#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3rub s GLN 2 N 0.00 2.02 -0.25 2.12 -0.21 -1.26 -5.12 119.66 116.97 3rub s GLN 2 Ca 0.00 -1.30 -0.09 0.00 0.02 0.00 0.00 55.36 53.99 3rub s GLN 2 Cb 0.00 -2.13 -0.04 0.00 1.00 0.00 0.00 33.01 31.84 3rub s GLN 2 CO 0.00 0.43 0.12 0.08 -2.12 0.00 0.00 175.29 173.79 3rub s VAL 3 N -1.74 4.82 -0.02 1.09 1.01 -1.26 -5.06 120.40 119.24 3rub s VAL 3 Ca 0.25 -0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 3rub s VAL 3 Cb -0.09 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 3rub s VAL 3 CO 0.15 0.33 1.43 0.86 0.00 0.00 0.00 175.10 177.87 3rub s TRP 4 N 1.41 2.70 0.23 5.22 -0.11 -1.26 -4.94 118.94 122.20 3rub s TRP 4 Ca 0.06 0.72 -0.32 0.00 1.22 0.00 0.00 56.10 57.79 3rub s TRP 4 Cb -0.15 -3.70 -0.12 0.00 -1.50 0.00 0.00 33.47 28.01 3rub s TRP 4 CO 0.06 -2.64 1.69 -2.30 -4.62 0.00 0.00 176.95 169.14 3rub n PRO 5 N 5.77 2.75 0.00 5.86 -0.02 -1.26 -4.93 135.00 143.17 3rub n PRO 5 Ca 0.14 0.99 0.14 0.00 -2.02 0.00 0.00 63.50 62.74 3rub n PRO 5 Cb 0.43 -2.82 0.55 0.00 -0.02 0.00 0.00 33.50 31.64 3rub n PRO 5 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3rub n PRO 6 N 3.48 0.23 -4.38 0.52 -0.04 -1.26 -4.67 135.00 128.88 3rub n PRO 6 Ca 0.14 -0.06 -0.24 0.00 -0.04 0.00 0.00 63.50 63.30 3rub n PRO 6 Cb 0.35 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.20 3rub n PRO 6 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3rub s ILE 7 N -2.82 2.07 -2.12 0.52 -4.36 -1.26 -4.86 121.20 108.38 3rub s ILE 7 Ca 0.19 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.57 3rub s ILE 7 Cb 0.19 -1.99 0.00 0.00 1.25 0.00 0.00 42.46 41.91 3rub s ILE 7 CO 0.55 -0.25 0.00 0.59 0.24 0.00 0.00 174.94 176.07 3rub n ASN 8 N 0.20 -5.38 -2.01 4.36 4.13 -1.26 -4.84 115.26 110.46 3rub n ASN 8 Ca -0.12 0.46 -0.24 0.00 1.68 0.00 0.00 54.58 56.36 3rub n ASN 8 Cb 0.57 -4.74 0.02 0.00 -1.54 0.00 0.00 39.78 34.09 3rub n ASN 8 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3rub n LYS 9 N -2.40 3.59 -1.86 3.52 4.76 -1.26 -5.06 118.16 119.44 3rub n LYS 9 Ca -0.21 -4.15 -0.41 0.00 -2.87 0.00 0.00 58.31 50.67 3rub n LYS 9 Cb 0.67 -2.27 -0.00 0.00 -1.84 0.00 0.00 35.03 31.58 3rub n LYS 9 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3rub s LYS 10 N -3.60 4.10 0.42 1.97 -0.14 -1.26 -4.99 119.74 116.24 3rub s LYS 10 Ca 0.51 2.49 0.07 0.00 -1.36 0.00 0.00 55.97 57.68 3rub s LYS 10 Cb 0.41 -2.94 -0.06 0.00 -1.68 0.00 0.00 37.83 33.56 3rub s LYS 10 CO 0.04 -0.51 0.10 0.15 -0.76 0.00 0.00 175.35 174.37 3rub s LYS 11 N -2.09 2.11 -0.06 1.68 -0.14 -1.26 -5.08 119.74 114.90 3rub s LYS 11 Ca 0.53 -2.01 0.25 0.00 -1.36 0.00 0.00 55.97 53.38 3rub s LYS 11 Cb -0.45 -1.81 0.45 0.00 -1.68 0.00 0.00 37.83 34.34 3rub s LYS 11 CO 0.60 -0.13 1.16 0.66 -0.76 0.00 0.00 175.35 176.89 3rub n TYR 12 N -1.15 0.27 -4.30 3.18 4.01 -1.26 -5.03 117.16 112.88 3rub n TYR 12 Ca -0.04 -0.86 0.00 0.00 -0.16 0.00 0.00 57.90 56.84 3rub n TYR 12 Cb 0.66 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 3rub n TYR 12 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3rub n GLU 13 N 0.24 0.00 -1.64 -0.72 -0.58 -1.26 -4.53 120.64 112.14 3rub n GLU 13 Ca 0.07 0.00 -0.63 0.00 -0.42 0.00 0.00 57.16 56.18 3rub n GLU 13 Cb 1.07 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.85 3rub n GLU 13 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3rub n THR 14 N 0.00 0.03 -0.95 2.62 -1.04 -1.26 -1.59 114.28 112.08 3rub n THR 14 Ca 0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3rub n THR 14 Cb 0.00 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 3rub n THR 14 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3rub n LEU 15 N 3.07 0.10 0.00 -4.42 4.77 -1.26 -4.46 117.00 114.81 3rub n LEU 15 Ca 0.26 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.37 3rub n LEU 15 Cb 0.03 -0.18 0.76 0.00 -2.33 0.00 0.00 43.42 41.70 3rub n LEU 15 CO 0.76 -0.05 0.98 -1.54 -1.33 0.00 0.00 177.39 176.21 3rub n SER 16 N -0.01 0.00 -0.48 -1.43 3.41 -0.62 -2.28 113.62 112.21 3rub n SER 16 Ca 0.00 -0.55 0.11 0.00 -0.26 0.00 0.00 58.87 58.17 3rub n SER 16 Cb 0.00 -0.12 0.03 0.00 -0.26 0.00 0.00 64.21 63.87 3rub n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3rub n TYR 17 N -1.12 0.00 -2.81 7.33 4.02 -1.26 -4.82 117.16 118.50 3rub n TYR 17 Ca 0.17 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.83 3rub n TYR 17 Cb 0.14 -0.01 0.02 0.00 -0.02 0.00 0.00 39.34 39.47 3rub n TYR 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3rub s LEU 18 N -2.48 3.51 0.58 7.72 1.43 -0.97 -5.05 118.68 123.43 3rub s LEU 18 Ca 0.19 0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 53.47 3rub s LEU 18 Cb 0.18 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 3rub s LEU 18 CO 0.57 -0.82 1.27 -2.84 0.23 0.00 0.00 176.35 174.75 3rub s PRO 19 N -4.68 3.00 0.02 1.29 0.02 -1.26 -4.83 135.00 128.56 3rub s PRO 19 Ca 0.50 2.01 -0.38 0.00 0.02 0.00 0.00 61.00 63.15 3rub s PRO 19 Cb -0.10 -2.06 -0.18 0.00 0.02 0.00 0.00 34.50 32.18 3rub s PRO 19 CO 0.40 -1.23 1.29 -0.25 -0.33 0.00 0.00 177.00 176.87 3rub n ASP 20 N -1.38 1.17 -4.73 2.53 8.00 -1.26 -4.86 116.55 116.02 3rub n ASP 20 Ca 0.13 1.13 -0.41 0.00 0.71 0.00 0.00 54.79 56.34 3rub n ASP 20 Cb 0.48 -1.10 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 3rub n ASP 20 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3rub n LEU 21 N 2.43 4.32 -4.92 0.64 4.77 -1.26 -4.99 117.00 117.98 3rub n LEU 21 Ca 0.20 1.18 -0.27 0.00 -0.03 0.00 0.00 56.01 57.09 3rub n LEU 21 Cb 0.15 -1.55 0.02 0.00 -2.33 0.00 0.00 43.42 39.70 3rub n LEU 21 CO 0.64 -0.26 0.48 -0.94 -1.33 0.00 0.00 177.39 175.97 3rub s SER 22 N -0.33 5.88 0.31 -1.43 1.04 -1.26 -4.78 113.70 113.12 3rub s SER 22 Ca 0.57 0.76 0.07 0.00 0.48 0.00 0.00 55.95 57.83 3rub s SER 22 Cb -0.50 -1.90 0.84 0.00 0.10 0.00 0.00 66.02 64.56 3rub s SER 22 CO 0.61 -0.84 1.69 -0.61 0.98 0.00 0.00 173.24 175.07 3rub h GLN 23 N 0.03 0.38 -0.28 4.02 5.75 -1.99 0.38 115.11 123.41 3rub h GLN 23 Ca -0.46 -0.02 -0.19 0.00 -0.15 0.00 0.00 58.65 57.83 3rub h GLN 23 Cb 1.24 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.70 3rub h GLN 23 CO 0.61 0.25 -0.57 0.93 -2.65 0.00 0.00 178.83 177.40 3rub h GLU 24 N 0.40 0.87 -0.45 1.69 3.07 -1.98 -0.55 114.58 117.63 3rub h GLU 24 Ca 0.62 -0.57 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3rub h GLU 24 Cb 1.24 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 29.21 3rub h GLU 24 CO -0.55 1.20 0.27 1.96 -1.40 0.00 0.00 179.01 180.49 3rub h GLN 25 N 0.66 0.61 -0.10 2.33 4.20 -0.86 0.31 115.11 122.26 3rub h GLN 25 Ca 0.01 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.70 3rub h GLN 25 Cb 1.19 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.79 3rub h GLN 25 CO 0.13 0.46 -0.21 1.25 -0.67 0.00 0.00 178.83 179.78 3rub h LEU 26 N 0.60 -0.65 -1.37 1.46 5.85 -0.40 -0.65 115.31 120.15 3rub h LEU 26 Ca 0.16 0.11 0.01 0.00 0.84 0.00 0.00 57.88 59.00 3rub h LEU 26 Cb 0.01 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3rub h LEU 26 CO -0.03 -0.27 0.43 0.25 -0.34 0.00 0.00 178.44 178.48 3rub h LEU 27 N -0.28 0.73 -0.51 2.25 6.46 -0.60 0.40 115.31 123.76 3rub h LEU 27 Ca 0.09 -0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.80 3rub h LEU 27 Cb 0.42 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 3rub h LEU 27 CO -0.27 0.53 0.18 0.28 -0.62 0.00 0.00 178.44 178.54 3rub h SER 28 N 0.86 0.72 -0.03 1.25 0.02 0.97 -0.40 113.55 116.95 3rub h SER 28 Ca 0.24 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3rub h SER 28 Cb -0.08 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.27 3rub h SER 28 CO -0.05 0.72 0.02 -0.33 -1.14 0.00 0.00 176.83 176.04 3rub h GLU 29 N 0.69 0.04 -0.75 3.45 4.39 -0.31 -0.34 114.58 121.76 3rub h GLU 29 Ca 0.17 -0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.98 3rub h GLU 29 Cb 0.24 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.80 3rub h GLU 29 CO -0.01 0.05 0.36 0.28 -1.16 0.00 0.00 179.01 178.53 3rub h VAL 30 N 0.02 0.79 -0.55 3.13 2.07 -0.69 -0.61 116.25 120.41 3rub h VAL 30 Ca 0.01 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 3rub h VAL 30 Cb 0.02 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.93 3rub h VAL 30 CO -0.00 0.11 0.12 -0.33 0.02 0.00 0.00 177.57 177.49 3rub h GLU 31 N 0.58 0.86 -0.29 1.57 5.08 -0.52 -0.70 114.58 121.14 3rub h GLU 31 Ca 0.38 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 3rub h GLU 31 Cb 0.46 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3rub h GLU 31 CO -0.31 0.78 0.12 -0.92 -1.00 0.00 0.00 179.01 177.68 3rub h TYR 32 N 0.82 0.22 -0.37 4.33 3.20 0.46 1.06 116.97 126.69 3rub h TYR 32 Ca 0.18 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.14 3rub h TYR 32 Cb 0.32 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.46 3rub h TYR 32 CO 0.02 0.11 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.47 3rub h LEU 33 N 0.26 -0.39 -0.44 2.82 4.07 -0.70 -1.23 115.31 119.69 3rub h LEU 33 Ca 0.13 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.21 3rub h LEU 33 Cb 0.08 0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 3rub h LEU 33 CO -0.12 -0.14 0.29 -0.07 -1.08 0.00 0.00 178.44 177.32 3rub h LEU 34 N -0.03 0.51 -1.28 1.67 3.38 0.09 0.14 115.31 119.79 3rub h LEU 34 Ca 0.18 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.23 3rub h LEU 34 Cb 0.30 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 3rub h LEU 34 CO -0.39 0.37 0.54 0.50 0.09 0.00 0.00 178.44 179.55 3rub h LYS 35 N 0.60 0.78 -0.01 1.13 3.64 0.23 0.25 116.57 123.19 3rub h LYS 35 Ca 0.16 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3rub h LYS 35 Cb -0.07 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 3rub h LYS 35 CO -0.03 0.51 -0.13 0.09 -2.27 0.00 0.00 179.45 177.62 3rub n ASN 36 N -4.51 0.66 -1.93 4.20 4.13 -0.73 -4.95 115.26 112.13 3rub n ASN 36 Ca 0.14 -0.74 -0.09 0.00 1.68 0.00 0.00 54.58 55.57 3rub n ASN 36 Cb 0.32 -0.02 0.04 0.00 -1.54 0.00 0.00 39.78 38.58 3rub n ASN 36 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3rub n GLY 37 N 1.27 0.23 3.94 7.41 0.00 0.08 -5.05 105.19 113.07 3rub n GLY 37 Ca 0.15 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 3rub n GLY 37 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3rub s TRP 38 N -3.15 3.49 -0.28 1.61 0.51 0.43 -4.86 118.94 116.69 3rub s TRP 38 Ca 0.17 0.32 -0.13 0.00 -2.12 0.00 0.00 56.10 54.34 3rub s TRP 38 Cb -0.07 -1.86 -0.04 0.00 -0.81 0.00 0.00 33.47 30.68 3rub s TRP 38 CO 0.32 0.20 0.28 0.08 -0.51 0.00 0.00 176.95 177.32 3rub s VAL 39 N -2.19 5.24 0.64 4.03 1.01 0.51 -4.40 120.40 125.25 3rub s VAL 39 Ca 0.39 0.35 -0.13 0.00 0.00 0.00 0.00 61.98 62.60 3rub s VAL 39 Cb -0.10 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 3rub s VAL 39 CO 0.34 0.20 1.05 -2.16 0.00 0.00 0.00 175.10 174.53 3rub s PRO 40 N 1.91 3.20 -0.27 2.72 0.04 -1.26 -0.72 135.00 140.62 3rub s PRO 40 Ca 0.11 1.00 -0.24 0.00 0.04 0.00 0.00 61.00 61.91 3rub s PRO 40 Cb -0.16 -2.02 0.08 0.00 0.04 0.00 0.00 34.50 32.44 3rub s PRO 40 CO 0.11 -0.89 0.79 0.00 0.04 0.00 0.00 177.00 177.04 3rub s LEU 42 N 0.50 4.22 -0.01 0.00 1.02 -1.26 0.43 118.68 123.58 3rub s LEU 42 Ca -0.01 0.43 -0.03 0.00 0.02 0.00 0.00 54.13 54.54 3rub s LEU 42 Cb -0.05 -3.20 -0.00 0.00 0.02 0.00 0.00 46.19 42.96 3rub s LEU 42 CO -0.03 -0.04 0.07 -1.61 0.02 0.00 0.00 176.35 174.76 3rub s GLU 43 N -3.27 0.24 0.09 1.70 2.02 -0.86 -1.46 118.70 117.15 3rub s GLU 43 Ca 0.39 -0.18 -0.06 0.00 0.02 0.00 0.00 54.97 55.14 3rub s GLU 43 Cb -0.11 0.10 -0.02 0.00 0.10 0.00 0.00 34.13 34.20 3rub s GLU 43 CO 0.29 -0.05 0.12 -0.59 0.02 0.00 0.00 175.26 175.05 3rub s PHE 44 N -0.65 0.33 -0.16 1.61 -0.71 0.10 -1.33 117.98 117.18 3rub s PHE 44 Ca -0.07 -0.79 -0.14 0.00 -1.04 0.00 0.00 56.93 54.89 3rub s PHE 44 Cb -0.04 -0.19 0.04 0.00 -1.21 0.00 0.00 43.02 41.62 3rub s PHE 44 CO 0.00 -0.51 0.41 -2.00 -1.34 0.00 0.00 175.22 171.78 3rub s GLU 45 N -3.90 0.47 -0.01 1.99 2.56 -0.82 -0.03 118.70 118.96 3rub s GLU 45 Ca 0.08 0.59 0.06 0.00 0.00 0.00 0.00 54.97 55.70 3rub s GLU 45 Cb 0.06 0.21 -0.10 0.00 2.00 0.00 0.00 34.13 36.30 3rub s GLU 45 CO -0.09 -0.07 0.13 0.25 -0.56 0.00 0.00 175.26 174.93 3rub n THR 46 N 2.98 0.03 -0.05 -1.70 -2.24 -1.26 -0.35 114.28 111.68 3rub n THR 46 Ca -0.14 -0.15 -0.07 0.00 -2.27 0.00 0.00 64.05 61.42 3rub n THR 46 Cb 0.57 0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 69.06 3rub n THR 46 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3rub n GLU 47 N -1.75 0.39 -3.47 -0.78 1.02 -1.26 -4.87 120.64 109.91 3rub n GLU 47 Ca -0.02 0.15 -0.43 0.00 -0.02 0.00 0.00 57.16 56.84 3rub n GLU 47 Cb 0.20 -1.17 -0.05 0.00 -0.02 0.00 0.00 31.44 30.40 3rub n GLU 47 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3rub s HIS 48 N -2.63 3.63 -0.34 -0.32 3.76 -1.26 -4.90 115.29 113.24 3rub s HIS 48 Ca -0.21 -2.26 0.26 0.00 -0.15 0.00 0.00 55.06 52.70 3rub s HIS 48 Cb 0.03 -3.59 1.08 0.00 1.11 0.00 0.00 32.58 31.21 3rub s HIS 48 CO 0.31 -0.93 1.78 0.78 -0.85 0.00 0.00 174.74 175.83 3rub h GLY 49 N 7.49 0.00 -3.63 -2.22 0.00 -1.91 -3.44 103.07 99.36 3rub h GLY 49 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 47.00 3rub h GLY 49 CO 0.74 0.00 -0.75 -1.36 0.00 0.00 0.00 176.54 175.17 3rub s PHE 50 N -3.41 1.32 0.51 5.60 0.08 -1.26 -5.05 117.98 115.77 3rub s PHE 50 Ca 0.03 -0.58 -0.23 0.00 0.12 0.00 0.00 56.93 56.28 3rub s PHE 50 Cb 0.09 -0.70 -0.06 0.00 -0.57 0.00 0.00 43.02 41.78 3rub s PHE 50 CO 0.43 0.11 1.32 1.55 -0.10 0.00 0.00 175.22 178.53 3rub n VAL 51 N 0.54 3.40 -3.99 -0.44 3.14 -1.26 -4.78 118.33 114.94 3rub n VAL 51 Ca -0.16 -0.50 -0.12 0.00 -2.96 0.00 0.00 64.34 60.61 3rub n VAL 51 Cb 0.57 -1.63 -0.03 0.00 -1.06 0.00 0.00 33.84 31.70 3rub n VAL 51 CO 0.00 0.00 0.00 -0.72 -6.46 0.00 0.00 176.83 169.65 3rub s TYR 52 N -1.27 0.62 -0.42 1.45 1.13 -0.67 -4.99 117.35 113.20 3rub s TYR 52 Ca 0.68 -1.00 0.04 0.00 -1.41 0.00 0.00 57.07 55.38 3rub s TYR 52 Cb -0.44 0.23 0.17 0.00 -1.10 0.00 0.00 41.96 40.82 3rub s TYR 52 CO 0.52 -1.21 0.35 0.54 -2.51 0.00 0.00 175.55 173.24 3rub n ARG 53 N -0.51 0.24 -0.11 -3.49 1.74 -1.26 0.73 116.66 114.01 3rub n ARG 53 Ca -0.02 -3.21 -0.22 0.00 -0.77 0.00 0.00 57.85 53.63 3rub n ARG 53 Cb 0.61 -1.67 -0.11 0.00 -1.02 0.00 0.00 32.46 30.27 3rub n ARG 53 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3rub n GLU 54 N 2.77 0.56 0.09 5.56 2.13 -1.26 -4.53 120.64 125.96 3rub n GLU 54 Ca 0.29 0.56 -0.06 0.00 0.66 0.00 0.00 57.16 58.62 3rub n GLU 54 Cb 0.48 -1.74 -0.01 0.00 0.27 0.00 0.00 31.44 30.44 3rub n GLU 54 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 3rub h ASN 55 N -1.00 0.08 -5.02 4.31 4.21 -1.99 -3.47 115.58 112.71 3rub h ASN 55 Ca -0.36 -0.07 -0.04 0.00 1.21 0.00 0.00 56.30 57.04 3rub h ASN 55 Cb 1.30 -0.03 -0.14 0.00 -1.12 0.00 0.00 38.32 38.34 3rub h ASN 55 CO -0.22 0.91 0.13 0.21 -1.29 0.00 0.00 177.43 177.18 3rub s ASN 56 N -6.82 -0.50 -0.06 5.81 3.84 -1.26 -5.05 114.94 110.89 3rub s ASN 56 Ca -0.01 0.06 0.08 0.00 0.21 0.00 0.00 52.86 53.21 3rub s ASN 56 Cb 0.11 0.55 0.13 0.00 -0.55 0.00 0.00 41.25 41.49 3rub s ASN 56 CO 0.81 -0.86 1.05 0.29 -2.79 0.00 0.00 177.10 175.60 3rub n LYS 57 N -0.07 0.63 -1.58 0.43 5.02 -1.26 -4.74 118.16 116.60 3rub n LYS 57 Ca -0.17 -1.70 -0.30 0.00 -2.02 0.00 0.00 58.31 54.12 3rub n LYS 57 Cb 0.63 -0.95 0.08 0.00 -0.02 0.00 0.00 35.03 34.77 3rub n LYS 57 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3rub s SER 58 N -1.81 4.74 0.01 4.39 1.04 -1.26 -4.91 113.70 115.91 3rub s SER 58 Ca 0.14 1.36 -0.36 0.00 0.48 0.00 0.00 55.95 57.58 3rub s SER 58 Cb 0.12 -2.13 -0.14 0.00 0.10 0.00 0.00 66.02 63.97 3rub s SER 58 CO 0.01 -1.82 1.63 -2.65 0.98 0.00 0.00 173.24 171.39 3rub n PRO 59 N -3.34 1.78 -0.40 4.02 -0.02 -1.26 -1.66 135.00 134.12 3rub n PRO 59 Ca 0.07 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3rub n PRO 59 Cb 0.56 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3rub n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3rub n GLY 60 N 3.58 1.44 3.71 -1.23 0.00 -1.26 -5.02 105.19 106.41 3rub n GLY 60 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 3rub n GLY 60 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3rub s TYR 61 N -3.12 3.45 -0.02 1.61 6.14 -0.67 -5.05 117.35 119.69 3rub s TYR 61 Ca 0.00 0.72 -0.09 0.00 0.64 0.00 0.00 57.07 58.34 3rub s TYR 61 Cb 0.00 -2.49 0.01 0.00 0.42 0.00 0.00 41.96 39.90 3rub s TYR 61 CO 0.00 0.13 0.20 0.71 0.64 0.00 0.00 175.55 177.23 3rub s TYR 62 N 0.81 -0.08 0.43 4.97 2.02 -1.26 -4.68 117.35 119.55 3rub s TYR 62 Ca 0.21 0.15 -0.00 0.00 -0.37 0.00 0.00 57.07 57.06 3rub s TYR 62 Cb -0.14 0.02 -0.01 0.00 -0.40 0.00 0.00 41.96 41.42 3rub s TYR 62 CO 0.08 -0.27 0.65 -0.51 -1.57 0.00 0.00 175.55 173.93 3rub s ASP 63 N -0.97 5.97 -0.04 2.29 1.01 0.22 -4.47 116.67 120.68 3rub s ASP 63 Ca -0.11 0.38 0.00 0.00 0.71 0.00 0.00 52.55 53.53 3rub s ASP 63 Cb -0.05 -1.71 0.00 0.00 1.01 0.00 0.00 42.92 42.17 3rub s ASP 63 CO 0.02 -0.60 0.00 0.61 0.21 0.00 0.00 175.17 175.41 3rub n GLY 64 N -2.03 0.47 0.14 0.21 0.00 -1.26 -1.68 105.19 101.04 3rub n GLY 64 Ca -0.00 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 3rub n GLY 64 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3rub h ARG 65 N 0.71 0.43 -6.74 1.61 3.08 -1.93 -3.39 114.38 108.15 3rub h ARG 65 Ca -0.01 -0.71 -0.50 0.00 0.07 0.00 0.00 59.98 58.84 3rub h ARG 65 Cb 0.08 0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3rub h ARG 65 CO 0.01 1.33 0.40 0.71 -1.07 0.00 0.00 179.97 181.36 3rub s TYR 66 N -2.59 3.80 0.53 3.04 2.02 -1.26 -5.06 117.35 117.82 3rub s TYR 66 Ca -0.11 1.81 0.00 0.00 -0.37 0.00 0.00 57.07 58.40 3rub s TYR 66 Cb 0.03 -3.12 -0.00 0.00 -0.40 0.00 0.00 41.96 38.47 3rub s TYR 66 CO 0.89 0.00 0.00 -1.58 -1.57 0.00 0.00 175.55 173.29 3rub s TRP 67 N -0.99 1.76 0.19 2.71 0.52 -1.26 -5.09 118.94 116.79 3rub s TRP 67 Ca 0.43 -1.01 -0.24 0.00 0.02 0.00 0.00 56.10 55.31 3rub s TRP 67 Cb -0.28 -1.58 -0.08 0.00 -1.15 0.00 0.00 33.47 30.38 3rub s TRP 67 CO 0.35 0.19 0.77 0.99 0.02 0.00 0.00 176.95 179.27 3rub s THR 68 N -2.91 4.42 0.15 2.01 2.01 0.96 -4.86 115.64 117.41 3rub s THR 68 Ca 0.01 1.58 -0.30 0.00 0.31 0.00 0.00 61.69 63.29 3rub s THR 68 Cb 0.00 -4.04 -0.07 0.00 0.01 0.00 0.00 72.50 68.40 3rub s THR 68 CO 0.01 0.41 1.17 -0.32 -0.69 0.00 0.00 174.62 175.19 3rub s MET 69 N -1.45 4.50 -0.44 4.92 1.75 -1.26 -0.72 119.30 126.60 3rub s MET 69 Ca 0.39 1.80 -0.20 0.00 -1.25 0.00 0.00 55.69 56.42 3rub s MET 69 Cb -0.21 -3.28 0.03 0.00 2.84 0.00 0.00 34.83 34.21 3rub s MET 69 CO 0.24 -0.09 0.62 -0.46 -0.65 0.00 0.00 175.02 174.68 3rub s TRP 70 N 0.21 3.07 0.00 4.11 -0.11 -0.54 -4.89 118.94 120.80 3rub s TRP 70 Ca 0.54 -0.12 0.00 0.00 1.22 0.00 0.00 56.10 57.74 3rub s TRP 70 Cb -0.31 -3.31 0.00 0.00 -1.50 0.00 0.00 33.47 28.35 3rub s TRP 70 CO 0.34 -0.87 0.00 1.63 -4.62 0.00 0.00 176.95 173.43 3rub n LYS 71 N 6.20 0.00 -4.34 5.86 5.02 -1.26 -4.38 118.16 125.26 3rub n LYS 71 Ca -0.02 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.09 3rub n LYS 71 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.38 3rub n LYS 71 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3rub s LEU 72 N 0.00 2.23 0.48 -0.35 1.43 -1.26 -5.07 118.68 116.14 3rub s LEU 72 Ca 0.00 -1.21 -0.23 0.00 -1.03 0.00 0.00 54.13 51.66 3rub s LEU 72 Cb 0.00 -0.31 -0.08 0.00 0.03 0.00 0.00 46.19 45.83 3rub s LEU 72 CO 0.00 -0.49 1.14 -2.65 0.23 0.00 0.00 176.35 174.58 3rub n PRO 73 N -0.43 1.50 -2.53 1.29 -0.02 -1.26 -4.76 135.00 128.78 3rub n PRO 73 Ca -0.05 0.55 -0.43 0.00 -2.02 0.00 0.00 63.50 61.54 3rub n PRO 73 Cb 0.64 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3rub n PRO 73 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3rub n MET 74 N -0.33 3.56 -1.68 -0.52 2.81 0.21 -4.99 117.12 116.18 3rub n MET 74 Ca 0.10 -3.64 -0.43 0.00 -1.81 0.00 0.00 57.70 51.91 3rub n MET 74 Cb 0.42 -2.95 -0.01 0.00 -0.71 0.00 0.00 33.22 29.97 3rub n MET 74 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3rub n PHE 75 N 4.35 2.12 -0.15 2.03 3.72 -1.26 -2.44 117.46 125.83 3rub n PHE 75 Ca 0.39 0.57 0.00 0.00 -0.05 0.00 0.00 57.45 58.36 3rub n PHE 75 Cb 0.38 -2.39 0.00 0.00 -0.94 0.00 0.00 39.48 36.53 3rub n PHE 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3rub n GLY 76 N 0.84 0.00 3.54 1.37 0.00 -1.26 -4.93 105.19 104.75 3rub n GLY 76 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 3rub n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3rub n THR 78 N -0.34 0.00 -3.94 0.00 -2.24 -1.26 -4.99 114.28 101.50 3rub n THR 78 Ca 0.11 -0.42 -0.31 0.00 -2.27 0.00 0.00 64.05 61.16 3rub n THR 78 Cb 0.36 1.05 -0.15 0.00 -2.10 0.00 0.00 70.33 69.49 3rub n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3rub s ASP 79 N -0.58 4.16 0.40 3.42 2.15 -1.26 -4.96 116.67 119.99 3rub s ASP 79 Ca 0.00 -1.50 0.11 0.00 0.43 0.00 0.00 52.55 51.59 3rub s ASP 79 Cb 0.00 -1.28 0.59 0.00 -0.30 0.00 0.00 42.92 41.93 3rub s ASP 79 CO 0.00 -0.29 1.21 0.00 -0.17 0.00 0.00 175.17 175.92 3rub h ALA 80 N 7.87 1.36 0.04 3.66 0.00 -1.94 1.63 119.26 131.88 3rub h ALA 80 Ca -0.14 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.53 3rub h ALA 80 Cb 1.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3rub h ALA 80 CO 0.45 -0.36 -1.02 1.15 0.00 0.00 0.00 179.25 179.47 3rub h THR 81 N 0.00 1.46 -0.51 0.00 2.02 -1.95 -2.60 112.91 111.34 3rub h THR 81 Ca 0.00 -2.71 0.08 0.00 0.77 0.00 0.00 66.41 64.55 3rub h THR 81 Cb 0.95 2.61 -0.07 0.00 -1.74 0.00 0.00 68.15 69.90 3rub h THR 81 CO 0.00 0.80 0.12 1.56 0.37 0.00 0.00 175.52 178.37 3rub h GLN 82 N 0.14 0.26 -0.13 6.66 4.20 0.20 -1.05 115.11 125.39 3rub h GLN 82 Ca -0.09 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.63 3rub h GLN 82 Cb 1.69 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.39 3rub h GLN 82 CO 0.17 0.17 -0.03 0.28 -0.67 0.00 0.00 178.83 178.75 3rub h VAL 83 N 0.26 0.88 -0.93 -0.54 2.07 -1.56 -1.76 116.25 114.67 3rub h VAL 83 Ca 0.25 -0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.85 3rub h VAL 83 Cb 0.33 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 3rub h VAL 83 CO -0.31 0.00 0.60 0.25 0.02 0.00 0.00 177.57 178.13 3rub h LEU 84 N 0.00 0.91 0.07 2.57 5.85 -1.05 -1.85 115.31 121.82 3rub h LEU 84 Ca 0.06 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3rub h LEU 84 Cb 0.09 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3rub h LEU 84 CO -0.13 0.57 -0.37 0.00 -0.34 0.00 0.00 178.44 178.17 3rub h ALA 85 N 1.51 -0.61 -0.99 1.25 0.00 -0.50 -0.66 119.26 119.26 3rub h ALA 85 Ca 0.41 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.42 3rub h ALA 85 Cb 0.24 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 3rub h ALA 85 CO -0.16 -0.91 0.60 0.93 0.00 0.00 0.00 179.25 179.71 3rub h GLU 86 N -0.57 0.84 -0.66 0.00 4.39 -0.73 0.23 114.58 118.08 3rub h GLU 86 Ca 0.04 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.73 3rub h GLU 86 Cb 0.62 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 29.03 3rub h GLU 86 CO -0.25 0.56 0.38 0.28 -1.16 0.00 0.00 179.01 178.82 3rub h VAL 87 N 0.87 1.01 -0.63 3.13 2.07 -0.44 0.46 116.25 122.71 3rub h VAL 87 Ca 0.52 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.82 3rub h VAL 87 Cb 0.66 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3rub h VAL 87 CO -0.32 0.13 0.39 -0.08 0.02 0.00 0.00 177.57 177.71 3rub h GLU 88 N 0.72 0.75 0.25 1.57 4.57 0.78 0.21 114.58 123.44 3rub h GLU 88 Ca 0.28 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 3rub h GLU 88 Cb 0.13 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 3rub h GLU 88 CO -0.15 0.50 -0.26 1.49 -1.18 0.00 0.00 179.01 179.40 3rub h GLU 89 N 0.78 -0.53 -0.59 1.92 4.22 -0.05 -2.37 114.58 117.95 3rub h GLU 89 Ca 0.25 0.04 0.07 0.00 0.08 0.00 0.00 59.36 59.79 3rub h GLU 89 Cb 0.01 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 3rub h GLU 89 CO -0.10 -0.36 0.28 0.00 -2.18 0.00 0.00 179.01 176.66 3rub h ALA 90 N 0.09 0.77 0.00 2.92 0.00 0.31 -2.03 119.26 121.31 3rub h ALA 90 Ca -0.00 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3rub h ALA 90 Cb 0.52 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3rub h ALA 90 CO -0.06 -0.08 -0.52 1.57 0.00 0.00 0.00 179.25 180.15 3rub h LYS 91 N 0.53 0.00 -0.07 0.00 2.10 -0.77 0.19 116.57 118.54 3rub h LYS 91 Ca 0.27 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.91 3rub h LYS 91 Cb 0.23 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.56 3rub h LYS 91 CO -0.21 0.52 0.00 1.57 -2.00 0.00 0.00 179.45 179.33 3rub h LYS 92 N 0.00 0.13 0.44 0.07 5.09 -1.00 -1.50 116.57 119.79 3rub h LYS 92 Ca -0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 60.65 60.68 3rub h LYS 92 Cb 0.95 -0.01 -0.00 0.00 0.10 0.00 0.00 32.23 33.27 3rub h LYS 92 CO 0.07 0.39 -0.25 0.00 -2.09 0.00 0.00 179.45 177.57 3rub h ALA 93 N 0.73 -0.65 -2.68 0.07 0.00 -1.22 -3.36 119.26 112.15 3rub h ALA 93 Ca 0.02 -0.13 -0.61 0.00 0.00 0.00 0.00 54.91 54.19 3rub h ALA 93 Cb 0.33 0.30 -0.41 0.00 0.00 0.00 0.00 17.79 18.01 3rub h ALA 93 CO 0.00 -0.87 -0.66 0.66 0.00 0.00 0.00 179.25 178.38 3rub n TYR 94 N -5.39 2.68 0.28 0.00 4.01 0.64 -4.88 117.16 114.50 3rub n TYR 94 Ca -0.11 -4.11 0.10 0.00 -0.16 0.00 0.00 57.90 53.61 3rub n TYR 94 Cb 0.29 -0.49 0.44 0.00 -0.31 0.00 0.00 39.34 39.27 3rub n TYR 94 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3rub n PRO 95 N 1.71 0.13 0.00 -0.72 -0.04 -0.57 0.16 135.00 135.66 3rub n PRO 95 Ca 0.24 0.49 0.12 0.00 -0.04 0.00 0.00 63.50 64.31 3rub n PRO 95 Cb 0.39 -1.81 0.19 0.00 -0.04 0.00 0.00 33.50 32.23 3rub n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3rub n GLN 96 N -2.07 1.68 -2.59 0.54 -0.00 -1.26 -4.58 117.38 109.10 3rub n GLN 96 Ca 0.01 -1.28 -0.28 0.00 -0.00 0.00 0.00 57.00 55.45 3rub n GLN 96 Cb 0.13 -1.47 -0.00 0.00 -0.00 0.00 0.00 30.24 28.89 3rub n GLN 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3rub s ALA 97 N -2.21 3.38 -0.06 2.61 0.00 0.12 -4.62 121.76 120.99 3rub s ALA 97 Ca 0.27 -0.46 -0.15 0.00 0.00 0.00 0.00 51.96 51.61 3rub s ALA 97 Cb 0.20 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.64 3rub s ALA 97 CO 0.41 -0.36 0.40 -1.58 0.00 0.00 0.00 175.76 174.63 3rub s TRP 98 N -2.76 3.63 -0.07 0.00 0.51 0.53 -3.55 118.94 117.25 3rub s TRP 98 Ca 0.48 0.89 0.04 0.00 -2.12 0.00 0.00 56.10 55.39 3rub s TRP 98 Cb -0.10 -2.35 0.00 0.00 -0.81 0.00 0.00 33.47 30.21 3rub s TRP 98 CO 0.45 0.47 -0.18 0.42 -0.51 0.00 0.00 176.95 177.61 3rub s ILE 99 N -0.44 1.52 0.12 2.03 1.01 0.14 -1.94 121.20 123.63 3rub s ILE 99 Ca 0.23 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 60.20 3rub s ILE 99 Cb -0.16 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 3rub s ILE 99 CO 0.11 0.44 -0.11 0.00 0.00 0.00 0.00 174.94 175.37 3rub s ARG 100 N 0.34 0.95 -0.12 2.79 1.70 -0.44 -0.36 118.95 123.82 3rub s ARG 100 Ca -0.12 -1.26 -0.03 0.00 -0.47 0.00 0.00 55.73 53.85 3rub s ARG 100 Cb -0.15 -0.67 -0.03 0.00 -0.57 0.00 0.00 34.95 33.53 3rub s ARG 100 CO 0.05 0.11 -0.00 0.42 -1.08 0.00 0.00 175.30 174.79 3rub s ILE 101 N -2.58 4.26 0.23 4.99 1.01 0.72 -2.03 121.20 127.80 3rub s ILE 101 Ca 0.09 -0.25 0.09 0.00 0.00 0.00 0.00 60.65 60.58 3rub s ILE 101 Cb -0.02 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 3rub s ILE 101 CO 0.01 0.56 -0.15 0.27 0.00 0.00 0.00 174.94 175.63 3rub s ILE 102 N -0.39 1.89 -0.03 2.92 -4.36 0.17 -2.30 121.20 119.10 3rub s ILE 102 Ca 0.07 -2.25 0.01 0.00 -0.26 0.00 0.00 60.65 58.23 3rub s ILE 102 Cb -0.12 -2.13 0.02 0.00 1.25 0.00 0.00 42.46 41.47 3rub s ILE 102 CO 0.02 -0.53 -0.04 -0.83 0.24 0.00 0.00 174.94 173.80 3rub s GLY 103 N -3.37 0.37 -0.09 6.27 0.00 -1.07 -0.34 107.32 109.09 3rub s GLY 103 Ca 0.25 -0.06 -0.04 0.00 0.00 0.00 0.00 44.72 44.87 3rub s GLY 103 CO 0.09 0.29 0.08 -1.36 0.00 0.00 0.00 173.10 172.20 3rub s PHE 104 N 0.65 3.39 -0.43 1.90 0.08 0.10 -1.36 117.98 122.32 3rub s PHE 104 Ca -0.08 0.36 -0.03 0.00 0.12 0.00 0.00 56.93 57.30 3rub s PHE 104 Cb -0.11 -1.86 0.12 0.00 -0.57 0.00 0.00 43.02 40.60 3rub s PHE 104 CO -0.00 0.61 0.23 0.34 -0.10 0.00 0.00 175.22 176.30 3rub s ASP 105 N -1.08 5.24 0.00 1.36 2.15 -0.32 -0.36 116.67 123.65 3rub s ASP 105 Ca 0.16 -2.13 0.29 0.00 0.43 0.00 0.00 52.55 51.29 3rub s ASP 105 Cb -0.12 -1.83 1.19 0.00 -0.30 0.00 0.00 42.92 41.87 3rub s ASP 105 CO 0.05 -0.52 1.88 -0.46 -0.17 0.00 0.00 175.17 175.95 3rub n ASN 106 N 4.45 0.10 -0.08 -0.34 6.94 -1.26 -0.05 115.26 125.02 3rub n ASN 106 Ca -0.01 0.22 -0.11 0.00 -0.02 0.00 0.00 54.58 54.66 3rub n ASN 106 Cb 0.41 -0.34 0.03 0.00 -2.36 0.00 0.00 39.78 37.52 3rub n ASN 106 CO 0.00 0.00 0.00 -0.37 -1.03 0.00 0.00 177.26 175.86 3rub h VAL 107 N 0.04 1.28 -0.00 3.53 -1.51 -1.94 -3.04 116.25 114.60 3rub h VAL 107 Ca 0.00 -1.54 0.00 0.00 -1.23 0.00 0.00 66.70 63.93 3rub h VAL 107 Cb 0.45 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.02 3rub h VAL 107 CO 0.00 0.51 -0.93 0.54 -1.23 0.00 0.00 177.57 176.46 3rub n ARG 108 N -4.05 0.37 -3.41 5.19 1.74 -1.16 -5.01 116.66 110.31 3rub n ARG 108 Ca -0.02 -0.05 -0.19 0.00 -0.77 0.00 0.00 57.85 56.82 3rub n ARG 108 Cb 0.53 -1.46 0.04 0.00 -1.02 0.00 0.00 32.46 30.55 3rub n ARG 108 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3rub n GLN 109 N -1.40 -1.64 -3.91 5.56 7.27 0.93 -5.02 117.38 119.18 3rub n GLN 109 Ca 0.04 0.82 -0.09 0.00 0.07 0.00 0.00 57.00 57.84 3rub n GLN 109 Cb 0.32 -4.94 -0.07 0.00 2.41 0.00 0.00 30.24 27.96 3rub n GLN 109 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 3rub s VAL 110 N -3.32 0.10 -0.32 1.69 -7.23 -0.89 -5.03 120.40 105.40 3rub s VAL 110 Ca 0.35 -1.29 -0.15 0.00 -1.81 0.00 0.00 61.98 59.09 3rub s VAL 110 Cb -0.09 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 3rub s VAL 110 CO 0.80 -0.46 0.35 -1.58 -0.31 0.00 0.00 175.10 173.90 3rub s GLN 111 N -3.92 3.68 0.00 4.82 0.74 -1.26 -1.18 119.66 122.54 3rub s GLN 111 Ca 0.11 -0.33 0.21 0.00 0.05 0.00 0.00 55.36 55.41 3rub s GLN 111 Cb 0.04 -3.76 0.26 0.00 1.10 0.00 0.00 33.01 30.64 3rub s GLN 111 CO -0.05 -0.45 1.24 0.00 -0.55 0.00 0.00 175.29 175.48 3rub s ILE 113 N -1.61 0.00 -0.30 0.00 2.07 -1.24 -4.99 121.20 115.12 3rub s ILE 113 Ca 0.29 0.00 -0.14 0.00 -1.41 0.00 0.00 60.65 59.39 3rub s ILE 113 Cb 0.19 -1.00 0.18 0.00 0.13 0.00 0.00 42.46 41.96 3rub s ILE 113 CO 0.27 0.00 1.08 -0.55 -1.91 0.00 0.00 174.94 173.83 3rub s SER 114 N -1.13 -0.40 0.03 4.50 0.15 -1.26 -2.61 113.70 112.99 3rub s SER 114 Ca -0.05 0.28 -0.05 0.00 0.70 0.00 0.00 55.95 56.84 3rub s SER 114 Cb -0.00 1.35 -0.01 0.00 -1.71 0.00 0.00 66.02 65.65 3rub s SER 114 CO 0.04 -0.08 0.08 0.72 1.20 0.00 0.00 173.24 175.21 3rub s PHE 115 N 2.89 0.20 0.10 3.44 -0.71 -0.97 -4.18 117.98 118.74 3rub s PHE 115 Ca -0.02 -0.48 -0.30 0.00 -1.04 0.00 0.00 56.93 55.09 3rub s PHE 115 Cb -0.09 -0.15 -0.06 0.00 -1.21 0.00 0.00 43.02 41.51 3rub s PHE 115 CO -0.11 -0.33 1.15 -1.50 -1.34 0.00 0.00 175.22 173.09 3rub s ILE 116 N -2.34 4.01 -0.23 -4.49 1.10 -1.26 -0.20 121.20 117.79 3rub s ILE 116 Ca -0.07 1.54 0.12 0.00 -0.51 0.00 0.00 60.65 61.73 3rub s ILE 116 Cb -0.03 -3.99 -0.17 0.00 0.15 0.00 0.00 42.46 38.43 3rub s ILE 116 CO -0.03 0.18 0.36 0.00 -2.11 0.00 0.00 174.94 173.33 3rub n ALA 117 N 3.31 2.88 -3.64 1.50 0.00 0.51 -4.86 120.51 120.21 3rub n ALA 117 Ca 0.06 -0.31 -0.04 0.00 0.00 0.00 0.00 53.44 53.15 3rub n ALA 117 Cb 0.46 -0.42 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 3rub n ALA 117 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3rub s TYR 118 N -2.56 -0.33 0.09 0.00 6.14 -0.95 -4.95 117.35 114.78 3rub s TYR 118 Ca -0.01 0.73 0.09 0.00 0.64 0.00 0.00 57.07 58.52 3rub s TYR 118 Cb 0.08 0.35 -0.03 0.00 0.42 0.00 0.00 41.96 42.78 3rub s TYR 118 CO 0.50 -0.16 -0.23 0.15 0.64 0.00 0.00 175.55 176.45 3rub s LYS 119 N 0.53 1.31 0.97 4.97 1.02 -1.26 -0.69 119.74 126.58 3rub s LYS 119 Ca 0.00 -1.14 -0.12 0.00 0.02 0.00 0.00 55.97 54.72 3rub s LYS 119 Cb -0.04 -1.58 0.17 0.00 -0.52 0.00 0.00 37.83 35.86 3rub s LYS 119 CO -0.11 0.38 1.11 -1.25 -0.92 0.00 0.00 175.35 174.56 3rub s PRO 120 N -1.70 0.69 0.23 -1.68 0.04 -1.23 -4.88 135.00 126.46 3rub s PRO 120 Ca 0.09 0.44 -0.32 0.00 0.04 0.00 0.00 61.00 61.25 3rub s PRO 120 Cb -0.10 -1.77 -0.12 0.00 0.04 0.00 0.00 34.50 32.55 3rub s PRO 120 CO 0.04 -2.54 1.68 -1.91 0.04 0.00 0.00 177.00 174.31 3rub n GLU 121 N -4.03 2.72 -0.31 4.56 0.00 -1.26 -2.29 120.64 120.03 3rub n GLU 121 Ca 0.06 0.98 0.00 0.00 0.00 0.00 0.00 57.16 58.19 3rub n GLU 121 Cb 0.58 -2.80 0.00 0.00 0.00 0.00 0.00 31.44 29.22 3rub n GLU 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3rub n GLY 122 N 3.44 0.74 0.03 8.31 0.00 -1.26 -5.17 105.19 111.27 3rub n GLY 122 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3rub n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60