 58.31 55.66 1ueq n LYS 27 Cb 0.54 -3.23 0.02 0.00 0.00 0.00 0.00 35.03 32.35 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 3.28 5.54 0.12 3.14 0.15 -1.26 -3.70 113.70 120.97 1ueq s SER 28 Ca 0.49 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1ueq s SER 28 Cb 0.14 -0.68 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 1ueq s SER 28 CO -0.07 -0.88 0.00 0.59 1.20 0.00 0.00 173.24 174.08 1ueq n ASN 29 N -1.99 0.00 -0.06 5.45 4.13 -1.26 -1.24 115.26 120.29 1ueq n ASN 29 Ca 0.08 0.00 0.01 0.00 1.68 0.00 0.00 54.58 56.35 1ueq n ASN 29 Cb 0.59 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.84 1ueq n ASN 29 CO 0.00 0.00 0.00 1.15 0.28 0.00 0.00 177.26 178.69 1ueq n MET 30 N 0.00 0.82 0.00 3.52 0.00 -1.26 -5.10 117.12 115.10 1ueq n MET 30 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 57.70 56.70 1ueq n MET 30 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 33.22 32.19 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 -0.12 -3.19 3.75 3.17 0.00 -0.37 -5.07 105.19 103.36 1ueq n GLY 31 Ca 0.01 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.68 2.42 -0.27 1.61 0.08 -1.26 -4.64 117.98 115.24 1ueq s PHE 32 Ca 0.00 1.50 -0.01 0.00 0.12 0.00 0.00 56.93 58.54 1ueq s PHE 32 Cb 0.00 -3.52 0.18 0.00 -0.57 0.00 0.00 43.02 39.11 1ueq s PHE 32 CO 0.00 -2.25 2.03 0.41 -0.10 0.00 0.00 175.22 175.31 1ueq n GLY 33 N 0.54 3.85 3.33 4.36 0.00 -1.26 -4.84 105.19 111.17 1ueq n GLY 33 Ca 0.13 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.52 0.53 0.17 1.61 -0.12 -1.26 -0.51 117.98 116.88 1ueq s PHE 34 Ca 0.26 -0.88 0.06 0.00 -0.05 0.00 0.00 56.93 56.32 1ueq s PHE 34 Cb 0.21 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.41 1ueq s PHE 34 CO -0.01 -0.71 -0.13 0.95 -0.05 0.00 0.00 175.22 175.27 1ueq s THR 35 N -4.00 1.47 0.28 -4.49 -4.23 0.20 -4.94 115.64 99.93 1ueq s THR 35 Ca 0.21 -2.10 0.09 0.00 -1.18 0.00 0.00 61.69 58.71 1ueq s THR 35 Cb 0.04 -1.92 -0.06 0.00 1.34 0.00 0.00 72.50 71.91 1ueq s THR 35 CO 0.02 -0.64 -0.13 -0.63 -0.54 0.00 0.00 174.62 172.70 1ueq s ILE 36 N -3.03 2.10 0.08 2.99 1.09 -1.26 -0.29 121.20 122.88 1ueq s ILE 36 Ca 0.19 -2.26 0.03 0.00 -1.10 0.00 0.00 60.65 57.51 1ueq s ILE 36 Cb 0.00 -2.38 -0.03 0.00 -1.06 0.00 0.00 42.46 38.99 1ueq s ILE 36 CO 0.04 -0.36 -0.08 -0.51 -0.10 0.00 0.00 174.94 173.92 1ueq s ILE 37 N -2.73 0.74 0.24 2.92 2.07 -0.41 -4.51 121.20 119.53 1ueq s ILE 37 Ca 0.29 -1.56 -0.02 0.00 -1.41 0.00 0.00 60.65 57.95 1ueq s ILE 37 Cb -0.00 -1.23 -0.04 0.00 0.13 0.00 0.00 42.46 41.31 1ueq s ILE 37 CO 0.13 -0.60 0.46 -0.83 -1.91 0.00 0.00 174.94 172.20 1ueq s GLY 38 N -2.36 1.78 0.00 1.50 0.00 -1.26 -2.59 107.32 104.39 1ueq s GLY 38 Ca 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1ueq s GLY 38 CO -0.01 -0.67 0.00 0.61 0.00 0.00 0.00 173.10 173.02 1ueq n GLY 39 N -0.85 -1.92 2.11 0.20 0.00 -1.21 -4.88 105.19 98.64 1ueq n GLY 39 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -1.99 -4.92 1.61 -0.08 -1.26 -5.06 116.55 104.85 1ueq n ASP 40 Ca 0.00 0.43 -0.27 0.00 -1.51 0.00 0.00 54.79 53.44 1ueq n ASP 40 Cb 0.00 2.10 0.05 0.00 2.34 0.00 0.00 41.12 45.61 1ueq n ASP 40 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1ueq s GLU 41 N -1.46 2.61 -0.13 -0.67 0.41 -1.26 -4.82 118.70 113.39 1ueq s GLU 41 Ca 0.00 -0.05 -0.03 0.00 -0.41 0.00 0.00 54.97 54.48 1ueq s GLU 41 Cb 0.00 -2.20 -0.05 0.00 -1.78 0.00 0.00 34.13 30.10 1ueq s GLU 41 CO 0.00 -0.97 2.71 -0.35 -0.49 0.00 0.00 175.26 176.16 1ueq n PRO 42 N -2.78 1.72 -1.80 0.39 -0.04 -1.26 -3.68 135.00 127.55 1ueq n PRO 42 Ca 0.06 -1.01 -0.04 0.00 -0.04 0.00 0.00 63.50 62.47 1ueq n PRO 42 Cb 0.59 -1.65 0.02 0.00 -0.04 0.00 0.00 33.50 32.42 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 1.56 -0.87 -3.89 3.54 -0.08 -1.26 -4.36 116.55 111.18 1ueq n ASP 43 Ca 0.29 -2.09 -0.15 0.00 -1.51 0.00 0.00 54.79 51.33 1ueq n ASP 43 Cb 0.67 0.36 -0.09 0.00 2.34 0.00 0.00 41.12 44.39 1ueq n ASP 43 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1ueq s GLU 44 N -0.19 1.44 -0.39 -0.67 0.41 -1.24 -4.94 118.70 113.11 1ueq s GLU 44 Ca 0.08 -1.79 -0.22 0.00 -0.41 0.00 0.00 54.97 52.62 1ueq s GLU 44 Cb 0.22 0.24 0.01 0.00 -1.78 0.00 0.00 34.13 32.82 1ueq s GLU 44 CO -0.07 -0.48 0.74 -0.06 -0.49 0.00 0.00 175.26 174.91 1ueq s PHE 45 N -3.85 3.08 0.09 1.61 0.08 -1.26 -4.59 117.98 113.14 1ueq s PHE 45 Ca 0.39 0.36 -0.28 0.00 0.12 0.00 0.00 56.93 57.52 1ueq s PHE 45 Cb 0.05 -3.42 -0.06 0.00 -0.57 0.00 0.00 43.02 39.02 1ueq s PHE 45 CO 0.18 -0.79 0.88 -0.51 -0.10 0.00 0.00 175.22 174.88 1ueq s LEU 46 N 3.06 4.48 0.15 -0.37 1.43 -1.26 -3.30 118.68 122.87 1ueq s LEU 46 Ca 0.29 1.66 0.07 0.00 -1.03 0.00 0.00 54.13 55.11 1ueq s LEU 46 Cb -0.13 -3.45 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 1ueq s LEU 46 CO 0.18 -0.03 -0.14 -1.10 0.23 0.00 0.00 176.35 175.49 1ueq s GLN 47 N -0.04 1.15 -0.45 1.70 -0.21 -1.07 -0.97 119.66 119.78 1ueq s GLN 47 Ca 0.43 -1.39 -0.27 0.00 0.02 0.00 0.00 55.36 54.15 1ueq s GLN 47 Cb -0.22 -0.99 -0.03 0.00 1.00 0.00 0.00 33.01 32.76 1ueq s GLN 47 CO 0.27 0.18 2.00 0.08 -2.12 0.00 0.00 175.29 175.70 1ueq s VAL 48 N -2.52 3.28 0.14 1.09 1.01 0.48 -1.28 120.40 122.59 1ueq s VAL 48 Ca 0.15 0.23 -0.19 0.00 0.00 0.00 0.00 61.98 62.16 1ueq s VAL 48 Cb -0.03 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.83 1ueq s VAL 48 CO 0.04 -0.44 1.69 0.50 0.00 0.00 0.00 175.10 176.89 1ueq h LYS 49 N 15.32 -0.00 -2.14 2.72 3.64 -0.88 -1.33 116.57 133.90 1ueq h LYS 49 Ca -0.30 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 1ueq h LYS 49 Cb 1.20 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.84 1ueq h LYS 49 CO 1.11 -0.00 0.26 -1.54 -2.27 0.00 0.00 179.45 177.01 1ueq s SER 50 N -5.21 -0.59 -0.18 4.20 1.04 -1.15 -4.57 113.70 107.25 1ueq s SER 50 Ca -0.14 0.50 -0.07 0.00 0.48 0.00 0.00 55.95 56.73 1ueq s SER 50 Cb 0.11 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 1ueq s SER 50 CO 0.69 -0.64 0.06 -0.69 0.98 0.00 0.00 173.24 173.63 1ueq s VAL 51 N -1.76 4.73 0.01 5.02 1.01 -1.26 -0.63 120.40 127.52 1ueq s VAL 51 Ca -0.07 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1ueq s VAL 51 Cb -0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 1ueq s VAL 51 CO 0.04 0.47 0.99 -0.63 0.00 0.00 0.00 175.10 175.96 1ueq s ILE 52 N 0.33 4.81 -0.03 2.22 1.09 0.33 -4.95 121.20 125.00 1ueq s ILE 52 Ca 0.03 2.03 -0.04 0.00 -1.10 0.00 0.00 60.65 61.58 1ueq s ILE 52 Cb -0.12 -4.30 -0.14 0.00 -1.06 0.00 0.00 42.46 36.83 1ueq s ILE 52 CO 0.00 0.17 2.95 -0.81 -0.10 0.00 0.00 174.94 177.15 1ueq n PRO 53 N 3.83 1.66 -2.66 2.79 -0.04 -1.26 -2.76 135.00 136.56 1ueq n PRO 53 Ca 0.06 -0.73 -0.04 0.00 -0.04 0.00 0.00 63.50 62.76 1ueq n PRO 53 Cb 0.51 -1.64 0.12 0.00 -0.04 0.00 0.00 33.50 32.45 1ueq n PRO 53 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ueq n ASP 54 N 1.99 -1.60 -4.33 3.54 2.03 -1.26 -5.10 116.55 111.82 1ueq n ASP 54 Ca 0.27 -2.28 -0.17 0.00 0.52 0.00 0.00 54.79 53.14 1ueq n ASP 54 Cb 0.74 0.80 -0.10 0.00 -0.72 0.00 0.00 41.12 41.84 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 -1.12 1.61 0.58 0.27 0.00 -1.11 -5.00 107.32 102.54 1ueq s GLY 55 Ca 0.13 -1.80 0.35 0.00 0.00 0.00 0.00 44.72 43.40 1ueq s GLY 55 CO -0.11 -1.66 2.15 -0.56 0.00 0.00 0.00 173.10 172.92 1ueq h PRO 56 N 2.44 0.00 0.75 2.90 0.13 -1.90 -1.62 132.00 134.70 1ueq h PRO 56 Ca -0.38 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1ueq h PRO 56 Cb 1.23 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.36 1ueq h PRO 56 CO 0.64 0.05 -0.36 0.00 -0.23 0.00 0.00 178.00 178.10 1ueq h ALA 57 N 1.95 -1.07 -0.86 -0.56 0.00 -1.90 -2.56 119.26 114.27 1ueq h ALA 57 Ca -0.00 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.80 1ueq h ALA 57 Cb 0.27 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 1ueq h ALA 57 CO 0.01 -1.00 0.49 0.00 0.00 0.00 0.00 179.25 178.75 1ueq h ALA 58 N -1.35 1.25 0.00 0.00 0.00 -1.69 -0.49 119.26 116.98 1ueq h ALA 58 Ca -0.10 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ueq h ALA 58 Cb 0.77 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ueq h ALA 58 CO 0.17 0.08 -0.00 1.96 0.00 0.00 0.00 179.25 181.45 1ueq h GLN 59 N 0.79 0.00 0.00 0.00 4.20 -1.33 -3.15 115.11 115.62 1ueq h GLN 59 Ca 0.43 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.77 1ueq h GLN 59 Cb 0.44 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.15 1ueq h GLN 59 CO -0.27 0.00 -2.35 -3.47 -0.67 0.00 0.00 178.83 172.07 1ueq n ASP 60 N -3.10 0.14 0.00 1.46 2.03 -0.33 -5.00 116.55 111.74 1ueq n ASP 60 Ca -0.01 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1ueq n ASP 60 Cb 0.23 0.87 0.00 0.00 -0.72 0.00 0.00 41.12 41.50 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 1.76 2.75 0.16 0.27 0.00 -0.38 -4.76 105.19 104.99 1ueq n GLY 61 Ca -0.32 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.83 1ueq n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ueq h LYS 62 N 1.20 0.00 -5.41 1.61 6.56 -1.92 -3.38 116.57 115.23 1ueq h LYS 62 Ca 0.00 0.00 -0.63 0.00 -1.06 0.00 0.00 60.65 58.96 1ueq h LYS 62 Cb 0.00 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 31.56 1ueq h LYS 62 CO 0.00 0.00 -0.48 1.41 -2.06 0.00 0.00 179.45 178.32 1ueq s MET 63 N -3.40 3.92 0.37 3.15 1.75 -1.26 -4.88 119.30 118.94 1ueq s MET 63 Ca 0.03 -0.18 0.04 0.00 -1.25 0.00 0.00 55.69 54.33 1ueq s MET 63 Cb 0.09 -3.34 -0.03 0.00 2.84 0.00 0.00 34.83 34.40 1ueq s MET 63 CO 0.42 0.48 0.14 -1.21 -0.65 0.00 0.00 175.02 174.20 1ueq s GLU 64 N -0.15 1.81 0.61 4.11 2.02 -1.26 -4.72 118.70 121.13 1ueq s GLU 64 Ca 0.11 -2.08 -0.16 0.00 0.02 0.00 0.00 54.97 52.86 1ueq s GLU 64 Cb -0.11 -0.43 -0.03 0.00 0.10 0.00 0.00 34.13 33.66 1ueq s GLU 64 CO 0.00 -0.46 1.08 0.99 0.02 0.00 0.00 175.26 176.89 1ueq s THR 65 N -3.33 3.57 -1.12 3.63 2.01 -1.26 -4.14 115.64 115.00 1ueq s THR 65 Ca 0.29 0.76 -0.05 0.00 0.31 0.00 0.00 61.69 63.00 1ueq s THR 65 Cb 0.04 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 1ueq s THR 65 CO 0.16 -0.42 0.91 0.61 -0.69 0.00 0.00 174.62 175.19 1ueq n GLY 66 N -0.73 -0.86 3.22 4.40 0.00 -0.50 -4.92 105.19 105.80 1ueq n GLY 66 Ca 0.09 0.41 -0.20 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.74 1.99 -0.22 1.61 1.01 -1.26 -4.38 116.67 111.68 1ueq s ASP 67 Ca 0.30 -0.69 -0.09 0.00 0.71 0.00 0.00 52.55 52.77 1ueq s ASP 67 Cb -0.05 -0.08 -0.05 0.00 1.01 0.00 0.00 42.92 43.76 1ueq s ASP 67 CO 0.75 -0.07 0.12 -0.69 0.21 0.00 0.00 175.17 175.50 1ueq s VAL 68 N -1.52 5.17 0.06 -1.27 1.01 -1.26 -0.38 120.40 122.21 1ueq s VAL 68 Ca 0.03 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 1ueq s VAL 68 Cb -0.08 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 1ueq s VAL 68 CO 0.03 0.40 1.17 -0.63 0.00 0.00 0.00 175.10 176.07 1ueq s ILE 69 N 0.75 4.12 -0.07 2.22 1.09 -0.14 -2.72 121.20 126.44 1ueq s ILE 69 Ca 0.06 1.53 -0.10 0.00 -1.10 0.00 0.00 60.65 61.05 1ueq s ILE 69 Cb -0.13 -3.98 -0.03 0.00 -1.06 0.00 0.00 42.46 37.26 1ueq s ILE 69 CO 0.02 0.12 -0.19 0.52 -0.10 0.00 0.00 174.94 175.31 1ueq n VAL 70 N 3.87 1.14 -4.28 2.92 0.31 -0.55 -4.46 118.33 117.27 1ueq n VAL 70 Ca 0.08 0.25 -0.17 0.00 -0.01 0.00 0.00 64.34 64.49 1ueq n VAL 70 Cb 0.47 -1.96 -0.10 0.00 -0.91 0.00 0.00 33.84 31.34 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 -2.30 1.48 -0.15 3.52 1.51 -1.22 -1.42 117.35 118.77 1ueq s TYR 71 Ca -0.16 -0.61 -0.00 0.00 -1.01 0.00 0.00 57.07 55.29 1ueq s TYR 71 Cb 0.02 -0.74 0.03 0.00 -0.11 0.00 0.00 41.96 41.17 1ueq s TYR 71 CO 0.23 0.21 -0.07 0.42 -1.11 0.00 0.00 175.55 175.23 1ueq s ILE 72 N -2.71 1.13 0.00 2.71 1.01 -0.56 -2.33 121.20 120.45 1ueq s ILE 72 Ca 0.16 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.28 1ueq s ILE 72 Cb -0.02 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.22 1ueq s ILE 72 CO 0.04 0.23 0.00 0.59 0.00 0.00 0.00 174.94 175.80 1ueq n ASN 73 N 4.89 0.00 -0.18 3.58 3.02 0.48 -1.25 115.26 125.79 1ueq n ASN 73 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1ueq n ASN 73 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 1ueq n ASN 73 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1ueq n GLU 74 N 0.00 0.00 -3.73 3.52 0.28 -1.26 -4.86 120.64 114.59 1ueq n GLU 74 Ca 0.00 -0.57 -0.37 0.00 -0.16 0.00 0.00 57.16 56.07 1ueq n GLU 74 Cb 0.00 -0.41 -0.12 0.00 1.43 0.00 0.00 31.44 32.34 1ueq n GLU 74 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1ueq s VAL 75 N 0.00 4.63 -0.48 3.84 1.01 -0.38 -5.06 120.40 123.96 1ueq s VAL 75 Ca 0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.64 1ueq s VAL 75 Cb 0.00 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 1ueq s VAL 75 CO 0.00 0.32 1.80 0.00 0.00 0.00 0.00 175.10 177.23 1ueq n VAL 77 N 7.29 0.35 0.25 0.00 0.24 -0.51 -4.58 118.33 121.38 1ueq n VAL 77 Ca 0.21 -0.68 0.16 0.00 -2.04 0.00 0.00 64.34 62.00 1ueq n VAL 77 Cb 0.50 1.12 0.85 0.00 -1.47 0.00 0.00 33.84 34.84 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 4.24 0.00 -4.02 1.34 8.10 -1.59 0.12 115.31 123.50 1ueq h LEU 78 Ca 0.00 0.00 -0.25 0.00 0.11 0.00 0.00 57.88 57.74 1ueq h LEU 78 Cb 0.94 0.00 -0.34 0.00 -0.44 0.00 0.00 40.66 40.82 1ueq h LEU 78 CO 0.00 0.00 -0.94 0.61 -4.11 0.00 0.00 178.44 174.00 1ueq n GLY 79 N -1.20 3.03 3.92 0.17 0.00 -1.26 -4.48 105.19 105.37 1ueq n GLY 79 Ca -0.02 -1.37 -0.20 0.00 0.00 0.00 0.00 46.02 44.43 1ueq n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ueq s HIS 80 N -2.61 2.98 0.48 1.61 3.76 0.41 -4.53 115.29 117.39 1ueq s HIS 80 Ca 0.36 -0.28 -0.04 0.00 -0.15 0.00 0.00 55.06 54.95 1ueq s HIS 80 Cb 0.37 -1.94 -0.02 0.00 1.11 0.00 0.00 32.58 32.10 1ueq s HIS 80 CO -0.07 0.05 0.76 -0.08 -0.85 0.00 0.00 174.74 174.55 1ueq s THR 81 N -2.26 4.55 -0.26 1.30 -1.32 -1.26 -4.56 115.64 111.83 1ueq s THR 81 Ca 0.44 -0.04 0.21 0.00 -1.21 0.00 0.00 61.69 61.08 1ueq s THR 81 Cb -0.08 -3.72 0.21 0.00 -1.51 0.00 0.00 72.50 67.40 1ueq s THR 81 CO 0.29 -0.65 1.64 1.57 -2.21 0.00 0.00 174.62 175.26 1ueq n HIS 82 N -2.23 0.71 0.09 9.09 -0.00 -1.26 -1.41 115.22 120.21 1ueq n HIS 82 Ca 0.01 0.36 -0.04 0.00 0.46 0.00 0.00 57.72 58.51 1ueq n HIS 82 Cb 0.56 -1.08 -0.02 0.00 -0.12 0.00 0.00 29.99 29.33 1ueq n HIS 82 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ueq h ALA 83 N 2.03 -0.81 -0.57 1.57 0.00 -1.94 -2.13 119.26 117.40 1ueq h ALA 83 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1ueq h ALA 83 Cb 0.03 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1ueq h ALA 83 CO 0.00 -0.79 0.27 0.22 0.00 0.00 0.00 179.25 178.95 1ueq h ASP 84 N -0.31 0.36 -0.68 0.00 3.58 -1.87 -0.63 116.42 116.85 1ueq h ASP 84 Ca -0.03 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.43 1ueq h ASP 84 Cb 0.19 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.20 1ueq h ASP 84 CO 0.04 0.23 0.28 0.58 -2.88 0.00 0.00 179.24 177.50 1ueq h VAL 85 N 0.50 1.24 -0.47 2.25 2.07 -1.37 0.19 116.25 120.67 1ueq h VAL 85 Ca 0.27 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 1ueq h VAL 85 Cb 0.23 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1ueq h VAL 85 CO -0.21 0.30 -0.05 0.58 0.02 0.00 0.00 177.57 178.20 1ueq h VAL 86 N 0.97 1.25 -0.75 2.57 2.07 -0.94 -1.49 116.25 119.93 1ueq h VAL 86 Ca 0.23 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 1ueq h VAL 86 Cb 0.20 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1ueq h VAL 86 CO -0.02 0.38 0.30 0.07 0.02 0.00 0.00 177.57 178.32 1ueq h LYS 87 N 0.74 1.10 0.07 1.57 5.09 0.28 0.29 116.57 125.72 1ueq h LYS 87 Ca 0.13 -0.19 0.00 0.00 0.09 0.00 0.00 60.65 60.69 1ueq h LYS 87 Cb 0.53 -0.18 -0.01 0.00 0.10 0.00 0.00 32.23 32.67 1ueq h LYS 87 CO 0.03 0.89 -0.06 -0.07 -2.09 0.00 0.00 179.45 178.15 1ueq h LEU 88 N 1.08 -0.16 -0.46 7.07 3.38 -0.38 -0.08 115.31 125.76 1ueq h LEU 88 Ca 0.25 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.16 1ueq h LEU 88 Cb 0.19 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1ueq h LEU 88 CO -0.02 -0.10 -0.02 -0.26 0.09 0.00 0.00 178.44 178.13 1ueq h PHE 89 N -0.15 0.91 -0.04 1.13 0.04 -0.84 -2.93 116.94 115.05 1ueq h PHE 89 Ca 0.00 -0.16 -0.09 0.00 2.80 0.00 0.00 57.97 60.52 1ueq h PHE 89 Cb 0.14 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 1ueq h PHE 89 CO -0.10 0.88 -0.40 1.96 -0.60 0.00 0.00 178.31 180.04 1ueq h GLN 90 N 0.68 0.09 0.00 1.51 4.20 -0.81 -2.90 115.11 117.88 1ueq h GLN 90 Ca 0.13 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1ueq h GLN 90 Cb 0.52 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1ueq h GLN 90 CO 0.03 0.48 0.00 -1.13 -0.67 0.00 0.00 178.83 177.54 1ueq n SER 91 N -4.05 0.00 -4.60 1.46 3.41 -0.06 -4.61 113.62 105.18 1ueq n SER 91 Ca -0.02 -0.25 -0.42 0.00 -0.26 0.00 0.00 58.87 57.92 1ueq n SER 91 Cb 0.45 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 1ueq n SER 91 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ueq s VAL 92 N -2.25 4.62 1.01 -3.33 1.01 -1.10 -5.06 120.40 115.30 1ueq s VAL 92 Ca 0.20 1.17 -0.17 0.00 0.00 0.00 0.00 61.98 63.18 1ueq s VAL 92 Cb 0.11 -4.31 0.23 0.00 0.00 0.00 0.00 36.38 32.40 1ueq s VAL 92 CO 0.21 -0.50 1.32 -2.16 0.00 0.00 0.00 175.10 173.96 1ueq s PRO 93 N 3.39 0.24 0.68 2.72 0.04 -1.26 -5.02 135.00 135.79 1ueq s PRO 93 Ca 0.37 -0.44 -0.17 0.00 0.04 0.00 0.00 61.00 60.80 1ueq s PRO 93 Cb -0.12 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.62 1ueq s PRO 93 CO 0.18 -2.68 1.23 0.42 0.04 0.00 0.00 177.00 176.19 1ueq s ILE 94 N -3.83 2.29 0.00 0.56 1.01 -1.26 -3.20 121.20 116.77 1ueq s ILE 94 Ca 0.75 0.16 0.00 0.00 0.00 0.00 0.00 60.65 61.56 1ueq s ILE 94 Cb -0.03 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.54 1ueq s ILE 94 CO 0.54 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 176.03 1ueq n GLY 95 N 0.57 2.86 3.79 6.18 0.00 -1.24 -5.00 105.19 112.35 1ueq n GLY 95 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.13 4.44 0.11 1.61 -1.52 -1.19 -4.72 119.66 118.25 1ueq s GLN 96 Ca 0.00 1.06 0.06 0.00 -1.95 0.00 0.00 55.36 54.53 1ueq s GLN 96 Cb 0.00 -3.06 -0.04 0.00 -0.22 0.00 0.00 33.01 29.69 1ueq s GLN 96 CO 0.00 0.47 -0.04 -1.54 -0.25 0.00 0.00 175.29 173.93 1ueq s SER 97 N -1.40 4.75 -0.01 5.90 1.04 -1.26 -0.47 113.70 122.25 1ueq s SER 97 Ca 0.40 -0.28 -0.02 0.00 0.48 0.00 0.00 55.95 56.53 1ueq s SER 97 Cb -0.20 -1.03 0.00 0.00 0.10 0.00 0.00 66.02 64.89 1ueq s SER 97 CO 0.24 0.17 0.04 0.68 0.98 0.00 0.00 173.24 175.35 1ueq s VAL 98 N -1.32 0.01 0.46 5.02 -7.23 -0.65 -4.97 120.40 111.73 1ueq s VAL 98 Ca 0.24 -0.10 -0.11 0.00 -1.81 0.00 0.00 61.98 60.20 1ueq s VAL 98 Cb -0.11 -0.10 -0.06 0.00 0.56 0.00 0.00 36.38 36.66 1ueq s VAL 98 CO 0.17 -0.06 0.85 0.20 -0.31 0.00 0.00 175.10 175.95 1ueq s ASN 99 N -0.15 6.48 0.01 4.85 0.01 -1.26 -1.41 114.94 123.46 1ueq s ASN 99 Ca -0.02 1.24 -0.04 0.00 -0.71 0.00 0.00 52.86 53.33 1ueq s ASN 99 Cb -0.01 -2.37 -0.01 0.00 0.41 0.00 0.00 41.25 39.26 1ueq s ASN 99 CO 0.00 -0.52 0.06 -0.76 -1.51 0.00 0.00 177.10 174.37 1ueq s LEU 100 N -4.17 1.86 -0.07 0.60 1.43 -0.72 -0.39 118.68 117.23 1ueq s LEU 100 Ca 0.53 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1ueq s LEU 100 Cb -0.10 0.42 0.02 0.00 0.03 0.00 0.00 46.19 46.56 1ueq s LEU 100 CO 0.36 -0.34 -0.07 -0.69 0.23 0.00 0.00 176.35 175.83 1ueq s VAL 101 N -1.44 0.84 0.40 -1.59 1.01 -0.98 -2.91 120.40 115.72 1ueq s VAL 101 Ca -0.15 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 61.64 1ueq s VAL 101 Cb -0.09 -0.84 -0.08 0.00 0.00 0.00 0.00 36.38 35.38 1ueq s VAL 101 CO 0.00 0.31 0.01 -0.76 0.00 0.00 0.00 175.10 174.66 1ueq s LEU 102 N 1.13 2.88 -0.11 3.92 1.43 -0.64 -1.49 118.68 125.79 1ueq s LEU 102 Ca -0.07 -1.34 -0.01 0.00 -1.03 0.00 0.00 54.13 51.68 1ueq s LEU 102 Cb -0.14 -0.94 0.04 0.00 0.03 0.00 0.00 46.19 45.17 1ueq s LEU 102 CO -0.01 -0.43 -0.01 0.00 0.23 0.00 0.00 176.35 176.13 1ueq s ARG 104 N 1.86 4.47 0.00 0.00 3.52 0.80 -4.07 118.95 125.52 1ueq s ARG 104 Ca 0.03 1.04 0.00 0.00 -0.13 0.00 0.00 55.73 56.67 1ueq s ARG 104 Cb -0.14 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 1ueq s ARG 104 CO -0.07 0.56 0.00 0.41 -0.81 0.00 0.00 175.30 175.39 1ueq n GLY 105 N 1.71 1.14 3.61 8.12 0.00 -1.26 -2.69 105.19 115.82 1ueq n GLY 105 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 3.23 1.25 1.61 2.02 -1.26 -5.08 117.35 117.12 1ueq s TYR 106 Ca 0.00 0.74 -0.20 0.00 -0.37 0.00 0.00 57.07 57.24 1ueq s TYR 106 Cb 0.00 -3.04 0.30 0.00 -0.40 0.00 0.00 41.96 38.83 1ueq s TYR 106 CO 0.00 -0.47 1.06 -1.25 -1.57 0.00 0.00 175.55 173.32 1ueq s PRO 107 N 2.71 -1.60 0.58 -1.71 0.04 -1.26 -4.44 135.00 129.33 1ueq s PRO 107 Ca 0.28 0.06 -0.19 0.00 0.04 0.00 0.00 61.00 61.19 1ueq s PRO 107 Cb -0.15 -1.54 -0.06 0.00 0.04 0.00 0.00 34.50 32.80 1ueq s PRO 107 CO 0.11 -3.98 0.94 1.28 0.04 0.00 0.00 177.00 175.38 1ueq n LEU 108 N -4.98 3.39 -4.69 -3.56 4.77 -1.26 -4.81 117.00 105.85 1ueq n LEU 108 Ca 0.12 0.82 -0.42 0.00 -0.03 0.00 0.00 56.01 56.50 1ueq n LEU 108 Cb 0.59 -1.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.28 1ueq n LEU 108 CO 0.46 -1.91 1.17 -2.16 -1.33 0.00 0.00 177.39 173.62 1ueq s PRO 109 N -2.64 4.26 0.24 3.23 0.04 -1.26 -5.00 135.00 133.88 1ueq s PRO 109 Ca 0.74 2.10 -0.30 0.00 0.04 0.00 0.00 61.00 63.58 1ueq s PRO 109 Cb -0.43 -3.50 -0.10 0.00 0.04 0.00 0.00 34.50 30.51 1ueq s PRO 109 CO 0.49 -0.59 1.41 0.12 0.04 0.00 0.00 177.00 178.46 1ueq s PHE 110 N 2.17 3.07 -0.48 0.56 5.36 -1.26 -5.01 117.98 122.38 1ueq s PHE 110 Ca 0.67 1.09 0.03 0.00 -0.96 0.00 0.00 56.93 57.76 1ueq s PHE 110 Cb -0.35 -3.77 0.12 0.00 -0.34 0.00 0.00 43.02 38.69 1ueq s PHE 110 CO 0.29 -2.46 0.22 -0.51 -1.46 0.00 0.00 175.22 171.30 1ueq s ASP 111 N 0.31 4.49 0.40 6.13 1.01 -1.26 -4.97 116.67 122.78 1ueq s ASP 111 Ca 0.58 -2.79 0.29 0.00 0.71 0.00 0.00 52.55 51.34 1ueq s ASP 111 Cb -0.41 -1.65 1.36 0.00 1.01 0.00 0.00 42.92 43.23 1ueq s ASP 111 CO 0.43 -0.28 1.86 1.55 0.21 0.00 0.00 175.17 178.94 1ueq h PRO 112 N 6.82 0.00 -0.60 8.23 0.13 -2.06 -2.94 132.00 141.58 1ueq h PRO 112 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1ueq h PRO 112 Cb 0.93 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.03 1ueq h PRO 112 CO 0.65 0.00 0.38 0.93 -0.23 0.00 0.00 178.00 179.73 1ueq h GLU 113 N 0.00 0.80 -5.00 0.86 4.39 -2.04 -3.49 114.58 110.11 1ueq h GLU 113 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1ueq h GLU 113 Cb 0.23 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1ueq h GLU 113 CO 0.00 0.55 -0.56 -0.25 -1.16 0.00 0.00 179.01 177.59 1ueq n ASP 114 N -4.65 -5.24 0.00 1.42 8.00 -1.11 -4.86 116.55 110.10 1ueq n ASP 114 Ca 0.04 0.42 0.05 0.00 0.71 0.00 0.00 54.79 56.01 1ueq n ASP 114 Cb 0.03 -1.19 0.22 0.00 -0.02 0.00 0.00 41.12 40.16 1ueq n ASP 114 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1ueq n PRO 115 N 1.39 0.05 0.00 -0.24 -0.04 -1.26 -4.78 135.00 130.12 1ueq n PRO 115 Ca 0.00 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 1ueq n PRO 115 Cb 0.28 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.42 0.00 -0.80 0.55 0.00 -1.26 -5.14 120.51 112.44 1ueq n ALA 116 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.57 1ueq n ALA 116 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 0.00 -4.46 -3.47 0.00 3.02 -1.26 -5.09 115.26 104.00 1ueq n ASN 117 Ca 0.00 0.76 -0.13 0.00 -0.03 0.00 0.00 54.58 55.18 1ueq n ASN 117 Cb 0.00 -2.72 -0.03 0.00 -0.61 0.00 0.00 39.78 36.42 1ueq n ASN 117 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ueq s SER 118 N -5.92 -0.54 0.00 6.41 1.04 -1.26 -5.15 113.70 108.28 1ueq s SER 118 Ca 0.00 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1ueq s SER 118 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1ueq s SER 118 CO 0.00 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1ueq n GLY 119 N -0.13 2.29 0.56 7.32 0.00 -1.26 -5.11 105.19 108.86 1ueq n GLY 119 Ca -0.17 -1.57 -0.05 0.00 0.00 0.00 0.00 46.02 44.23 1ueq n GLY 119 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ueq n PRO 120 N 1.76 -0.84 -1.83 1.61 -0.04 -1.26 -4.89 135.00 129.51 1ueq n PRO 120 Ca 0.00 -0.29 -0.21 0.00 -0.04 0.00 0.00 63.50 62.96 1ueq n PRO 120 Cb 0.00 -0.23 -0.08 0.00 -0.04 0.00 0.00 33.50 33.14 1ueq n PRO 120 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ueq s SER 121 N -1.87 4.25 0.35 3.54 1.04 -1.26 -4.85 113.70 114.90 1ueq s SER 121 Ca 0.11 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1ueq s SER 121 Cb -0.01 -2.59 -0.00 0.00 0.10 0.00 0.00 66.02 63.52 1ueq s SER 121 CO 0.08 -3.86 0.45 -0.94 0.98 0.00 0.00 173.24 169.94 1ueq s SER 122 N 7.79 1.21 0.00 7.02 1.04 -1.26 -5.35 113.70 124.14 1ueq s SER 122 Ca 0.76 -1.60 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1ueq s SER 122 Cb -0.04 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1ueq s SER 122 CO 0.14 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.69