#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 0.86 -0.08 1.61 0.01 -1.26 -5.07 113.70 109.77 1ueq s SER 2 Ca 0.00 1.33 -0.01 0.00 1.31 0.00 0.00 55.95 58.59 1ueq s SER 2 Cb 0.00 -2.06 0.03 0.00 0.21 0.00 0.00 66.02 64.20 1ueq s SER 2 CO 0.00 -4.25 -0.03 -0.55 0.41 0.00 0.00 173.24 168.82 1ueq s SER 3 N -2.76 1.64 0.00 2.44 0.15 -1.26 -5.08 113.70 108.83 1ueq s SER 3 Ca 0.68 -0.14 -0.11 0.00 0.70 0.00 0.00 55.95 57.07 1ueq s SER 3 Cb -0.22 -0.54 -0.06 0.00 -1.71 0.00 0.00 66.02 63.48 1ueq s SER 3 CO 0.63 -0.15 0.83 1.23 1.20 0.00 0.00 173.24 176.98 1ueq h GLY 4 N 8.10 -0.43 -6.53 9.45 0.00 -2.08 -3.40 103.07 108.19 1ueq h GLY 4 Ca -0.25 0.16 -0.60 0.00 0.00 0.00 0.00 47.33 46.64 1ueq h GLY 4 CO 0.33 -0.16 -0.75 -1.26 0.00 0.00 0.00 176.54 174.71 1ueq n SER 5 N -3.52 2.01 -4.77 0.19 2.88 -1.26 -5.09 113.62 104.06 1ueq n SER 5 Ca -0.05 -3.01 -0.41 0.00 -1.33 0.00 0.00 58.87 54.07 1ueq n SER 5 Cb 0.16 -0.67 -0.02 0.00 -0.75 0.00 0.00 64.21 62.93 1ueq n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ueq s SER 6 N -1.35 6.64 0.01 -3.46 0.15 -1.26 -5.00 113.70 109.43 1ueq s SER 6 Ca 0.32 2.75 -0.15 0.00 0.70 0.00 0.00 55.95 59.57 1ueq s SER 6 Cb 0.06 -2.65 -0.06 0.00 -1.71 0.00 0.00 66.02 61.66 1ueq s SER 6 CO -0.13 -0.63 0.43 -0.83 1.20 0.00 0.00 173.24 173.28 1ueq s GLY 7 N -0.45 2.50 0.22 9.45 0.00 -1.26 -4.95 107.32 112.83 1ueq s GLY 7 Ca 0.50 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 45.04 1ueq s GLY 7 CO 0.54 0.19 0.00 -0.10 0.00 0.00 0.00 173.10 173.73 1ueq n LEU 8 N 1.83 -0.48 -4.77 0.66 -0.00 -1.26 -5.10 117.00 107.87 1ueq n LEU 8 Ca -0.13 0.38 -0.33 0.00 -0.00 0.00 0.00 56.01 55.92 1ueq n LEU 8 Cb 0.52 0.62 0.05 0.00 -0.00 0.00 0.00 43.42 44.61 1ueq n LEU 8 CO 0.38 -0.60 0.74 0.12 -0.00 0.00 0.00 177.39 178.02 1ueq s PHE 9 N -1.66 2.62 0.00 1.96 2.19 -1.26 -5.08 117.98 116.75 1ueq s PHE 9 Ca 0.00 1.55 0.00 0.00 0.33 0.00 0.00 56.93 58.81 1ueq s PHE 9 Cb 0.00 -3.15 0.00 0.00 -1.31 0.00 0.00 43.02 38.56 1ueq s PHE 9 CO 0.00 -1.70 0.00 2.41 1.83 0.00 0.00 175.22 177.76 1ueq n THR 10 N -2.56 0.00 0.00 0.12 -1.04 -1.26 -5.04 114.28 104.49 1ueq n THR 10 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1ueq n THR 10 Cb 0.52 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 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 -0.16 -2.82 1.74 -1.26 -4.93 116.66 109.23 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 0.00 0.00 0.55 2.03 -1.26 -5.01 116.55 112.86 1ueq n ASP 12 Ca 0.00 -1.23 0.00 0.00 0.52 0.00 0.00 54.79 54.08 1ueq n ASP 12 Cb 0.00 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 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 0.00 0.00 0.28 -1.67 0.00 -1.26 -4.81 120.51 113.06 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 0.55 -1.21 0.12 0.00 0.00 0.00 0.00 19.45 18.91 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 1.18 0.00 0.87 -1.97 -3.18 113.55 110.45 1ueq h SER 14 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1ueq h SER 14 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1ueq h SER 14 CO 0.00 0.02 0.00 1.56 -0.53 0.00 0.00 176.83 177.88 1ueq h GLN 15 N 0.00 0.00 -7.16 2.24 4.20 -1.96 -3.46 115.11 108.97 1ueq h GLN 15 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1ueq h GLN 15 Cb 0.92 0.00 0.19 0.00 0.30 0.00 0.00 27.48 28.89 1ueq h GLN 15 CO 0.00 0.00 0.17 1.28 -0.67 0.00 0.00 178.83 179.61 1ueq n LEU 16 N -2.83 3.41 -3.75 1.46 4.77 -1.20 -5.00 117.00 113.85 1ueq n LEU 16 Ca 0.02 0.50 -0.30 0.00 -0.03 0.00 0.00 56.01 56.20 1ueq n LEU 16 Cb 0.34 -1.46 -0.14 0.00 -2.33 0.00 0.00 43.42 39.84 1ueq n LEU 16 CO 0.27 -2.12 -0.27 -0.54 -1.33 0.00 0.00 177.39 173.40 1ueq s LYS 17 N -4.20 1.19 0.00 3.23 -0.14 -1.26 -5.01 119.74 113.54 1ueq s LYS 17 Ca 0.69 -1.79 0.00 0.00 -1.36 0.00 0.00 55.97 53.51 1ueq s LYS 17 Cb -0.26 -2.36 0.00 0.00 -1.68 0.00 0.00 37.83 33.53 1ueq s LYS 17 CO 0.55 -1.10 0.00 0.41 -0.76 0.00 0.00 175.35 174.45 1ueq n GLY 18 N 3.90 -0.54 3.01 -3.33 0.00 -1.26 -4.54 105.19 102.44 1ueq n GLY 18 Ca 0.05 0.25 -0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 0.47 0.13 2.61 2.01 -1.08 -5.00 115.64 114.78 1ueq s THR 19 Ca 0.00 -0.70 -0.15 0.00 0.31 0.00 0.00 61.69 61.15 1ueq s THR 19 Cb 0.00 -0.48 -0.07 0.00 0.01 0.00 0.00 72.50 71.96 1ueq s THR 19 CO 0.00 -0.17 0.54 -0.36 -0.69 0.00 0.00 174.62 173.94 1ueq s PHE 20 N -0.84 3.63 0.35 4.92 0.40 -1.26 -0.57 117.98 124.61 1ueq s PHE 20 Ca -0.05 1.07 0.09 0.00 -0.60 0.00 0.00 56.93 57.44 1ueq s PHE 20 Cb -0.07 -2.37 -0.07 0.00 0.51 0.00 0.00 43.02 41.03 1ueq s PHE 20 CO 0.00 0.46 -0.08 -0.51 0.70 0.00 0.00 175.22 175.79 1ueq s LEU 21 N -1.83 2.75 0.13 -0.37 2.01 0.01 -4.93 118.68 116.45 1ueq s LEU 21 Ca 0.36 -1.23 -0.09 0.00 0.01 0.00 0.00 54.13 53.19 1ueq s LEU 21 Cb -0.15 -0.98 -0.01 0.00 0.01 0.00 0.00 46.19 45.06 1ueq s LEU 21 CO 0.19 -0.25 0.24 -0.94 1.01 0.00 0.00 176.35 176.60 1ueq s SER 22 N -3.62 0.08 0.09 2.29 1.04 -1.26 -1.50 113.70 110.81 1ueq s SER 22 Ca 0.33 -0.77 -0.19 0.00 0.48 0.00 0.00 55.95 55.80 1ueq s SER 22 Cb 0.04 0.39 0.04 0.00 0.10 0.00 0.00 66.02 66.59 1ueq s SER 22 CO 0.17 -0.81 0.45 0.28 0.98 0.00 0.00 173.24 174.30 1ueq s THR 23 N -3.92 0.05 -0.27 2.02 -1.32 -0.98 -4.99 115.64 106.23 1ueq s THR 23 Ca 0.12 -0.42 0.03 0.00 -1.21 0.00 0.00 61.69 60.21 1ueq s THR 23 Cb 0.04 -1.05 0.07 0.00 -1.51 0.00 0.00 72.50 70.05 1ueq s THR 23 CO -0.05 -0.23 -0.08 -0.89 -2.21 0.00 0.00 174.62 171.16 1ueq s THR 24 N -3.15 2.18 -0.12 5.08 2.01 -1.26 -1.10 115.64 119.27 1ueq s THR 24 Ca -0.01 -1.76 -0.12 0.00 0.31 0.00 0.00 61.69 60.11 1ueq s THR 24 Cb 0.00 -2.34 -0.05 0.00 0.01 0.00 0.00 72.50 70.12 1ueq s THR 24 CO -0.07 -0.13 0.25 -0.76 -0.69 0.00 0.00 174.62 173.22 1ueq s LEU 25 N 1.07 4.32 0.41 4.42 1.43 -0.63 -4.91 118.68 124.80 1ueq s LEU 25 Ca -0.05 0.55 -0.18 0.00 -1.03 0.00 0.00 54.13 53.42 1ueq s LEU 25 Cb -0.20 -2.30 -0.09 0.00 0.03 0.00 0.00 46.19 43.63 1ueq s LEU 25 CO -0.06 0.23 0.88 -0.75 0.23 0.00 0.00 176.35 176.89 1ueq s LYS 26 N -0.23 4.07 -0.66 1.70 2.20 -1.26 -1.68 119.74 123.88 1ueq s LYS 26 Ca 0.16 0.90 -0.24 0.00 -0.36 0.00 0.00 55.97 56.43 1ueq s LYS 26 Cb -0.13 -2.26 0.05 0.00 -1.51 0.00 0.00 37.83 33.98 1ueq s LYS 26 CO 0.05 -0.02 1.05 0.21 -0.36 0.00 0.00 175.35 176.28 1ueq s LYS 27 N -3.34 3.17 0.04 4.03 2.20 0.60 -4.90 119.74 121.55 1ueq s LYS 27 Ca 0.58 -0.56 -0.26 0.00 -0.36 0.00 0.00 55.97 55.36 1ueq s LYS 27 Cb -0.10 -4.18 -0.17 0.00 -1.51 0.00 0.00 37.83 31.87 1ueq s LYS 27 CO 0.19 -1.86 1.44 1.03 -0.36 0.00 0.00 175.35 175.79 1ueq h SER 28 N 9.66 -0.33 0.00 1.43 0.87 -1.88 -3.05 113.55 120.25 1ueq h SER 28 Ca -0.28 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1ueq h SER 28 Cb 1.06 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1ueq h SER 28 CO 1.20 -0.07 0.00 -3.20 -0.53 0.00 0.00 176.83 174.23 1ueq n ASN 29 N -5.17 0.00 -0.33 6.23 5.15 -1.26 -4.73 115.26 115.15 1ueq n ASN 29 Ca -0.10 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.00 1ueq n ASN 29 Cb 0.23 0.43 0.30 0.00 -0.53 0.00 0.00 39.78 40.22 1ueq n ASN 29 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ueq h MET 30 N 0.00 0.66 0.00 1.20 -0.00 -2.01 -3.44 114.93 111.35 1ueq h MET 30 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 1ueq h MET 30 Cb 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 31.60 31.45 1ueq h MET 30 CO 0.00 0.44 0.00 0.41 -0.00 0.00 0.00 176.91 177.76 1ueq n GLY 31 N -1.33 -0.07 3.23 -3.00 0.00 -1.26 -5.11 105.19 97.66 1ueq n GLY 31 Ca 0.22 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 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 1.68 -0.12 1.61 0.08 -1.26 -4.08 117.98 115.90 1ueq s PHE 32 Ca 0.00 -0.38 -0.04 0.00 0.12 0.00 0.00 56.93 56.63 1ueq s PHE 32 Cb 0.00 -0.99 -0.11 0.00 -0.57 0.00 0.00 43.02 41.35 1ueq s PHE 32 CO 0.00 0.10 2.98 0.41 -0.10 0.00 0.00 175.22 178.60 1ueq n GLY 33 N 1.74 3.25 3.33 4.36 0.00 -1.26 -4.75 105.19 111.86 1ueq n GLY 33 Ca -0.18 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 1ueq n GLY 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ueq s PHE 34 N 0.02 0.27 0.26 1.61 -0.71 -1.26 -1.43 117.98 116.73 1ueq s PHE 34 Ca 0.48 -0.64 0.07 0.00 -1.04 0.00 0.00 56.93 55.79 1ueq s PHE 34 Cb 0.26 0.00 -0.05 0.00 -1.21 0.00 0.00 43.02 42.02 1ueq s PHE 34 CO -0.04 -0.71 -0.08 0.95 -1.34 0.00 0.00 175.22 174.00 1ueq s THR 35 N -3.93 1.64 0.19 -4.49 -4.23 -0.58 -4.96 115.64 99.27 1ueq s THR 35 Ca 0.13 -2.14 0.08 0.00 -1.18 0.00 0.00 61.69 58.58 1ueq s THR 35 Cb 0.03 -2.34 -0.05 0.00 1.34 0.00 0.00 72.50 71.49 1ueq s THR 35 CO -0.03 -0.38 -0.15 -0.63 -0.54 0.00 0.00 174.62 172.89 1ueq s ILE 36 N -3.02 1.71 0.03 2.99 1.09 -1.26 -0.63 121.20 122.11 1ueq s ILE 36 Ca 0.28 -2.13 0.05 0.00 -1.10 0.00 0.00 60.65 57.75 1ueq s ILE 36 Cb 0.03 -1.97 -0.02 0.00 -1.06 0.00 0.00 42.46 39.43 1ueq s ILE 36 CO 0.10 -0.54 -0.15 -0.51 -0.10 0.00 0.00 174.94 173.74 1ueq s ILE 37 N -2.77 1.19 0.02 2.92 2.07 -0.47 -4.65 121.20 119.50 1ueq s ILE 37 Ca 0.20 -0.98 -0.02 0.00 -1.41 0.00 0.00 60.65 58.44 1ueq s ILE 37 Cb -0.02 -1.06 -0.02 0.00 0.13 0.00 0.00 42.46 41.50 1ueq s ILE 37 CO 0.06 0.06 0.00 -0.83 -1.91 0.00 0.00 174.94 172.33 1ueq s GLY 38 N -1.06 0.23 0.00 1.50 0.00 -1.26 -1.47 107.32 105.26 1ueq s GLY 38 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.15 1ueq s GLY 38 CO 0.01 -0.69 0.95 0.61 0.00 0.00 0.00 173.10 173.98 1ueq n GLY 39 N 1.32 -2.81 0.38 0.20 0.00 -1.26 -4.85 105.19 98.17 1ueq n GLY 39 Ca -0.22 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.27 0.00 -4.70 1.61 2.03 -1.26 -5.12 116.55 106.84 1ueq n ASP 40 Ca 0.00 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.07 1ueq n ASP 40 Cb 0.00 0.09 -0.07 0.00 -0.72 0.00 0.00 41.12 40.42 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 -1.56 2.25 -1.46 -0.67 2.02 -1.26 -4.91 118.70 113.11 1ueq s GLU 41 Ca 0.00 -1.66 -0.13 0.00 0.02 0.00 0.00 54.97 53.20 1ueq s GLU 41 Cb 0.00 -2.06 -0.01 0.00 0.10 0.00 0.00 34.13 32.16 1ueq s GLU 41 CO 0.00 0.09 2.43 -0.35 0.02 0.00 0.00 175.26 177.45 1ueq n PRO 42 N -1.09 3.02 0.00 0.39 -0.04 -1.26 -2.67 135.00 133.34 1ueq n PRO 42 Ca -0.03 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.01 1ueq n PRO 42 Cb 0.62 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 30.98 1ueq n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ueq n ASP 43 N 5.37 0.00 -4.84 3.54 8.00 -0.39 -4.70 116.55 123.53 1ueq n ASP 43 Ca 0.60 -0.79 -0.37 0.00 0.71 0.00 0.00 54.79 54.94 1ueq n ASP 43 Cb 0.34 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.37 1ueq n ASP 43 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1ueq s GLU 44 N 0.00 3.68 0.09 -1.24 2.02 -1.09 -4.59 118.70 117.57 1ueq s GLU 44 Ca 0.00 -0.10 -0.31 0.00 0.02 0.00 0.00 54.97 54.58 1ueq s GLU 44 Cb 0.00 -3.26 -0.11 0.00 0.10 0.00 0.00 34.13 30.87 1ueq s GLU 44 CO 0.00 0.64 1.87 1.19 0.02 0.00 0.00 175.26 178.98 1ueq n PHE 45 N 2.39 2.56 -2.77 1.61 3.72 -1.26 -4.31 117.46 119.40 1ueq n PHE 45 Ca -0.18 -0.18 -0.42 0.00 -0.05 0.00 0.00 57.45 56.62 1ueq n PHE 45 Cb 0.54 -2.74 -0.03 0.00 -0.94 0.00 0.00 39.48 36.31 1ueq n PHE 45 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1ueq s LEU 46 N 3.20 4.33 0.07 4.37 1.43 -1.26 -4.23 118.68 126.59 1ueq s LEU 46 Ca 0.84 1.53 0.03 0.00 -1.03 0.00 0.00 54.13 55.51 1ueq s LEU 46 Cb -0.49 -3.47 -0.03 0.00 0.03 0.00 0.00 46.19 42.23 1ueq s LEU 46 CO 0.40 -0.28 -0.10 -1.10 0.23 0.00 0.00 176.35 175.50 1ueq s GLN 47 N 1.22 0.71 -0.17 1.70 -0.21 -0.54 -1.16 119.66 121.21 1ueq s GLN 47 Ca 0.48 -0.98 -0.29 0.00 0.02 0.00 0.00 55.36 54.60 1ueq s GLN 47 Cb -0.20 -0.46 -0.05 0.00 1.00 0.00 0.00 33.01 33.30 1ueq s GLN 47 CO 0.24 0.08 2.03 0.08 -2.12 0.00 0.00 175.29 175.59 1ueq s VAL 48 N -1.92 3.16 -0.01 1.09 1.01 0.05 -1.37 120.40 122.41 1ueq s VAL 48 Ca -0.02 0.17 -0.22 0.00 0.00 0.00 0.00 61.98 61.91 1ueq s VAL 48 Cb -0.06 -3.18 -0.13 0.00 0.00 0.00 0.00 36.38 33.01 1ueq s VAL 48 CO 0.00 -0.09 0.98 0.50 0.00 0.00 0.00 175.10 176.49 1ueq h LYS 49 N 13.15 -0.62 -3.25 2.72 3.64 -1.14 -2.46 116.57 128.61 1ueq h LYS 49 Ca -0.41 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.96 1ueq h LYS 49 Cb 1.22 0.14 -0.14 0.00 -0.41 0.00 0.00 32.23 33.04 1ueq h LYS 49 CO 0.97 -0.33 -0.04 -1.12 -2.27 0.00 0.00 179.45 176.66 1ueq s SER 50 N -4.83 -0.29 -0.13 4.20 0.01 -1.18 -4.72 113.70 106.76 1ueq s SER 50 Ca -0.12 -0.20 -0.06 0.00 1.31 0.00 0.00 55.95 56.88 1ueq s SER 50 Cb 0.01 0.48 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 1ueq s SER 50 CO 0.40 -0.83 0.10 -0.69 0.41 0.00 0.00 173.24 172.64 1ueq s VAL 51 N -3.50 5.20 0.28 3.43 1.01 -1.26 -1.53 120.40 124.04 1ueq s VAL 51 Ca 0.01 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.80 1ueq s VAL 51 Cb 0.01 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 1ueq s VAL 51 CO -0.10 0.59 1.03 -0.63 0.00 0.00 0.00 175.10 175.98 1ueq s ILE 52 N -0.75 3.77 -0.18 2.22 1.09 -0.51 -4.94 121.20 121.89 1ueq s ILE 52 Ca 0.13 1.70 0.00 0.00 -1.10 0.00 0.00 60.65 61.38 1ueq s ILE 52 Cb -0.12 -4.05 0.00 0.00 -1.06 0.00 0.00 42.46 37.23 1ueq s ILE 52 CO 0.03 0.34 0.74 -0.81 -0.10 0.00 0.00 174.94 175.14 1ueq n PRO 53 N 1.08 0.81 0.00 2.79 -0.04 -1.26 -1.98 135.00 136.40 1ueq n PRO 53 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ueq n PRO 53 Cb 0.47 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 1ueq n PRO 53 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ueq n ASP 54 N 0.50 0.00 -4.73 3.54 8.00 -1.26 -5.07 116.55 117.54 1ueq n ASP 54 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 1ueq n ASP 54 Cb 0.37 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.58 1ueq n ASP 54 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ueq s GLY 55 N 0.00 1.81 0.60 0.44 0.00 -0.84 -4.74 107.32 104.59 1ueq s GLY 55 Ca 0.00 0.49 0.37 0.00 0.00 0.00 0.00 44.72 45.57 1ueq s GLY 55 CO 0.00 0.87 2.20 -0.56 0.00 0.00 0.00 173.10 175.61 1ueq h PRO 56 N -1.18 0.00 0.19 2.90 0.13 -1.91 -0.48 132.00 131.65 1ueq h PRO 56 Ca -0.44 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1ueq h PRO 56 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1ueq h PRO 56 CO 0.48 0.03 -0.25 0.00 -0.23 0.00 0.00 178.00 178.03 1ueq h ALA 57 N 1.97 -0.47 0.01 -0.56 0.00 -1.90 -0.64 119.26 117.66 1ueq h ALA 57 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ueq h ALA 57 Cb 0.20 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ueq h ALA 57 CO 0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 179.25 178.45 1ueq h ALA 58 N 0.20 -0.01 0.00 0.00 0.00 -1.46 -3.26 119.26 114.73 1ueq h ALA 58 Ca 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1ueq h ALA 58 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ueq h ALA 58 CO -0.09 -0.42 -0.17 1.96 0.00 0.00 0.00 179.25 180.52 1ueq h GLN 59 N -0.17 0.00 0.00 0.00 4.20 -1.10 -0.27 115.11 117.77 1ueq h GLN 59 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ueq h GLN 59 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1ueq h GLN 59 CO 0.00 0.17 0.00 -3.47 -0.67 0.00 0.00 178.83 174.86 1ueq n ASP 60 N -3.28 0.32 -0.87 1.46 2.03 -0.25 -4.92 116.55 111.04 1ueq n ASP 60 Ca 0.01 0.57 -0.09 0.00 0.52 0.00 0.00 54.79 55.80 1ueq n ASP 60 Cb 0.44 -0.64 -0.02 0.00 -0.72 0.00 0.00 41.12 40.18 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 0.34 0.44 0.00 0.27 0.00 -0.11 -4.87 105.19 101.26 1ueq n GLY 61 Ca 0.04 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.22 1.69 -3.53 1.61 5.02 -1.26 -5.06 118.16 114.41 1ueq n LYS 62 Ca -0.10 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.82 1ueq n LYS 62 Cb 0.46 -0.79 -0.06 0.00 -0.02 0.00 0.00 35.03 34.62 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 -1.57 4.05 0.20 1.97 1.75 -1.25 -4.99 119.30 119.45 1ueq s MET 63 Ca 0.00 0.23 0.00 0.00 -1.25 0.00 0.00 55.69 54.67 1ueq s MET 63 Cb 0.00 -3.33 -0.04 0.00 2.84 0.00 0.00 34.83 34.30 1ueq s MET 63 CO 0.00 0.45 0.07 -1.21 -0.65 0.00 0.00 175.02 173.68 1ueq s GLU 64 N -0.22 1.18 -0.29 4.11 2.02 -1.26 -4.69 118.70 119.55 1ueq s GLU 64 Ca 0.20 -1.60 -0.23 0.00 0.02 0.00 0.00 54.97 53.36 1ueq s GLU 64 Cb -0.14 -0.01 -0.00 0.00 0.10 0.00 0.00 34.13 34.07 1ueq s GLU 64 CO 0.08 -0.27 0.78 0.99 0.02 0.00 0.00 175.26 176.85 1ueq s THR 65 N -3.90 4.82 0.00 3.63 2.01 -1.26 -2.95 115.64 117.98 1ueq s THR 65 Ca 0.32 1.22 0.00 0.00 0.31 0.00 0.00 61.69 63.53 1ueq s THR 65 Cb 0.07 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.46 1ueq s THR 65 CO 0.08 -0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.42 1ueq n GLY 66 N 4.15 1.16 3.76 4.40 0.00 -0.93 -4.91 105.19 112.83 1ueq n GLY 66 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.90 5.76 -0.32 1.61 1.01 -1.15 -4.64 116.67 117.05 1ueq s ASP 67 Ca 0.00 2.49 -0.10 0.00 0.71 0.00 0.00 52.55 55.65 1ueq s ASP 67 Cb 0.00 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 1ueq s ASP 67 CO 0.00 -1.21 0.17 -0.69 0.21 0.00 0.00 175.17 173.65 1ueq s VAL 68 N -1.45 4.75 0.03 -1.27 1.01 -0.14 -0.77 120.40 122.55 1ueq s VAL 68 Ca 0.67 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 1ueq s VAL 68 Cb -0.33 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 1ueq s VAL 68 CO 0.40 0.06 1.52 -0.63 0.00 0.00 0.00 175.10 176.45 1ueq s ILE 69 N 1.64 3.39 -0.09 2.22 1.09 -0.31 -0.88 121.20 128.25 1ueq s ILE 69 Ca 0.05 0.80 -0.09 0.00 -1.10 0.00 0.00 60.65 60.31 1ueq s ILE 69 Cb -0.17 -3.52 -0.05 0.00 -1.06 0.00 0.00 42.46 37.67 1ueq s ILE 69 CO 0.07 -0.00 -0.19 0.52 -0.10 0.00 0.00 174.94 175.23 1ueq n VAL 70 N 4.71 1.16 -4.21 2.92 0.31 -0.24 -4.48 118.33 118.51 1ueq n VAL 70 Ca 0.14 0.07 -0.19 0.00 -0.01 0.00 0.00 64.34 64.35 1ueq n VAL 70 Cb 0.42 -1.89 -0.12 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 -2.41 1.32 -0.09 3.52 1.51 -1.21 -1.50 117.35 118.48 1ueq s TYR 71 Ca -0.18 -0.45 0.02 0.00 -1.01 0.00 0.00 57.07 55.45 1ueq s TYR 71 Cb 0.05 -0.74 0.02 0.00 -0.11 0.00 0.00 41.96 41.17 1ueq s TYR 71 CO 0.25 0.08 -0.13 0.42 -1.11 0.00 0.00 175.55 175.06 1ueq s ILE 72 N -1.22 1.26 0.00 2.71 1.01 -0.38 -1.48 121.20 123.09 1ueq s ILE 72 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1ueq s ILE 72 Cb -0.10 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.20 1ueq s ILE 72 CO 0.03 0.39 0.00 -3.20 0.00 0.00 0.00 174.94 172.16 1ueq n ASN 73 N 4.17 0.00 -0.50 3.58 5.15 0.81 -0.56 115.26 127.91 1ueq n ASN 73 Ca -0.19 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.79 1ueq n ASN 73 Cb 0.51 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.76 1ueq n ASN 73 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1ueq n GLU 74 N 0.00 0.00 -3.75 1.20 2.13 -1.26 -4.50 120.64 114.46 1ueq n GLU 74 Ca 0.00 -0.39 -0.36 0.00 0.66 0.00 0.00 57.16 57.06 1ueq n GLU 74 Cb 0.00 -0.20 -0.11 0.00 0.27 0.00 0.00 31.44 31.41 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 0.00 4.92 0.02 6.31 1.01 0.27 -5.07 120.40 127.86 1ueq s VAL 75 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 1ueq s VAL 75 Cb 0.00 -3.29 -0.08 0.00 0.00 0.00 0.00 36.38 33.01 1ueq s VAL 75 CO -0.00 0.35 1.83 0.00 0.00 0.00 0.00 175.10 177.28 1ueq n VAL 77 N 5.40 0.96 0.10 0.00 0.24 -0.56 -4.88 118.33 119.58 1ueq n VAL 77 Ca 0.19 -1.06 0.03 0.00 -2.04 0.00 0.00 64.34 61.45 1ueq n VAL 77 Cb 0.41 0.39 0.15 0.00 -1.47 0.00 0.00 33.84 33.32 1ueq n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ueq n LEU 78 N -0.61 0.11 0.00 1.34 -0.00 -0.78 -0.56 117.00 116.50 1ueq n LEU 78 Ca 0.04 0.55 0.00 0.00 -0.00 0.00 0.00 56.01 56.60 1ueq n LEU 78 Cb 0.44 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 43.31 1ueq n LEU 78 CO 0.00 -0.54 0.28 0.61 -0.00 0.00 0.00 177.39 177.74 1ueq n GLY 79 N -1.24 -1.80 3.79 1.47 0.00 -1.26 -4.69 105.19 101.45 1ueq n GLY 79 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.17 2.77 0.46 1.61 3.76 0.28 -1.27 115.29 122.72 1ueq s HIS 80 Ca 0.00 1.51 -0.13 0.00 -0.15 0.00 0.00 55.06 56.29 1ueq s HIS 80 Cb 0.00 -3.00 -0.07 0.00 1.11 0.00 0.00 32.58 30.62 1ueq s HIS 80 CO 0.00 -1.58 0.87 -0.08 -0.85 0.00 0.00 174.74 173.10 1ueq s THR 81 N -2.90 4.66 0.25 1.30 -1.32 -1.26 -4.52 115.64 111.86 1ueq s THR 81 Ca 0.61 0.91 -0.03 0.00 -1.21 0.00 0.00 61.69 61.97 1ueq s THR 81 Cb -0.16 -3.73 0.23 0.00 -1.51 0.00 0.00 72.50 67.34 1ueq s THR 81 CO 0.54 -0.60 1.82 -0.74 -2.21 0.00 0.00 174.62 173.43 1ueq h HIS 82 N 1.09 0.96 -0.80 9.09 2.76 -1.89 -1.33 115.15 125.03 1ueq h HIS 82 Ca -0.47 0.03 0.20 0.00 -2.20 0.00 0.00 60.37 57.93 1ueq h HIS 82 Cb 1.19 -0.30 -0.05 0.00 1.55 0.00 0.00 27.41 29.80 1ueq h HIS 82 CO 0.62 0.40 0.55 0.00 -1.30 0.00 0.00 177.93 178.21 1ueq h ALA 83 N 1.47 2.44 0.06 5.26 0.00 -1.93 0.37 119.26 126.93 1ueq h ALA 83 Ca 0.42 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.18 1ueq h ALA 83 Cb 0.37 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ueq h ALA 83 CO -0.24 -0.68 -0.71 0.22 0.00 0.00 0.00 179.25 177.84 1ueq h ASP 84 N 0.21 0.18 0.19 0.00 3.58 -1.66 -3.21 116.42 115.71 1ueq h ASP 84 Ca 0.40 -0.87 -0.03 0.00 0.42 0.00 0.00 57.03 56.95 1ueq h ASP 84 Cb 1.25 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.23 1ueq h ASP 84 CO -0.08 1.31 -0.15 0.58 -2.88 0.00 0.00 179.24 178.02 1ueq h VAL 85 N -0.72 0.97 -0.54 2.25 2.07 -0.63 0.12 116.25 119.78 1ueq h VAL 85 Ca -0.16 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1ueq h VAL 85 Cb 1.36 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 1ueq h VAL 85 CO 0.01 0.14 0.29 0.58 0.02 0.00 0.00 177.57 178.60 1ueq h VAL 86 N 0.00 1.19 -0.97 2.57 2.07 -0.43 -0.84 116.25 119.83 1ueq h VAL 86 Ca -0.00 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1ueq h VAL 86 Cb 0.28 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 1ueq h VAL 86 CO 0.02 0.20 0.62 0.07 0.02 0.00 0.00 177.57 178.50 1ueq h LYS 87 N 0.72 1.30 -0.31 1.57 2.10 -0.77 0.27 116.57 121.45 1ueq h LYS 87 Ca 0.19 -0.10 -0.05 0.00 -2.00 0.00 0.00 60.65 58.69 1ueq h LYS 87 Cb 0.07 -0.28 -0.01 0.00 -0.90 0.00 0.00 32.23 31.10 1ueq h LYS 87 CO -0.03 0.88 -0.02 -0.07 -2.00 0.00 0.00 179.45 178.21 1ueq h LEU 88 N 1.33 0.55 -0.61 7.07 3.38 -1.22 -1.14 115.31 124.67 1ueq h LEU 88 Ca 0.35 -0.33 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1ueq h LEU 88 Cb -0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1ueq h LEU 88 CO -0.07 0.75 -0.43 -0.26 0.09 0.00 0.00 178.44 178.51 1ueq h PHE 89 N 0.34 0.73 0.00 1.13 0.04 -0.54 -1.73 116.94 116.92 1ueq h PHE 89 Ca 0.08 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.63 1ueq h PHE 89 Cb 0.48 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1ueq h PHE 89 CO 0.04 0.94 0.00 1.96 -0.60 0.00 0.00 178.31 180.65 1ueq h GLN 90 N 0.49 0.00 -1.18 1.51 1.08 -0.87 -2.92 115.11 113.22 1ueq h GLN 90 Ca 0.04 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.69 1ueq h GLN 90 Cb 0.95 0.00 -0.24 0.00 -0.05 0.00 0.00 27.48 28.15 1ueq h GLN 90 CO 0.09 0.00 0.71 0.45 -0.95 0.00 0.00 178.83 179.12 1ueq n SER 91 N -2.62 7.11 -3.96 1.46 2.88 -0.44 -4.72 113.62 113.33 1ueq n SER 91 Ca 0.01 -3.52 -0.30 0.00 -1.33 0.00 0.00 58.87 53.74 1ueq n SER 91 Cb 0.27 -1.00 -0.16 0.00 -0.75 0.00 0.00 64.21 62.57 1ueq n SER 91 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1ueq s VAL 92 N -3.86 1.50 0.87 2.46 1.01 -1.10 -4.98 120.40 116.29 1ueq s VAL 92 Ca 0.52 -0.97 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 1ueq s VAL 92 Cb 0.41 -1.64 0.12 0.00 0.00 0.00 0.00 36.38 35.28 1ueq s VAL 92 CO -0.00 0.10 1.22 -2.16 0.00 0.00 0.00 175.10 174.26 1ueq s PRO 93 N 1.45 1.47 0.52 2.72 0.04 -1.26 -5.02 135.00 134.91 1ueq s PRO 93 Ca -0.02 -0.05 -0.23 0.00 0.04 0.00 0.00 61.00 60.74 1ueq s PRO 93 Cb -0.17 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 1ueq s PRO 93 CO -0.08 -1.91 1.40 0.42 0.04 0.00 0.00 177.00 176.87 1ueq s ILE 94 N -3.66 2.01 -0.08 0.56 1.09 -1.26 -3.22 121.20 116.64 1ueq s ILE 94 Ca 0.66 0.01 0.00 0.00 -1.10 0.00 0.00 60.65 60.22 1ueq s ILE 94 Cb -0.09 -3.00 0.00 0.00 -1.06 0.00 0.00 42.46 38.31 1ueq s ILE 94 CO 0.51 0.00 0.00 0.61 -0.10 0.00 0.00 174.94 175.96 1ueq n GLY 95 N 0.68 0.43 3.40 6.18 0.00 -1.15 -5.04 105.19 109.68 1ueq n GLY 95 Ca 0.09 -1.04 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.27 1.55 0.18 1.61 -1.52 -1.20 -5.00 119.66 113.03 1ueq s GLN 96 Ca 0.00 -1.85 0.05 0.00 -1.95 0.00 0.00 55.36 51.61 1ueq s GLN 96 Cb 0.00 -0.63 -0.05 0.00 -0.22 0.00 0.00 33.01 32.11 1ueq s GLN 96 CO 0.00 -0.23 -0.09 -1.54 -0.25 0.00 0.00 175.29 173.18 1ueq s SER 97 N -3.42 2.02 0.04 5.90 1.04 -1.26 -0.29 113.70 117.73 1ueq s SER 97 Ca 0.37 -1.07 0.03 0.00 0.48 0.00 0.00 55.95 55.77 1ueq s SER 97 Cb 0.08 -0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 1ueq s SER 97 CO 0.15 -0.33 -0.10 0.68 0.98 0.00 0.00 173.24 174.61 1ueq s VAL 98 N -3.25 0.78 0.50 5.02 -7.23 -0.67 -4.98 120.40 110.56 1ueq s VAL 98 Ca 0.21 -1.00 -0.11 0.00 -1.81 0.00 0.00 61.98 59.27 1ueq s VAL 98 Cb 0.03 -0.77 -0.06 0.00 0.56 0.00 0.00 36.38 36.14 1ueq s VAL 98 CO 0.04 -0.19 0.89 0.20 -0.31 0.00 0.00 175.10 175.73 1ueq s ASN 99 N -1.32 6.43 -0.21 4.85 0.01 -1.26 -1.60 114.94 121.84 1ueq s ASN 99 Ca -0.04 1.27 -0.04 0.00 -0.71 0.00 0.00 52.86 53.34 1ueq s ASN 99 Cb -0.08 -2.39 0.10 0.00 0.41 0.00 0.00 41.25 39.28 1ueq s ASN 99 CO 0.01 -0.59 0.25 -0.76 -1.51 0.00 0.00 177.10 174.50 1ueq s LEU 100 N -4.38 -0.21 -0.21 0.60 1.43 -0.26 -0.14 118.68 115.51 1ueq s LEU 100 Ca 0.53 -0.09 -0.21 0.00 -1.03 0.00 0.00 54.13 53.33 1ueq s LEU 100 Cb -0.10 0.53 -0.02 0.00 0.03 0.00 0.00 46.19 46.62 1ueq s LEU 100 CO 0.39 -0.32 0.64 -0.69 0.23 0.00 0.00 176.35 176.60 1ueq s VAL 101 N 2.37 5.01 0.37 -1.59 1.01 -0.55 -2.33 120.40 124.69 1ueq s VAL 101 Ca 0.08 1.19 0.08 0.00 0.00 0.00 0.00 61.98 63.32 1ueq s VAL 101 Cb -0.15 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1ueq s VAL 101 CO -0.12 0.09 0.12 -0.76 0.00 0.00 0.00 175.10 174.43 1ueq s LEU 102 N 2.07 3.12 -0.08 3.92 1.43 -0.56 -1.08 118.68 127.49 1ueq s LEU 102 Ca 0.28 -0.98 0.03 0.00 -1.03 0.00 0.00 54.13 52.43 1ueq s LEU 102 Cb -0.16 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.58 1ueq s LEU 102 CO 0.10 -0.40 -0.16 0.00 0.23 0.00 0.00 176.35 176.12 1ueq s ARG 104 N 0.63 3.86 0.00 0.00 3.52 0.26 -0.97 118.95 126.25 1ueq s ARG 104 Ca -0.14 0.92 0.00 0.00 -0.13 0.00 0.00 55.73 56.38 1ueq s ARG 104 Cb -0.16 -2.12 0.00 0.00 -1.56 0.00 0.00 34.95 31.11 1ueq s ARG 104 CO 0.04 -0.35 0.00 0.41 -0.81 0.00 0.00 175.30 174.60 1ueq n GLY 105 N -1.80 1.53 3.92 8.12 0.00 -1.26 -2.62 105.19 113.08 1ueq n GLY 105 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1ueq n GLY 105 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ueq s TYR 106 N -0.88 3.49 1.24 1.61 1.51 -1.26 -4.88 117.35 118.17 1ueq s TYR 106 Ca 0.00 0.47 -0.20 0.00 -1.01 0.00 0.00 57.07 56.32 1ueq s TYR 106 Cb 0.00 -1.97 0.30 0.00 -0.11 0.00 0.00 41.96 40.19 1ueq s TYR 106 CO 0.00 0.21 1.10 -1.25 -1.11 0.00 0.00 175.55 174.50 1ueq s PRO 107 N -3.75 -1.55 0.64 -1.71 0.04 -1.26 -4.86 135.00 122.56 1ueq s PRO 107 Ca 0.41 -0.14 -0.16 0.00 0.04 0.00 0.00 61.00 61.15 1ueq s PRO 107 Cb -0.10 -1.56 -0.01 0.00 0.04 0.00 0.00 34.50 32.86 1ueq s PRO 107 CO 0.32 -3.91 1.11 -0.51 0.04 0.00 0.00 177.00 174.05 1ueq s LEU 108 N -7.05 3.44 0.26 -3.56 1.43 -1.26 -4.88 118.68 107.06 1ueq s LEU 108 Ca 0.72 2.03 0.08 0.00 -1.03 0.00 0.00 54.13 55.93 1ueq s LEU 108 Cb -0.08 -4.56 0.33 0.00 0.03 0.00 0.00 46.19 41.91 1ueq s LEU 108 CO 0.56 -1.58 1.60 1.55 0.23 0.00 0.00 176.35 178.71 1ueq h PRO 109 N 0.18 0.08 -7.00 1.29 0.13 -1.96 -3.44 132.00 121.28 1ueq h PRO 109 Ca -0.47 -0.06 -0.45 0.00 -0.87 0.00 0.00 66.00 64.15 1ueq h PRO 109 Cb 1.25 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1ueq h PRO 109 CO 0.54 0.66 0.33 0.12 -0.23 0.00 0.00 178.00 179.43 1ueq s PHE 110 N -3.68 3.41 -0.14 1.56 5.36 -1.26 -5.09 117.98 118.14 1ueq s PHE 110 Ca -0.02 1.64 -0.01 0.00 -0.96 0.00 0.00 56.93 57.57 1ueq s PHE 110 Cb 0.12 -2.86 0.04 0.00 -0.34 0.00 0.00 43.02 39.99 1ueq s PHE 110 CO 0.77 -0.02 -0.02 -0.51 -1.46 0.00 0.00 175.22 173.98 1ueq s ASP 111 N -2.04 2.43 0.20 6.13 1.01 -1.26 -4.99 116.67 118.16 1ueq s ASP 111 Ca 0.59 -0.50 0.24 0.00 0.71 0.00 0.00 52.55 53.59 1ueq s ASP 111 Cb -0.11 -0.70 0.91 0.00 1.01 0.00 0.00 42.92 44.02 1ueq s ASP 111 CO 0.16 -0.21 1.72 -0.81 0.21 0.00 0.00 175.17 176.24 1ueq n PRO 112 N 5.00 0.19 0.00 8.23 -0.04 -1.26 -3.86 135.00 143.26 1ueq n PRO 112 Ca -0.10 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1ueq n PRO 112 Cb 0.48 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 1ueq n PRO 112 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ueq n GLU 113 N -2.13 0.00 -3.88 0.54 -0.58 -1.26 -4.31 120.64 109.02 1ueq n GLU 113 Ca 0.04 0.34 -0.28 0.00 -0.42 0.00 0.00 57.16 56.83 1ueq n GLU 113 Cb 0.29 -1.33 -0.12 0.00 -0.57 0.00 0.00 31.44 29.71 1ueq n GLU 113 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1ueq n ASP 114 N -1.51 2.99 0.18 1.62 8.00 -1.26 -4.97 116.55 121.59 1ueq n ASP 114 Ca 0.00 -3.21 0.03 0.00 0.71 0.00 0.00 54.79 52.32 1ueq n ASP 114 Cb 0.00 -0.75 0.32 0.00 -0.02 0.00 0.00 41.12 40.67 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 5.34 0.00 0.00 -0.24 0.13 -1.75 -3.42 132.00 132.07 1ueq h PRO 115 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1ueq h PRO 115 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1ueq h PRO 115 CO 0.71 0.43 0.00 0.00 -0.23 0.00 0.00 178.00 178.92 1ueq n ALA 116 N -2.40 0.00 -0.40 -0.56 0.00 -1.26 -4.96 120.51 110.93 1ueq n ALA 116 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1ueq n ALA 116 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1ueq n ALA 116 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1ueq n ASN 117 N -0.40 -0.44 -1.22 0.00 0.23 -1.26 -4.95 115.26 107.22 1ueq n ASN 117 Ca 0.00 0.00 0.15 0.00 -0.53 0.00 0.00 54.58 54.20 1ueq n ASN 117 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 1ueq n ASN 117 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1ueq n SER 118 N -3.60 -7.24 0.00 0.53 3.41 -1.26 -5.08 113.62 100.38 1ueq n SER 118 Ca 0.00 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 1ueq n SER 118 Cb 0.00 -3.34 0.00 0.00 -0.26 0.00 0.00 64.21 60.61 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 -3.23 0.43 0.33 5.00 0.00 -1.26 -4.96 105.19 101.49 1ueq n GLY 119 Ca 0.01 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.47 1ueq n GLY 119 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ueq h PRO 120 N 0.00 0.63 -3.95 1.61 0.11 -2.04 -3.43 132.00 124.92 1ueq h PRO 120 Ca 0.00 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.96 1ueq h PRO 120 Cb 0.00 -0.14 -0.12 0.00 0.11 0.00 0.00 31.00 30.85 1ueq h PRO 120 CO 0.00 0.42 -0.31 -1.54 -0.21 0.00 0.00 178.00 176.36 1ueq s SER 121 N -5.35 0.01 -0.06 -2.05 1.04 -1.26 -5.14 113.70 100.89 1ueq s SER 121 Ca -0.11 -1.02 -0.01 0.00 0.48 0.00 0.00 55.95 55.29 1ueq s SER 121 Cb 0.25 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.82 1ueq s SER 121 CO 0.79 -0.98 -0.00 -0.44 0.98 0.00 0.00 173.24 173.59 1ueq s SER 122 N -3.03 5.16 0.00 7.02 0.01 -1.26 -4.91 113.70 116.68 1ueq s SER 122 Ca 0.25 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1ueq s SER 122 Cb 0.03 -1.41 0.00 0.00 0.21 0.00 0.00 66.02 64.84 1ueq s SER 122 CO 0.07 0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.68