#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4rub s GLN 2 N 0.00 0.22 -0.25 2.12 1.11 -1.26 -5.10 119.66 116.51 4rub s GLN 2 Ca 0.00 0.29 -0.28 0.00 0.01 0.00 0.00 55.36 55.38 4rub s GLN 2 Cb 0.00 0.09 -0.04 0.00 -1.01 0.00 0.00 33.01 32.05 4rub s GLN 2 CO 0.00 -0.04 2.03 0.08 0.01 0.00 0.00 175.29 177.37 4rub s VAL 3 N 0.22 3.21 0.06 1.09 1.01 -1.26 -4.92 120.40 119.80 4rub s VAL 3 Ca -0.01 0.21 -0.31 0.00 0.00 0.00 0.00 61.98 61.88 4rub s VAL 3 Cb -0.02 -3.27 -0.08 0.00 0.00 0.00 0.00 36.38 33.01 4rub s VAL 3 CO -0.01 -0.16 1.72 0.86 0.00 0.00 0.00 175.10 177.51 4rub s TRP 4 N 7.52 2.20 0.51 5.22 -0.11 -1.26 -4.87 118.94 128.14 4rub s TRP 4 Ca 0.91 0.16 -0.22 0.00 1.22 0.00 0.00 56.10 58.17 4rub s TRP 4 Cb -0.29 -4.03 -0.06 0.00 -1.50 0.00 0.00 33.47 27.59 4rub s TRP 4 CO 0.35 -4.24 1.29 -1.25 -4.62 0.00 0.00 176.95 168.48 4rub s PRO 5 N 3.01 3.39 0.00 5.86 0.04 -1.26 -4.94 135.00 141.10 4rub s PRO 5 Ca 0.77 2.08 0.26 0.00 0.04 0.00 0.00 61.00 64.14 4rub s PRO 5 Cb -0.41 -2.33 0.70 0.00 0.04 0.00 0.00 34.50 32.50 4rub s PRO 5 CO 0.34 -0.94 1.53 -0.35 0.04 0.00 0.00 177.00 177.62 4rub n PRO 6 N -0.79 1.04 -0.02 0.56 -0.04 -1.26 -4.82 135.00 129.67 4rub n PRO 6 Ca 0.09 -0.65 -0.03 0.00 -0.04 0.00 0.00 63.50 62.86 4rub n PRO 6 Cb 0.46 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 4rub n PRO 6 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 4rub n ILE 7 N -0.41 0.20 -3.11 0.52 -5.35 -1.26 -4.89 119.36 105.06 4rub n ILE 7 Ca 0.13 -0.06 -0.27 0.00 -0.27 0.00 0.00 62.75 62.28 4rub n ILE 7 Cb 0.37 -1.16 -0.05 0.00 -1.74 0.00 0.00 39.64 37.06 4rub n ILE 7 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 4rub n ASN 8 N -2.93 4.29 -2.38 7.28 3.02 -1.26 -4.80 115.26 118.48 4rub n ASN 8 Ca -0.07 -3.60 -0.19 0.00 -0.03 0.00 0.00 54.58 50.69 4rub n ASN 8 Cb 0.56 -0.61 0.02 0.00 -0.61 0.00 0.00 39.78 39.13 4rub n ASN 8 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 4rub n LYS 9 N 0.15 2.94 -1.94 3.52 4.76 -1.26 -5.07 118.16 121.26 4rub n LYS 9 Ca 0.31 -4.05 -0.41 0.00 -2.87 0.00 0.00 58.31 51.28 4rub n LYS 9 Cb 0.40 -2.03 -0.02 0.00 -1.84 0.00 0.00 35.03 31.54 4rub n LYS 9 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 4rub s LYS 10 N -3.55 4.22 0.46 1.97 -0.14 -1.26 -4.99 119.74 116.45 4rub s LYS 10 Ca 0.43 2.39 0.08 0.00 -1.36 0.00 0.00 55.97 57.51 4rub s LYS 10 Cb 0.40 -3.08 0.01 0.00 -1.68 0.00 0.00 37.83 33.49 4rub s LYS 10 CO -0.05 -0.48 0.50 0.15 -0.76 0.00 0.00 175.35 174.72 4rub s LYS 11 N -0.54 2.52 -0.29 1.68 -0.14 -1.26 -5.06 119.74 116.65 4rub s LYS 11 Ca 0.60 -1.55 0.20 0.00 -1.36 0.00 0.00 55.97 53.85 4rub s LYS 11 Cb -0.44 -2.48 0.48 0.00 -1.68 0.00 0.00 37.83 33.72 4rub s LYS 11 CO 0.46 -0.39 1.08 0.66 -0.76 0.00 0.00 175.35 176.39 4rub n TYR 12 N -1.78 0.95 -4.55 3.18 4.02 -1.26 -5.09 117.16 112.64 4rub n TYR 12 Ca 0.06 -2.36 0.00 0.00 -0.01 0.00 0.00 57.90 55.59 4rub n TYR 12 Cb 0.61 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 4rub n TYR 12 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 4rub n GLU 13 N -0.44 0.00 -1.63 -0.72 -0.58 -1.26 -4.53 120.64 111.48 4rub n GLU 13 Ca 0.06 0.00 -0.50 0.00 -0.42 0.00 0.00 57.16 56.31 4rub n GLU 13 Cb 0.81 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.63 4rub n GLU 13 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 4rub n THR 14 N 0.00 0.04 0.00 2.62 -1.04 -1.26 -2.07 114.28 112.57 4rub n THR 14 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 4rub n THR 14 Cb 0.00 -1.19 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 4rub n THR 14 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 4rub n LEU 15 N 3.22 0.00 0.00 -4.42 4.77 -1.26 -4.46 117.00 114.85 4rub n LEU 15 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 4rub n LEU 15 Cb 0.23 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.33 4rub n LEU 15 CO 0.64 0.00 0.10 -1.54 -1.33 0.00 0.00 177.39 175.26 4rub n SER 16 N 0.00 0.00 -0.25 -1.43 3.41 -0.88 -1.69 113.62 112.78 4rub n SER 16 Ca 0.00 -0.31 0.04 0.00 -0.26 0.00 0.00 58.87 58.35 4rub n SER 16 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 4rub n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 4rub n TYR 17 N -0.53 0.00 -3.56 7.33 4.02 -1.26 -4.84 117.16 118.32 4rub n TYR 17 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.70 4rub n TYR 17 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.31 4rub n TYR 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 4rub s LEU 18 N -1.22 3.99 0.58 7.72 1.43 -0.68 -5.08 118.68 125.41 4rub s LEU 18 Ca 0.08 -0.17 -0.21 0.00 -1.03 0.00 0.00 54.13 52.80 4rub s LEU 18 Cb 0.07 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 4rub s LEU 18 CO 0.17 -0.38 1.34 -2.65 0.23 0.00 0.00 176.35 175.07 4rub n PRO 19 N -1.59 1.54 -1.20 1.29 -0.02 -1.26 -4.83 135.00 128.93 4rub n PRO 19 Ca -0.01 0.57 -0.47 0.00 -2.02 0.00 0.00 63.50 61.57 4rub n PRO 19 Cb 0.58 -2.57 -0.07 0.00 -0.02 0.00 0.00 33.50 31.43 4rub n PRO 19 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 4rub n ASP 20 N -1.26 0.33 -4.71 2.55 9.92 -1.26 -4.78 116.55 117.34 4rub n ASP 20 Ca 0.12 0.88 -0.42 0.00 -0.53 0.00 0.00 54.79 54.84 4rub n ASP 20 Cb 0.46 -0.68 -0.03 0.00 -0.64 0.00 0.00 41.12 40.23 4rub n ASP 20 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 4rub s LEU 21 N 0.84 4.36 0.71 0.64 1.43 -1.26 -5.00 118.68 120.40 4rub s LEU 21 Ca 0.72 2.13 -0.12 0.00 -1.03 0.00 0.00 54.13 55.84 4rub s LEU 21 Cb -1.02 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 41.65 4rub s LEU 21 CO 0.50 -0.57 1.08 -0.94 0.23 0.00 0.00 176.35 176.64 4rub s SER 22 N 1.20 5.02 0.54 2.29 1.04 -1.26 -4.74 113.70 117.80 4rub s SER 22 Ca 0.61 1.77 0.23 0.00 0.48 0.00 0.00 55.95 59.03 4rub s SER 22 Cb -0.32 -2.52 1.43 0.00 0.10 0.00 0.00 66.02 64.71 4rub s SER 22 CO 0.29 -1.68 2.10 -0.61 0.98 0.00 0.00 173.24 174.31 4rub h GLN 23 N -0.69 0.00 0.00 4.02 4.15 -1.98 0.92 115.11 121.54 4rub h GLN 23 Ca -0.44 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.98 4rub h GLN 23 Cb 1.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 4rub h GLN 23 CO 0.54 0.00 -0.00 1.49 -1.93 0.00 0.00 178.83 178.93 4rub h GLU 24 N 0.00 -0.00 -0.51 1.69 4.57 -1.99 0.24 114.58 118.58 4rub h GLU 24 Ca 0.10 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.36 4rub h GLU 24 Cb 0.44 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.97 4rub h GLU 24 CO -0.00 0.43 0.17 1.96 -1.18 0.00 0.00 179.01 180.39 4rub h GLN 25 N -0.44 0.33 -0.67 1.92 4.20 -1.65 -0.34 115.11 118.46 4rub h GLN 25 Ca -0.00 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 4rub h GLN 25 Cb 0.44 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 4rub h GLN 25 CO 0.00 0.22 0.13 1.25 -0.67 0.00 0.00 178.83 179.75 4rub h LEU 26 N 0.34 1.04 -1.32 1.46 6.46 0.90 -2.26 115.31 121.92 4rub h LEU 26 Ca 0.25 -0.25 0.08 0.00 -0.12 0.00 0.00 57.88 57.84 4rub h LEU 26 Cb 0.28 -0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 39.89 4rub h LEU 26 CO -0.27 1.03 0.52 0.25 -0.62 0.00 0.00 178.44 179.35 4rub h LEU 27 N 1.02 0.70 -0.85 2.25 6.46 0.40 -0.96 115.31 124.34 4rub h LEU 27 Ca 0.21 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 58.01 4rub h LEU 27 Cb 0.41 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.15 4rub h LEU 27 CO 0.01 0.44 0.55 0.28 -0.62 0.00 0.00 178.44 179.09 4rub h SER 28 N 0.79 0.90 0.20 1.25 0.02 -0.51 0.14 113.55 116.34 4rub h SER 28 Ca 0.35 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.29 4rub h SER 28 Cb 0.34 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.68 4rub h SER 28 CO -0.13 0.62 -0.10 -0.33 -1.14 0.00 0.00 176.83 175.75 4rub h GLU 29 N 1.06 -0.26 -1.11 3.45 3.07 -1.07 0.27 114.58 119.99 4rub h GLU 29 Ca 0.34 0.02 0.32 0.00 -0.50 0.00 0.00 59.36 59.54 4rub h GLU 29 Cb 0.02 0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 27.94 4rub h GLU 29 CO -0.12 -0.17 0.79 0.28 -1.40 0.00 0.00 179.01 178.39 4rub h VAL 30 N -0.28 0.45 -0.31 3.13 2.07 -1.43 0.29 116.25 120.17 4rub h VAL 30 Ca -0.03 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 4rub h VAL 30 Cb 0.21 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 4rub h VAL 30 CO 0.05 0.01 0.10 -0.08 0.02 0.00 0.00 177.57 177.66 4rub h GLU 31 N 0.03 0.48 -0.52 1.57 4.81 -0.48 -2.36 114.58 118.12 4rub h GLU 31 Ca 0.54 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.65 4rub h GLU 31 Cb 2.08 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 31.36 4rub h GLU 31 CO -0.03 0.53 0.28 -0.92 -0.73 0.00 0.00 179.01 178.14 4rub h TYR 32 N 0.34 0.71 -0.09 0.92 3.20 0.17 0.74 116.97 122.96 4rub h TYR 32 Ca 0.10 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.99 4rub h TYR 32 Cb 0.25 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.23 4rub h TYR 32 CO 0.01 0.53 -0.27 1.25 -1.64 0.00 0.00 178.16 178.04 4rub h LEU 33 N 0.69 -0.82 0.66 2.82 5.85 -1.38 -1.49 115.31 121.64 4rub h LEU 33 Ca 0.18 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 59.00 4rub h LEU 33 Cb 0.05 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.44 4rub h LEU 33 CO -0.03 -0.32 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.32 4rub h LEU 34 N -0.36 -0.87 -1.44 2.25 3.38 -1.22 -1.64 115.31 115.41 4rub h LEU 34 Ca 0.09 0.04 0.45 0.00 0.09 0.00 0.00 57.88 58.55 4rub h LEU 34 Cb 0.49 0.24 -0.13 0.00 0.09 0.00 0.00 40.66 41.35 4rub h LEU 34 CO -0.30 -0.58 0.89 0.50 0.09 0.00 0.00 178.44 179.04 4rub h LYS 35 N -0.94 0.05 0.00 1.13 3.11 -0.50 -0.16 116.57 119.26 4rub h LYS 35 Ca -0.09 -0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.61 4rub h LYS 35 Cb 0.74 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.94 4rub h LYS 35 CO 0.12 0.04 -1.04 -0.91 -2.81 0.00 0.00 179.45 174.85 4rub h ASN 36 N 0.06 0.00 0.00 4.20 4.21 -0.50 -3.48 115.58 120.06 4rub h ASN 36 Ca 0.84 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.35 4rub h ASN 36 Cb 2.72 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.92 4rub h ASN 36 CO -0.41 0.53 0.00 0.61 -1.29 0.00 0.00 177.43 176.87 4rub n GLY 37 N 1.32 1.41 3.81 2.83 0.00 -0.07 -5.09 105.19 109.40 4rub n GLY 37 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 4rub n GLY 37 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 4rub s TRP 38 N -2.00 3.67 -0.10 1.61 0.51 -0.69 -4.84 118.94 117.10 4rub s TRP 38 Ca 0.00 1.45 -0.29 0.00 -2.12 0.00 0.00 56.10 55.14 4rub s TRP 38 Cb 0.00 -2.66 -0.02 0.00 -0.81 0.00 0.00 33.47 29.98 4rub s TRP 38 CO 0.00 0.34 0.96 0.08 -0.51 0.00 0.00 176.95 177.82 4rub s VAL 39 N -1.50 4.82 0.44 4.03 1.01 -0.83 -4.53 120.40 123.84 4rub s VAL 39 Ca 0.43 1.95 -0.21 0.00 0.00 0.00 0.00 61.98 64.14 4rub s VAL 39 Cb -0.17 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 31.84 4rub s VAL 39 CO 0.22 0.04 0.99 -2.16 0.00 0.00 0.00 175.10 174.18 4rub s PRO 40 N 1.87 4.11 0.04 2.72 0.05 -1.26 -1.51 135.00 141.02 4rub s PRO 40 Ca 0.46 1.25 -0.15 0.00 0.05 0.00 0.00 61.00 62.61 4rub s PRO 40 Cb -0.18 -2.23 0.02 0.00 0.05 0.00 0.00 34.50 32.16 4rub s PRO 40 CO 0.18 -0.14 0.33 0.00 0.05 0.00 0.00 177.00 177.42 4rub s LEU 42 N -2.00 2.18 -0.10 0.00 1.02 -1.26 -0.82 118.68 117.70 4rub s LEU 42 Ca -0.06 -0.53 -0.12 0.00 0.02 0.00 0.00 54.13 53.45 4rub s LEU 42 Cb -0.01 -0.94 0.03 0.00 0.02 0.00 0.00 46.19 45.29 4rub s LEU 42 CO -0.03 0.14 0.32 -1.61 0.02 0.00 0.00 176.35 175.20 4rub s GLU 43 N -1.22 0.44 0.07 1.70 2.02 -1.09 0.25 118.70 120.87 4rub s GLU 43 Ca 0.07 0.32 0.03 0.00 0.02 0.00 0.00 54.97 55.41 4rub s GLU 43 Cb -0.09 0.21 -0.03 0.00 0.10 0.00 0.00 34.13 34.32 4rub s GLU 43 CO 0.02 -0.07 -0.10 -0.59 0.02 0.00 0.00 175.26 174.54 4rub s PHE 44 N -0.14 0.94 -0.02 1.61 -0.71 -0.42 -0.19 117.98 119.06 4rub s PHE 44 Ca -0.03 -0.58 -0.00 0.00 -1.04 0.00 0.00 56.93 55.27 4rub s PHE 44 Cb -0.03 -0.53 0.02 0.00 -1.21 0.00 0.00 43.02 41.27 4rub s PHE 44 CO 0.01 -0.03 0.04 -2.00 -1.34 0.00 0.00 175.22 171.90 4rub s GLU 45 N -2.25 -0.00 0.00 1.99 2.56 -0.39 -0.92 118.70 119.69 4rub s GLU 45 Ca -0.01 0.15 0.08 0.00 0.00 0.00 0.00 54.97 55.19 4rub s GLU 45 Cb -0.06 -0.15 0.07 0.00 2.00 0.00 0.00 34.13 35.99 4rub s GLU 45 CO 0.00 -0.11 0.77 0.25 -0.56 0.00 0.00 175.26 175.61 4rub n THR 46 N 3.77 0.03 0.00 -1.70 -2.24 -1.26 -0.85 114.28 112.04 4rub n THR 46 Ca -0.22 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 4rub n THR 46 Cb 0.54 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 4rub n THR 46 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 4rub n GLU 47 N 0.44 1.70 -3.63 -0.78 2.13 -1.26 -4.91 120.64 114.33 4rub n GLU 47 Ca 0.05 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.60 4rub n GLU 47 Cb 0.21 -0.78 -0.10 0.00 0.27 0.00 0.00 31.44 31.03 4rub n GLU 47 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 4rub n HIS 48 N -1.51 2.21 0.20 4.31 8.25 -1.26 -4.90 115.22 122.51 4rub n HIS 48 Ca 0.00 -4.02 0.18 0.00 -0.26 0.00 0.00 57.72 53.62 4rub n HIS 48 Cb 0.28 -0.41 0.77 0.00 1.12 0.00 0.00 29.99 31.75 4rub n HIS 48 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 4rub h GLY 49 N 5.05 0.00 -3.93 -1.41 0.00 -1.92 -3.42 103.07 97.44 4rub h GLY 49 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.37 4rub h GLY 49 CO 0.65 0.00 -0.66 -1.36 0.00 0.00 0.00 176.54 175.17 4rub s PHE 50 N -4.39 0.39 0.63 5.60 0.08 -1.26 -5.11 117.98 113.91 4rub s PHE 50 Ca -0.04 -0.81 -0.18 0.00 0.12 0.00 0.00 56.93 56.03 4rub s PHE 50 Cb 0.12 -0.29 -0.05 0.00 -0.57 0.00 0.00 43.02 42.24 4rub s PHE 50 CO 0.43 -0.32 0.78 1.33 -0.10 0.00 0.00 175.22 177.34 4rub n VAL 51 N 0.70 3.01 -4.05 -0.44 0.24 -1.26 -4.82 118.33 111.70 4rub n VAL 51 Ca -0.18 -0.47 -0.03 0.00 -2.04 0.00 0.00 64.34 61.61 4rub n VAL 51 Cb 0.59 -0.95 -0.01 0.00 -1.47 0.00 0.00 33.84 31.99 4rub n VAL 51 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 4rub n TYR 52 N -1.92 -0.10 -2.86 6.34 4.11 0.30 -4.97 117.16 118.06 4rub n TYR 52 Ca 0.13 -0.45 -0.12 0.00 -0.00 0.00 0.00 57.90 57.46 4rub n TYR 52 Cb 0.48 0.04 0.03 0.00 -0.00 0.00 0.00 39.34 39.89 4rub n TYR 52 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 4rub n ARG 53 N -0.11 0.82 -0.09 -3.48 1.74 -1.26 0.29 116.66 114.57 4rub n ARG 53 Ca 0.01 -2.16 -0.13 0.00 -0.77 0.00 0.00 57.85 54.79 4rub n ARG 53 Cb 0.10 -1.35 -0.07 0.00 -1.02 0.00 0.00 32.46 30.12 4rub n ARG 53 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 4rub h GLU 54 N 3.75 0.00 0.00 5.56 4.22 -1.97 -3.41 114.58 122.73 4rub h GLU 54 Ca -0.08 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.29 4rub h GLU 54 Cb 1.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 4rub h GLU 54 CO 0.33 0.52 -0.30 -0.91 -2.18 0.00 0.00 179.01 176.47 4rub h ASN 55 N -1.00 0.00 -5.01 1.04 -0.26 -1.99 -3.47 115.58 104.88 4rub h ASN 55 Ca -0.18 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.53 4rub h ASN 55 Cb 0.91 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 38.05 4rub h ASN 55 CO -0.11 0.30 0.15 0.21 -1.06 0.00 0.00 177.43 176.92 4rub s ASN 56 N -6.46 -0.51 -0.03 5.81 2.47 -1.26 -5.03 114.94 109.93 4rub s ASN 56 Ca -0.01 -0.02 0.05 0.00 0.42 0.00 0.00 52.86 53.30 4rub s ASN 56 Cb 0.12 0.57 0.07 0.00 -1.45 0.00 0.00 41.25 40.56 4rub s ASN 56 CO 0.67 -0.92 0.91 0.29 -3.72 0.00 0.00 177.10 174.32 4rub n LYS 57 N -0.26 0.95 -0.47 0.43 5.02 -1.26 -4.76 118.16 117.80 4rub n LYS 57 Ca -0.17 -1.37 -0.28 0.00 -2.02 0.00 0.00 58.31 54.47 4rub n LYS 57 Cb 0.64 -0.85 0.27 0.00 -0.02 0.00 0.00 35.03 35.07 4rub n LYS 57 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 4rub s SER 58 N -1.22 0.52 0.34 4.39 1.04 -1.26 -4.83 113.70 112.68 4rub s SER 58 Ca 0.08 1.45 -0.29 0.00 0.48 0.00 0.00 55.95 57.67 4rub s SER 58 Cb 0.07 -2.24 -0.10 0.00 0.10 0.00 0.00 66.02 63.85 4rub s SER 58 CO 0.01 -4.47 1.38 -2.84 0.98 0.00 0.00 173.24 168.29 4rub s PRO 59 N -4.45 4.27 0.00 4.02 0.02 -1.26 -2.28 135.00 135.32 4rub s PRO 59 Ca 0.69 2.34 0.00 0.00 0.02 0.00 0.00 61.00 64.04 4rub s PRO 59 Cb -0.25 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.23 4rub s PRO 59 CO 0.65 -0.32 0.00 0.41 -0.33 0.00 0.00 177.00 177.41 4rub n GLY 60 N 0.84 2.68 3.68 0.52 0.00 -1.26 -5.01 105.19 106.63 4rub n GLY 60 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 4rub n GLY 60 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 4rub s TYR 61 N -2.54 3.40 -0.03 1.61 5.04 -0.97 -5.04 117.35 118.82 4rub s TYR 61 Ca 0.00 0.71 -0.03 0.00 -2.44 0.00 0.00 57.07 55.32 4rub s TYR 61 Cb 0.00 -2.57 0.01 0.00 0.35 0.00 0.00 41.96 39.75 4rub s TYR 61 CO 0.00 0.00 0.08 0.71 -1.34 0.00 0.00 175.55 175.01 4rub s TYR 62 N 1.26 -0.09 0.47 4.97 2.02 -1.26 -4.62 117.35 120.09 4rub s TYR 62 Ca 0.22 0.22 -0.05 0.00 -0.37 0.00 0.00 57.07 57.09 4rub s TYR 62 Cb -0.15 0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.40 4rub s TYR 62 CO 0.09 -0.05 0.77 -0.51 -1.57 0.00 0.00 175.55 174.28 4rub s ASP 63 N 0.08 6.29 0.00 2.29 1.01 0.14 -4.45 116.67 122.04 4rub s ASP 63 Ca -0.00 0.92 0.00 0.00 0.71 0.00 0.00 52.55 54.18 4rub s ASP 63 Cb -0.01 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 41.68 4rub s ASP 63 CO -0.00 -0.54 0.00 0.61 0.21 0.00 0.00 175.17 175.45 4rub n GLY 64 N -2.14 0.63 0.12 0.21 0.00 -1.26 -0.54 105.19 102.21 4rub n GLY 64 Ca 0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 4rub n GLY 64 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 4rub h ARG 65 N 1.64 0.25 -6.81 1.61 3.08 -1.94 -3.38 114.38 108.83 4rub h ARG 65 Ca 0.00 -0.42 -0.51 0.00 0.07 0.00 0.00 59.98 59.12 4rub h ARG 65 Cb 0.00 0.16 0.04 0.00 0.08 0.00 0.00 29.97 30.24 4rub h ARG 65 CO 0.00 1.20 0.55 0.71 -1.07 0.00 0.00 179.97 181.36 4rub s TYR 66 N -2.46 3.36 0.40 3.04 2.02 -1.26 -5.06 117.35 117.38 4rub s TYR 66 Ca -0.19 1.54 0.04 0.00 -0.37 0.00 0.00 57.07 58.10 4rub s TYR 66 Cb 0.04 -3.46 -0.05 0.00 -0.40 0.00 0.00 41.96 38.08 4rub s TYR 66 CO 0.77 -1.16 0.04 -1.58 -1.57 0.00 0.00 175.55 172.06 4rub s TRP 67 N -0.97 2.11 0.01 2.71 0.52 -1.26 -5.10 118.94 116.96 4rub s TRP 67 Ca 0.48 -0.90 -0.22 0.00 0.02 0.00 0.00 56.10 55.47 4rub s TRP 67 Cb -0.35 -1.50 -0.05 0.00 -1.15 0.00 0.00 33.47 30.42 4rub s TRP 67 CO 0.45 0.16 0.67 0.99 0.02 0.00 0.00 176.95 179.23 4rub s THR 68 N -3.00 4.86 0.24 2.01 2.01 -0.09 -4.90 115.64 116.76 4rub s THR 68 Ca 0.28 1.40 -0.30 0.00 0.31 0.00 0.00 61.69 63.39 4rub s THR 68 Cb 0.07 -4.01 -0.09 0.00 0.01 0.00 0.00 72.50 68.48 4rub s THR 68 CO 0.14 0.38 1.34 -0.32 -0.69 0.00 0.00 174.62 175.47 4rub s MET 69 N -0.04 4.36 -0.40 4.92 1.75 -1.26 -1.30 119.30 127.32 4rub s MET 69 Ca 0.34 2.15 -0.19 0.00 -1.25 0.00 0.00 55.69 56.74 4rub s MET 69 Cb -0.19 -3.15 0.01 0.00 2.84 0.00 0.00 34.83 34.35 4rub s MET 69 CO 0.19 -0.27 0.56 -0.46 -0.65 0.00 0.00 175.02 174.40 4rub s TRP 70 N -0.21 3.13 0.00 4.11 -0.11 0.69 -4.89 118.94 121.66 4rub s TRP 70 Ca 0.55 -0.01 0.00 0.00 1.22 0.00 0.00 56.10 57.86 4rub s TRP 70 Cb -0.38 -3.11 0.00 0.00 -1.50 0.00 0.00 33.47 28.47 4rub s TRP 70 CO 0.42 -0.72 0.00 1.63 -4.62 0.00 0.00 176.95 173.67 4rub n LYS 71 N 5.96 0.00 -4.23 5.86 5.02 -1.26 -4.40 118.16 125.11 4rub n LYS 71 Ca -0.04 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.12 4rub n LYS 71 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.39 4rub n LYS 71 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 4rub s LEU 72 N 0.00 2.08 0.21 -0.35 1.02 -1.26 -5.08 118.68 115.30 4rub s LEU 72 Ca 0.00 -1.18 -0.31 0.00 0.02 0.00 0.00 54.13 52.66 4rub s LEU 72 Cb 0.00 -0.01 -0.10 0.00 0.02 0.00 0.00 46.19 46.09 4rub s LEU 72 CO 0.00 -0.59 1.53 -2.16 0.02 0.00 0.00 176.35 175.16 4rub s PRO 73 N -3.93 4.22 -1.17 1.29 0.04 -1.26 -4.74 135.00 129.44 4rub s PRO 73 Ca 0.24 2.38 -0.16 0.00 0.04 0.00 0.00 61.00 63.50 4rub s PRO 73 Cb 0.06 -3.12 0.13 0.00 0.04 0.00 0.00 34.50 31.61 4rub s PRO 73 CO 0.04 -0.55 1.47 0.00 0.04 0.00 0.00 177.00 178.00 4rub s MET 74 N 0.38 3.95 0.73 4.56 0.23 -0.76 -4.96 119.30 123.43 4rub s MET 74 Ca 0.66 -2.17 -0.14 0.00 -1.03 0.00 0.00 55.69 53.01 4rub s MET 74 Cb -0.44 -5.20 0.04 0.00 -1.53 0.00 0.00 34.83 27.70 4rub s MET 74 CO 0.38 -1.94 1.15 -0.06 -2.03 0.00 0.00 175.02 172.51 4rub s PHE 75 N 2.77 2.30 0.00 3.16 0.08 -1.26 -3.33 117.98 121.69 4rub s PHE 75 Ca 0.45 1.60 0.00 0.00 0.12 0.00 0.00 56.93 59.09 4rub s PHE 75 Cb -0.01 -3.28 0.00 0.00 -0.57 0.00 0.00 43.02 39.16 4rub s PHE 75 CO -0.00 -2.16 0.00 0.41 -0.10 0.00 0.00 175.22 173.37 4rub n GLY 76 N -0.20 0.64 3.75 4.36 0.00 -1.26 -4.98 105.19 107.50 4rub n GLY 76 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 4rub n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4rub n THR 78 N -1.04 0.00 -3.27 0.00 -2.24 -1.26 -5.00 114.28 101.48 4rub n THR 78 Ca 0.10 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.44 4rub n THR 78 Cb 0.46 1.41 -0.06 0.00 -2.10 0.00 0.00 70.33 70.05 4rub n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 4rub s ASP 79 N 0.00 6.18 0.35 3.42 2.15 -1.26 -4.87 116.67 122.64 4rub s ASP 79 Ca 0.00 -1.44 0.12 0.00 0.43 0.00 0.00 52.55 51.67 4rub s ASP 79 Cb 0.00 -2.23 0.94 0.00 -0.30 0.00 0.00 42.92 41.33 4rub s ASP 79 CO 0.00 -0.86 1.75 0.00 -0.17 0.00 0.00 175.17 175.90 4rub h ALA 80 N 8.93 1.94 -0.60 3.66 0.00 -1.94 0.46 119.26 131.71 4rub h ALA 80 Ca -0.29 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 4rub h ALA 80 Cb 1.10 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 4rub h ALA 80 CO 0.99 -0.36 0.22 1.79 0.00 0.00 0.00 179.25 181.89 4rub h THR 81 N 0.54 1.22 -0.29 0.00 1.35 -1.97 -2.19 112.91 111.58 4rub h THR 81 Ca 0.61 -0.70 -0.02 0.00 -0.55 0.00 0.00 66.41 65.75 4rub h THR 81 Cb 1.27 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 4rub h THR 81 CO -0.39 0.28 0.12 -0.61 -0.25 0.00 0.00 175.52 174.67 4rub h GLN 82 N 0.86 0.43 -0.29 4.72 4.15 -0.48 -0.45 115.11 124.05 4rub h GLN 82 Ca 0.20 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.50 4rub h GLN 82 Cb 0.20 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 4rub h GLN 82 CO -0.02 0.44 -0.03 -0.39 -1.93 0.00 0.00 178.83 176.91 4rub h VAL 83 N 0.32 1.19 -0.67 2.39 -1.51 -1.12 -0.31 116.25 116.53 4rub h VAL 83 Ca 0.10 -0.75 -0.01 0.00 -1.23 0.00 0.00 66.70 64.80 4rub h VAL 83 Cb 0.17 1.00 -0.03 0.00 -2.13 0.00 0.00 31.29 30.30 4rub h VAL 83 CO -0.01 0.25 0.37 0.25 -1.23 0.00 0.00 177.57 177.20 4rub h LEU 84 N 0.43 0.83 -0.42 4.19 6.46 -0.88 -1.27 115.31 124.64 4rub h LEU 84 Ca 0.09 -0.06 0.08 0.00 -0.12 0.00 0.00 57.88 57.87 4rub h LEU 84 Cb 0.32 -0.21 -0.09 0.00 -0.73 0.00 0.00 40.66 39.95 4rub h LEU 84 CO 0.01 0.67 -0.30 0.00 -0.62 0.00 0.00 178.44 178.20 4rub h ALA 85 N 1.47 -0.11 -0.68 1.25 0.00 0.59 -1.62 119.26 120.17 4rub h ALA 85 Ca 0.24 0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.38 4rub h ALA 85 Cb 0.03 0.67 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 4rub h ALA 85 CO -0.04 -0.69 0.25 0.93 0.00 0.00 0.00 179.25 179.70 4rub h GLU 86 N -0.22 0.40 -0.46 0.00 4.39 -0.40 0.79 114.58 119.08 4rub h GLU 86 Ca 0.19 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.95 4rub h GLU 86 Cb 0.52 -0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.00 4rub h GLU 86 CO -0.54 0.27 -0.05 0.28 -1.16 0.00 0.00 179.01 177.80 4rub h VAL 87 N 0.41 0.60 -0.07 3.13 2.07 -0.38 0.65 116.25 122.66 4rub h VAL 87 Ca 0.36 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.88 4rub h VAL 87 Cb 0.50 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 4rub h VAL 87 CO -0.36 0.01 -0.11 1.23 0.02 0.00 0.00 177.57 178.36 4rub h GLY 88 N 0.06 -0.07 0.21 2.17 0.00 -0.59 -0.46 103.07 104.39 4rub h GLY 88 Ca 0.23 0.13 0.18 0.00 0.00 0.00 0.00 47.33 47.88 4rub h GLY 88 CO -0.42 -0.12 0.61 -2.09 0.00 0.00 0.00 176.54 174.52 4rub h GLU 89 N -0.16 0.71 0.00 4.80 4.57 0.17 -1.44 114.58 123.24 4rub h GLU 89 Ca 0.07 -0.04 -0.24 0.00 -1.18 0.00 0.00 59.36 57.96 4rub h GLU 89 Cb 0.25 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 4rub h GLU 89 CO -0.16 0.47 -1.27 0.00 -1.18 0.00 0.00 179.01 176.87 4rub h ALA 90 N 1.62 0.52 0.00 2.92 0.00 0.17 -3.17 119.26 121.32 4rub h ALA 90 Ca 0.55 -1.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 4rub h ALA 90 Cb 0.89 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 4rub h ALA 90 CO -0.33 1.37 -0.16 1.57 0.00 0.00 0.00 179.25 181.70 4rub h LYS 91 N 0.00 0.00 -6.37 0.00 2.10 -0.37 0.39 116.57 112.32 4rub h LYS 91 Ca -0.12 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 57.99 4rub h LYS 91 Cb 1.85 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.17 4rub h LYS 91 CO 0.11 0.16 0.57 0.21 -2.00 0.00 0.00 179.45 178.50 4rub s LYS 92 N -4.10 4.43 0.00 0.07 2.36 -0.62 -1.69 119.74 120.19 4rub s LYS 92 Ca -0.02 1.60 0.00 0.00 -2.55 0.00 0.00 55.97 54.99 4rub s LYS 92 Cb 0.13 -3.48 0.00 0.00 -1.05 0.00 0.00 37.83 33.43 4rub s LYS 92 CO 0.61 -0.30 0.00 0.00 1.55 0.00 0.00 175.35 177.21 4rub n ALA 93 N 4.58 0.00 -3.32 3.13 0.00 -1.25 -4.78 120.51 118.87 4rub n ALA 93 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.27 4rub n ALA 93 Cb 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 4rub n ALA 93 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 4rub n TYR 94 N 0.00 2.03 0.28 0.00 4.01 0.14 -4.87 117.16 118.74 4rub n TYR 94 Ca 0.00 -3.91 0.12 0.00 -0.16 0.00 0.00 57.90 53.94 4rub n TYR 94 Cb 0.00 -0.47 0.77 0.00 -0.31 0.00 0.00 39.34 39.33 4rub n TYR 94 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 4rub h PRO 95 N 4.08 0.00 -0.59 -0.72 0.11 -1.52 0.12 132.00 133.48 4rub h PRO 95 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 4rub h PRO 95 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 4rub h PRO 95 CO 0.68 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.49 4rub n GLN 96 N -4.14 2.50 -2.45 1.05 -0.00 -1.26 -4.52 117.38 108.56 4rub n GLN 96 Ca -0.03 -2.32 -0.27 0.00 -0.00 0.00 0.00 57.00 54.38 4rub n GLN 96 Cb 0.10 -1.51 0.02 0.00 -0.00 0.00 0.00 30.24 28.85 4rub n GLN 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 4rub s ALA 97 N -1.22 3.33 -0.11 2.61 0.00 0.41 -4.71 121.76 122.07 4rub s ALA 97 Ca 0.43 -0.58 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 4rub s ALA 97 Cb 0.23 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 4rub s ALA 97 CO 0.30 -0.62 0.05 -1.58 0.00 0.00 0.00 175.76 173.91 4rub s TRP 98 N -2.91 3.29 0.05 0.00 0.51 -0.03 -3.44 118.94 116.42 4rub s TRP 98 Ca 0.51 0.27 0.05 0.00 -2.12 0.00 0.00 56.10 54.81 4rub s TRP 98 Cb -0.10 -1.87 -0.02 0.00 -0.81 0.00 0.00 33.47 30.66 4rub s TRP 98 CO 0.46 0.50 -0.14 0.42 -0.51 0.00 0.00 176.95 177.68 4rub s ILE 99 N -0.76 1.11 0.10 2.03 1.01 0.23 -1.26 121.20 123.65 4rub s ILE 99 Ca 0.12 -1.13 -0.00 0.00 0.00 0.00 0.00 60.65 59.64 4rub s ILE 99 Cb -0.12 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 4rub s ILE 99 CO 0.03 -0.10 -0.00 -0.60 0.00 0.00 0.00 174.94 174.27 4rub s ARG 100 N -1.41 0.82 -0.07 2.79 3.52 0.74 -1.34 118.95 124.01 4rub s ARG 100 Ca -0.00 -1.36 0.04 0.00 -0.13 0.00 0.00 55.73 54.28 4rub s ARG 100 Cb -0.09 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 4rub s ARG 100 CO 0.02 -0.15 -0.18 0.42 -0.81 0.00 0.00 175.30 174.60 4rub s ILE 101 N -3.89 1.53 0.24 4.11 1.01 -0.66 -2.66 121.20 120.87 4rub s ILE 101 Ca 0.16 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 60.14 4rub s ILE 101 Cb 0.07 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 41.16 4rub s ILE 101 CO -0.03 0.44 -0.07 0.27 0.00 0.00 0.00 174.94 175.55 4rub s ILE 102 N 0.31 1.46 -0.17 2.92 -4.36 0.00 -1.05 121.20 120.32 4rub s ILE 102 Ca -0.11 -2.11 -0.00 0.00 -0.26 0.00 0.00 60.65 58.16 4rub s ILE 102 Cb -0.15 -2.27 0.04 0.00 1.25 0.00 0.00 42.46 41.33 4rub s ILE 102 CO 0.05 -0.42 -0.07 -0.83 0.24 0.00 0.00 174.94 173.90 4rub s GLY 103 N -3.35 1.05 -0.14 6.27 0.00 -0.27 -1.14 107.32 109.74 4rub s GLY 103 Ca 0.26 -0.93 -0.26 0.00 0.00 0.00 0.00 44.72 43.79 4rub s GLY 103 CO 0.09 0.84 0.86 -1.36 0.00 0.00 0.00 173.10 173.54 4rub s PHE 104 N 1.56 3.47 -1.00 1.90 0.08 -0.57 0.19 117.98 123.62 4rub s PHE 104 Ca 0.01 1.35 -0.16 0.00 0.12 0.00 0.00 56.93 58.25 4rub s PHE 104 Cb -0.15 -3.04 0.16 0.00 -0.57 0.00 0.00 43.02 39.42 4rub s PHE 104 CO -0.08 -0.19 1.15 0.34 -0.10 0.00 0.00 175.22 176.34 4rub s ASP 105 N 1.10 6.80 0.48 1.36 -1.08 -0.21 -1.96 116.67 123.15 4rub s ASP 105 Ca 0.41 -2.47 0.22 0.00 -0.52 0.00 0.00 52.55 50.19 4rub s ASP 105 Cb -0.17 -2.36 1.18 0.00 -1.46 0.00 0.00 42.92 40.11 4rub s ASP 105 CO 0.15 -0.86 1.62 -0.55 0.52 0.00 0.00 175.17 176.04 4rub h ASN 106 N 8.13 0.00 1.04 -0.34 7.08 -1.88 0.12 115.58 129.73 4rub h ASN 106 Ca 0.19 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 53.23 4rub h ASN 106 Cb 0.98 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 37.19 4rub h ASN 106 CO 1.08 0.00 -1.00 0.58 -2.08 0.00 0.00 177.43 176.02 4rub h VAL 107 N 0.00 1.21 0.00 6.14 2.07 -1.96 -3.32 116.25 120.40 4rub h VAL 107 Ca 0.00 -2.81 0.00 0.00 0.82 0.00 0.00 66.70 64.71 4rub h VAL 107 Cb 0.56 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 4rub h VAL 107 CO 0.00 0.69 -1.41 0.54 0.02 0.00 0.00 177.57 177.41 4rub n ARG 108 N -3.22 0.91 -3.56 1.57 1.74 -0.91 -5.01 116.66 108.19 4rub n ARG 108 Ca -0.03 -0.10 -0.20 0.00 -0.77 0.00 0.00 57.85 56.75 4rub n ARG 108 Cb 0.88 -1.35 0.07 0.00 -1.02 0.00 0.00 32.46 31.05 4rub n ARG 108 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 4rub n GLN 109 N -1.84 -6.49 -4.31 5.56 6.02 0.38 -5.01 117.38 111.69 4rub n GLN 109 Ca -0.01 0.78 -0.21 0.00 -0.01 0.00 0.00 57.00 57.55 4rub n GLN 109 Cb 0.37 -5.71 -0.11 0.00 1.02 0.00 0.00 30.24 25.81 4rub n GLN 109 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 4rub s VAL 110 N -3.41 1.72 -0.51 5.09 -7.23 -1.20 -4.96 120.40 109.89 4rub s VAL 110 Ca 0.17 -1.86 -0.28 0.00 -1.81 0.00 0.00 61.98 58.20 4rub s VAL 110 Cb -0.08 -1.77 0.03 0.00 0.56 0.00 0.00 36.38 35.12 4rub s VAL 110 CO 0.75 -0.32 1.09 -1.10 -0.31 0.00 0.00 175.10 175.21 4rub s GLN 111 N -2.74 3.58 0.07 4.82 -0.21 -1.26 -1.05 119.66 122.87 4rub s GLN 111 Ca 0.14 0.31 0.24 0.00 0.02 0.00 0.00 55.36 56.06 4rub s GLN 111 Cb -0.06 -3.96 0.95 0.00 1.00 0.00 0.00 33.01 30.95 4rub s GLN 111 CO 0.06 -1.45 1.74 0.00 -2.12 0.00 0.00 175.29 173.52 4rub s ILE 113 N -3.06 0.00 -0.29 0.00 2.07 -1.21 -4.92 121.20 113.79 4rub s ILE 113 Ca 0.10 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 59.12 4rub s ILE 113 Cb 0.14 -1.00 0.16 0.00 0.13 0.00 0.00 42.46 41.89 4rub s ILE 113 CO 0.45 0.00 1.22 -0.55 -1.91 0.00 0.00 174.94 174.14 4rub s SER 114 N -2.58 -0.25 -0.23 4.50 0.15 -1.26 -1.11 113.70 112.91 4rub s SER 114 Ca 0.01 0.45 -0.25 0.00 0.70 0.00 0.00 55.95 56.87 4rub s SER 114 Cb -0.01 0.65 0.07 0.00 -1.71 0.00 0.00 66.02 65.02 4rub s SER 114 CO -0.11 -0.08 0.68 0.72 1.20 0.00 0.00 173.24 175.66 4rub s PHE 115 N 0.44 -0.74 -0.01 3.44 -0.12 -0.21 -4.56 117.98 116.22 4rub s PHE 115 Ca 0.01 1.75 -0.30 0.00 -0.05 0.00 0.00 56.93 58.34 4rub s PHE 115 Cb -0.04 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.58 4rub s PHE 115 CO -0.12 -0.39 1.19 -1.50 -0.05 0.00 0.00 175.22 174.35 4rub s ILE 116 N 0.17 4.21 -0.49 -4.49 2.07 -1.26 -1.65 121.20 119.75 4rub s ILE 116 Ca -0.01 1.56 0.23 0.00 -1.41 0.00 0.00 60.65 61.02 4rub s ILE 116 Cb -0.04 -4.00 -0.00 0.00 0.13 0.00 0.00 42.46 38.54 4rub s ILE 116 CO 0.02 0.05 1.17 0.00 -1.91 0.00 0.00 174.94 174.27 4rub n ALA 117 N 4.64 2.88 -3.29 1.50 0.00 -0.45 -4.91 120.51 120.88 4rub n ALA 117 Ca 0.10 -0.27 0.03 0.00 0.00 0.00 0.00 53.44 53.29 4rub n ALA 117 Cb 0.47 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 4rub n ALA 117 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 4rub s TYR 118 N -3.24 -0.51 0.26 0.00 6.14 -0.71 -4.96 117.35 114.33 4rub s TYR 118 Ca 0.03 0.79 -0.00 0.00 0.64 0.00 0.00 57.07 58.53 4rub s TYR 118 Cb 0.12 0.27 -0.04 0.00 0.42 0.00 0.00 41.96 42.74 4rub s TYR 118 CO 0.76 -0.26 0.45 0.15 0.64 0.00 0.00 175.55 177.29 4rub s LYS 119 N 2.47 3.52 0.89 4.97 1.02 -1.26 0.74 119.74 132.08 4rub s LYS 119 Ca -0.01 -0.34 -0.12 0.00 0.02 0.00 0.00 55.97 55.52 4rub s LYS 119 Cb -0.06 -2.77 0.17 0.00 -0.52 0.00 0.00 37.83 34.65 4rub s LYS 119 CO -0.16 0.31 1.22 -1.25 -0.92 0.00 0.00 175.35 174.56 4rub s PRO 120 N -3.68 1.00 -0.07 -1.68 0.04 -1.22 -4.94 135.00 124.44 4rub s PRO 120 Ca 0.39 -0.57 -0.36 0.00 0.04 0.00 0.00 61.00 60.51 4rub s PRO 120 Cb -0.10 -1.98 -0.13 0.00 0.04 0.00 0.00 34.50 32.32 4rub s PRO 120 CO 0.31 -2.10 1.75 0.39 0.04 0.00 0.00 177.00 177.38 4rub n GLU 121 N -3.49 1.84 -2.18 4.56 1.02 -1.26 -3.55 120.64 117.58 4rub n GLU 121 Ca 0.15 0.67 -0.00 0.00 -0.02 0.00 0.00 57.16 57.95 4rub n GLU 121 Cb 0.60 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 4rub n GLU 121 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 4rub n GLY 122 N 4.01 0.59 0.00 0.62 0.00 -1.26 -5.16 105.19 103.98 4rub n GLY 122 Ca 0.22 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.71 4rub n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60