#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 0.57 -0.31 2.12 1.11 -1.26 -5.10 119.66 116.79 4rub s GLN 2 Ca 0.00 -0.29 -0.29 0.00 0.01 0.00 0.00 55.36 54.79 4rub s GLN 2 Cb 0.00 -0.54 -0.01 0.00 -1.01 0.00 0.00 33.01 31.45 4rub s GLN 2 CO 0.00 0.15 1.57 0.08 0.01 0.00 0.00 175.29 177.10 4rub s VAL 3 N -0.25 3.74 0.04 1.09 1.01 -1.26 -4.94 120.40 119.84 4rub s VAL 3 Ca 0.02 0.80 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 4rub s VAL 3 Cb -0.03 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 4rub s VAL 3 CO -0.00 -0.47 1.78 0.86 0.00 0.00 0.00 175.10 177.26 4rub s TRP 4 N 5.62 1.94 0.43 5.22 -0.11 -1.26 -4.87 118.94 125.91 4rub s TRP 4 Ca 0.69 0.00 -0.26 0.00 1.22 0.00 0.00 56.10 57.76 4rub s TRP 4 Cb -0.20 -4.07 -0.08 0.00 -1.50 0.00 0.00 33.47 27.61 4rub s TRP 4 CO 0.31 -4.54 1.35 -1.25 -4.62 0.00 0.00 176.95 168.20 4rub s PRO 5 N 3.50 3.84 0.00 5.86 0.04 -1.26 -4.94 135.00 142.04 4rub s PRO 5 Ca 0.79 2.26 0.27 0.00 0.04 0.00 0.00 61.00 64.36 4rub s PRO 5 Cb -0.40 -2.71 0.77 0.00 0.04 0.00 0.00 34.50 32.20 4rub s PRO 5 CO 0.35 -0.64 1.58 -0.35 0.04 0.00 0.00 177.00 177.98 4rub n PRO 6 N -0.02 1.34 -0.01 0.56 -0.04 -1.26 -4.77 135.00 130.79 4rub n PRO 6 Ca 0.04 -0.85 -0.02 0.00 -0.04 0.00 0.00 63.50 62.63 4rub n PRO 6 Cb 0.43 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.08 0.10 -3.15 0.52 -5.35 -1.26 -4.87 119.36 105.27 4rub n ILE 7 Ca 0.15 -0.03 -0.30 0.00 -0.27 0.00 0.00 62.75 62.30 4rub n ILE 7 Cb 0.38 -1.40 -0.05 0.00 -1.74 0.00 0.00 39.64 36.84 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 -3.01 4.67 -2.68 7.28 3.02 -1.26 -4.80 115.26 118.47 4rub n ASN 8 Ca -0.03 -3.54 -0.16 0.00 -0.03 0.00 0.00 54.58 50.81 4rub n ASN 8 Cb 0.53 -0.76 0.01 0.00 -0.61 0.00 0.00 39.78 38.95 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 0.49 1.93 -2.11 3.52 4.76 -1.26 -5.06 118.16 120.42 4rub n LYS 9 Ca 0.31 -3.74 -0.41 0.00 -2.87 0.00 0.00 58.31 51.60 4rub n LYS 9 Cb 0.38 -1.65 -0.02 0.00 -1.84 0.00 0.00 35.03 31.89 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 -3.19 4.34 0.41 1.97 -0.14 -1.26 -4.99 119.74 116.88 4rub s LYS 10 Ca 0.36 2.20 0.08 0.00 -1.36 0.00 0.00 55.97 57.25 4rub s LYS 10 Cb 0.42 -3.12 -0.02 0.00 -1.68 0.00 0.00 37.83 33.43 4rub s LYS 10 CO -0.05 -0.28 0.38 0.15 -0.76 0.00 0.00 175.35 174.80 4rub s LYS 11 N -0.89 2.55 -0.33 1.68 -0.14 -1.26 -5.07 119.74 116.28 4rub s LYS 11 Ca 0.54 -1.52 0.17 0.00 -1.36 0.00 0.00 55.97 53.80 4rub s LYS 11 Cb -0.40 -2.39 0.44 0.00 -1.68 0.00 0.00 37.83 33.80 4rub s LYS 11 CO 0.46 -0.19 0.92 0.66 -0.76 0.00 0.00 175.35 176.44 4rub n TYR 12 N -1.56 0.89 -2.61 3.18 4.01 -1.26 -5.10 117.16 114.71 4rub n TYR 12 Ca 0.04 -2.96 0.00 0.00 -0.16 0.00 0.00 57.90 54.82 4rub n TYR 12 Cb 0.62 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 4rub n TYR 12 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 4rub n GLU 13 N -0.01 0.00 -1.62 -0.72 -0.58 -1.26 -4.53 120.64 111.92 4rub n GLU 13 Ca 0.12 0.00 -0.49 0.00 -0.42 0.00 0.00 57.16 56.36 4rub n GLU 13 Cb 0.79 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.61 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 0.12 0.00 2.62 -1.04 -1.26 -2.39 114.28 112.32 4rub n THR 14 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 4rub n THR 14 Cb 0.00 -1.09 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 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 2.75 0.00 0.00 -4.42 4.77 -1.26 -4.48 117.00 114.37 4rub n LEU 15 Ca 0.17 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.16 4rub n LEU 15 Cb 0.23 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.37 4rub n LEU 15 CO 0.62 0.00 0.21 -1.54 -1.33 0.00 0.00 177.39 175.35 4rub n SER 16 N 0.00 0.00 -0.35 -1.43 3.41 -1.01 -2.07 113.62 112.17 4rub n SER 16 Ca 0.00 -0.50 0.05 0.00 -0.26 0.00 0.00 58.87 58.16 4rub n SER 16 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 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 -0.60 0.00 -3.95 7.33 4.02 -1.26 -4.81 117.16 117.89 4rub n TYR 17 Ca 0.01 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.69 4rub n TYR 17 Cb 0.01 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.29 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 -0.98 3.64 0.60 7.72 1.43 -0.88 -5.09 118.68 125.12 4rub s LEU 18 Ca 0.11 -0.43 -0.19 0.00 -1.03 0.00 0.00 54.13 52.59 4rub s LEU 18 Cb 0.08 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 4rub s LEU 18 CO 0.15 -0.23 1.20 -2.84 0.23 0.00 0.00 176.35 174.86 4rub s PRO 19 N -3.92 2.96 -0.35 1.29 0.02 -1.26 -4.84 135.00 128.89 4rub s PRO 19 Ca 0.38 1.80 -0.34 0.00 0.02 0.00 0.00 61.00 62.86 4rub s PRO 19 Cb -0.06 -1.93 -0.14 0.00 0.02 0.00 0.00 34.50 32.38 4rub s PRO 19 CO 0.26 -1.21 1.15 -0.25 -0.33 0.00 0.00 177.00 176.61 4rub n ASP 20 N -1.64 0.85 -4.73 2.53 9.92 -1.26 -4.76 116.55 117.46 4rub n ASP 20 Ca 0.13 0.86 -0.42 0.00 -0.53 0.00 0.00 54.79 54.84 4rub n ASP 20 Cb 0.50 -0.64 -0.03 0.00 -0.64 0.00 0.00 41.12 40.31 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 2.11 4.38 0.83 0.64 1.43 -1.26 -5.00 118.68 121.81 4rub s LEU 21 Ca 0.76 2.46 -0.12 0.00 -1.03 0.00 0.00 54.13 56.19 4rub s LEU 21 Cb -1.08 -3.60 0.09 0.00 0.03 0.00 0.00 46.19 41.63 4rub s LEU 21 CO 0.59 -0.67 1.12 -0.94 0.23 0.00 0.00 176.35 176.68 4rub s SER 22 N 0.82 4.27 0.42 2.29 1.04 -1.26 -4.74 113.70 116.54 4rub s SER 22 Ca 0.63 1.13 0.14 0.00 0.48 0.00 0.00 55.95 58.33 4rub s SER 22 Cb -0.39 -1.79 0.92 0.00 0.10 0.00 0.00 66.02 64.86 4rub s SER 22 CO 0.34 -2.09 1.94 -0.61 0.98 0.00 0.00 173.24 173.80 4rub h GLN 23 N -1.18 0.00 0.49 4.02 4.15 -1.98 0.73 115.11 121.34 4rub h GLN 23 Ca -0.48 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 58.92 4rub h GLN 23 Cb 1.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.99 4rub h GLN 23 CO 0.61 0.25 -0.23 1.49 -1.93 0.00 0.00 178.83 179.02 4rub h GLU 24 N 0.00 -0.63 -0.66 1.69 4.57 -1.98 0.78 114.58 118.34 4rub h GLU 24 Ca -0.00 0.04 0.13 0.00 -1.18 0.00 0.00 59.36 58.35 4rub h GLU 24 Cb 0.44 0.14 -0.10 0.00 -0.16 0.00 0.00 28.75 29.08 4rub h GLU 24 CO 0.03 -0.33 0.13 1.96 -1.18 0.00 0.00 179.01 179.63 4rub h GLN 25 N -0.97 0.24 -0.69 1.92 4.20 -1.78 -0.12 115.11 117.91 4rub h GLN 25 Ca -0.07 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 4rub h GLN 25 Cb 0.60 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 4rub h GLN 25 CO 0.11 0.16 0.19 1.25 -0.67 0.00 0.00 178.83 179.87 4rub h LEU 26 N 0.25 1.02 -1.50 1.46 6.46 0.52 -2.35 115.31 121.18 4rub h LEU 26 Ca 0.36 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 4rub h LEU 26 Cb 0.57 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 4rub h LEU 26 CO -0.46 0.97 0.18 0.25 -0.62 0.00 0.00 178.44 178.76 4rub h LEU 27 N 1.04 0.46 -1.51 2.25 6.46 0.91 -2.01 115.31 122.92 4rub h LEU 27 Ca 0.22 -0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.90 4rub h LEU 27 Cb 0.33 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 4rub h LEU 27 CO -0.00 0.40 -0.24 -1.28 -0.62 0.00 0.00 178.44 176.69 4rub h SER 28 N 0.52 0.00 0.23 1.25 0.87 -0.65 -0.92 113.55 114.86 4rub h SER 28 Ca 0.13 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 4rub h SER 28 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 4rub h SER 28 CO -0.02 0.24 -0.11 -0.33 -0.53 0.00 0.00 176.83 176.08 4rub h GLU 29 N 0.00 -0.30 -0.52 2.24 3.07 -1.31 -1.56 114.58 116.19 4rub h GLU 29 Ca -0.00 0.02 0.12 0.00 -0.50 0.00 0.00 59.36 59.00 4rub h GLU 29 Cb 0.53 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.48 4rub h GLU 29 CO 0.03 -0.06 0.36 0.28 -1.40 0.00 0.00 179.01 178.22 4rub h VAL 30 N -1.03 0.81 0.57 3.13 2.07 -1.50 -1.59 116.25 118.72 4rub h VAL 30 Ca -0.03 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 4rub h VAL 30 Cb 0.38 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 4rub h VAL 30 CO 0.05 0.03 -0.35 -0.33 0.02 0.00 0.00 177.57 176.99 4rub h GLU 31 N 0.16 -0.84 -0.63 1.57 5.08 -1.12 -2.22 114.58 116.58 4rub h GLU 31 Ca 0.25 0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.75 4rub h GLU 31 Cb 0.76 0.19 -0.06 0.00 0.50 0.00 0.00 28.75 30.14 4rub h GLU 31 CO -0.04 -0.56 0.29 -0.92 -1.00 0.00 0.00 179.01 176.79 4rub h TYR 32 N -0.87 0.53 0.05 4.33 3.20 -0.36 -0.74 116.97 123.11 4rub h TYR 32 Ca -0.07 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.86 4rub h TYR 32 Cb 0.71 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.79 4rub h TYR 32 CO -0.10 0.19 -0.32 1.25 -1.64 0.00 0.00 178.16 177.54 4rub h LEU 33 N 0.52 -0.95 0.77 2.82 5.85 -1.34 -1.78 115.31 121.19 4rub h LEU 33 Ca 0.31 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 59.11 4rub h LEU 33 Cb 0.31 0.37 0.01 0.00 0.37 0.00 0.00 40.66 41.72 4rub h LEU 33 CO -0.25 -0.40 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.01 4rub h LEU 34 N -0.51 -0.88 -0.90 2.25 3.38 -0.90 -2.02 115.31 115.73 4rub h LEU 34 Ca 0.05 0.03 0.32 0.00 0.09 0.00 0.00 57.88 58.37 4rub h LEU 34 Cb 0.57 0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.45 4rub h LEU 34 CO -0.23 -0.63 0.57 1.17 0.09 0.00 0.00 178.44 179.41 4rub n LYS 35 N -4.79 -0.03 0.06 1.13 0.00 -0.33 -0.25 118.16 113.96 4rub n LYS 35 Ca -0.13 0.88 -0.01 0.00 0.00 0.00 0.00 58.31 59.04 4rub n LYS 35 Cb 0.41 -1.70 -0.06 0.00 0.00 0.00 0.00 35.03 33.68 4rub n LYS 35 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 4rub h ASN 36 N 0.00 0.00 0.00 3.14 4.21 -0.58 -3.48 115.58 118.87 4rub h ASN 36 Ca 0.60 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.11 4rub h ASN 36 Cb 1.88 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.08 4rub h ASN 36 CO -0.36 0.67 0.00 0.61 -1.29 0.00 0.00 177.43 177.06 4rub n GLY 37 N 1.36 1.01 3.76 2.83 0.00 0.66 -5.09 105.19 109.72 4rub n GLY 37 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 3.38 -0.26 1.61 0.51 -1.07 -4.88 118.94 116.23 4rub s TRP 38 Ca 0.00 1.62 -0.25 0.00 -2.12 0.00 0.00 56.10 55.35 4rub s TRP 38 Cb 0.00 -3.36 -0.00 0.00 -0.81 0.00 0.00 33.47 29.30 4rub s TRP 38 CO 0.00 -0.91 0.85 0.08 -0.51 0.00 0.00 176.95 176.46 4rub s VAL 39 N -1.24 4.80 0.34 4.03 1.01 -0.78 -4.53 120.40 124.03 4rub s VAL 39 Ca 0.48 1.53 -0.27 0.00 0.00 0.00 0.00 61.98 63.72 4rub s VAL 39 Cb -0.32 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 31.81 4rub s VAL 39 CO 0.42 -0.14 1.14 -2.84 0.00 0.00 0.00 175.10 173.68 4rub s PRO 40 N 2.93 4.37 0.05 2.72 0.02 -1.26 -1.29 135.00 142.54 4rub s PRO 40 Ca 0.36 1.82 0.01 0.00 0.02 0.00 0.00 61.00 63.20 4rub s PRO 40 Cb -0.15 -2.93 -0.03 0.00 0.02 0.00 0.00 34.50 31.41 4rub s PRO 40 CO 0.09 -0.04 -0.05 0.00 -0.33 0.00 0.00 177.00 176.67 4rub s LEU 42 N -2.19 2.28 -0.04 0.00 1.02 -1.26 -1.56 118.68 116.93 4rub s LEU 42 Ca -0.03 -0.71 -0.05 0.00 0.02 0.00 0.00 54.13 53.36 4rub s LEU 42 Cb -0.02 -1.24 0.01 0.00 0.02 0.00 0.00 46.19 44.96 4rub s LEU 42 CO -0.04 0.20 0.13 -1.61 0.02 0.00 0.00 176.35 175.05 4rub s GLU 43 N -1.86 0.23 0.10 1.70 2.02 -1.02 0.30 118.70 120.17 4rub s GLU 43 Ca 0.13 0.05 0.03 0.00 0.02 0.00 0.00 54.97 55.20 4rub s GLU 43 Cb -0.10 0.10 -0.04 0.00 0.10 0.00 0.00 34.13 34.19 4rub s GLU 43 CO 0.05 -0.04 -0.08 -0.59 0.02 0.00 0.00 175.26 174.62 4rub s PHE 44 N -0.27 0.98 -0.07 1.61 -0.71 0.60 -1.08 117.98 119.05 4rub s PHE 44 Ca -0.03 -0.81 -0.04 0.00 -1.04 0.00 0.00 56.93 55.01 4rub s PHE 44 Cb -0.03 -0.55 0.03 0.00 -1.21 0.00 0.00 43.02 41.27 4rub s PHE 44 CO 0.00 -0.07 0.16 -2.00 -1.34 0.00 0.00 175.22 171.97 4rub s GLU 45 N -3.49 0.13 0.00 1.99 2.56 -0.79 -0.69 118.70 118.42 4rub s GLU 45 Ca 0.10 0.32 0.06 0.00 0.00 0.00 0.00 54.97 55.46 4rub s GLU 45 Cb 0.02 -0.07 -0.01 0.00 2.00 0.00 0.00 34.13 36.07 4rub s GLU 45 CO -0.02 -0.11 0.45 0.25 -0.56 0.00 0.00 175.26 175.27 4rub n THR 46 N 3.75 0.00 0.00 -1.70 -2.24 -1.26 -0.24 114.28 112.58 4rub n THR 46 Ca -0.21 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 4rub n THR 46 Cb 0.55 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 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 -0.48 1.44 -3.55 -0.78 2.13 -1.26 -4.87 120.64 113.27 4rub n GLU 47 Ca 0.02 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.57 4rub n GLU 47 Cb 0.12 -0.81 -0.10 0.00 0.27 0.00 0.00 31.44 30.93 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 -1.73 2.19 0.10 4.31 8.25 -1.26 -4.90 115.22 122.18 4rub n HIS 48 Ca 0.00 -3.99 0.20 0.00 -0.26 0.00 0.00 57.72 53.67 4rub n HIS 48 Cb 0.31 -0.42 0.71 0.00 1.12 0.00 0.00 29.99 31.71 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 4.80 0.00 -3.11 -1.41 0.00 -1.92 -3.42 103.07 98.01 4rub h GLY 49 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.26 4rub h GLY 49 CO 0.67 0.00 -0.70 -1.36 0.00 0.00 0.00 176.54 175.14 4rub s PHE 50 N -4.50 0.93 0.67 5.60 0.08 -1.26 -5.12 117.98 114.38 4rub s PHE 50 Ca -0.04 -0.86 -0.17 0.00 0.12 0.00 0.00 56.93 55.98 4rub s PHE 50 Cb 0.14 -0.53 0.00 0.00 -0.57 0.00 0.00 43.02 42.06 4rub s PHE 50 CO 0.48 -0.11 1.27 0.14 -0.10 0.00 0.00 175.22 176.90 4rub s VAL 51 N -3.43 2.11 0.32 -0.44 -7.23 -1.26 -4.76 120.40 105.71 4rub s VAL 51 Ca 0.11 0.06 0.07 0.00 -1.81 0.00 0.00 61.98 60.42 4rub s VAL 51 Cb 0.04 -2.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 4rub s VAL 51 CO -0.04 -0.02 0.25 0.00 -0.31 0.00 0.00 175.10 174.99 4rub n TYR 52 N -2.12 -0.67 -3.14 2.82 4.11 0.37 -4.97 117.16 113.56 4rub n TYR 52 Ca 0.15 -2.63 -0.21 0.00 -0.00 0.00 0.00 57.90 55.21 4rub n TYR 52 Cb 0.49 0.25 -0.04 0.00 -0.00 0.00 0.00 39.34 40.03 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 -0.62 0.81 -0.07 -3.48 1.74 -1.26 0.10 116.66 113.87 4rub n ARG 53 Ca 0.06 -3.13 -0.07 0.00 -0.77 0.00 0.00 57.85 53.94 4rub n ARG 53 Cb 0.57 -1.38 -0.04 0.00 -1.02 0.00 0.00 32.46 30.59 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 3.65 0.00 0.00 5.56 4.22 -1.97 -3.39 114.58 122.65 4rub h GLU 54 Ca 0.06 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.47 4rub h GLU 54 Cb 0.93 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 4rub h GLU 54 CO 0.45 0.26 -0.14 -0.91 -2.18 0.00 0.00 179.01 176.48 4rub h ASN 55 N -1.00 0.00 -5.02 1.04 -0.26 -1.99 -3.47 115.58 104.88 4rub h ASN 55 Ca -0.07 0.00 0.16 0.00 -0.56 0.00 0.00 56.30 55.83 4rub h ASN 55 Cb 0.58 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 37.73 4rub h ASN 55 CO -0.04 0.14 0.51 0.21 -1.06 0.00 0.00 177.43 177.19 4rub s ASN 56 N -6.03 -0.26 -0.03 5.81 2.47 -1.26 -5.06 114.94 110.59 4rub s ASN 56 Ca 0.01 -0.20 0.06 0.00 0.42 0.00 0.00 52.86 53.14 4rub s ASN 56 Cb 0.10 0.42 0.09 0.00 -1.45 0.00 0.00 41.25 40.41 4rub s ASN 56 CO 0.60 -0.73 1.05 0.29 -3.72 0.00 0.00 177.10 174.59 4rub n LYS 57 N -0.36 0.28 -0.96 0.43 5.02 -1.26 -4.73 118.16 116.59 4rub n LYS 57 Ca -0.07 -1.42 -0.28 0.00 -2.02 0.00 0.00 58.31 54.51 4rub n LYS 57 Cb 0.61 -0.68 0.21 0.00 -0.02 0.00 0.00 35.03 35.15 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 -1.48 1.84 0.34 4.39 1.04 -1.26 -4.83 113.70 113.74 4rub s SER 58 Ca 0.09 1.22 -0.28 0.00 0.48 0.00 0.00 55.95 57.46 4rub s SER 58 Cb 0.09 -1.90 -0.12 0.00 0.10 0.00 0.00 66.02 64.19 4rub s SER 58 CO -0.01 -3.62 1.30 -2.65 0.98 0.00 0.00 173.24 169.24 4rub n PRO 59 N -4.50 2.14 -0.37 4.02 -0.02 -1.26 -1.86 135.00 133.15 4rub n PRO 59 Ca 0.05 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 4rub n PRO 59 Cb 0.57 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 4rub n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4rub n GLY 60 N 0.79 1.87 3.70 -1.23 0.00 -1.26 -5.00 105.19 104.05 4rub n GLY 60 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.03 3.42 -0.10 1.61 6.14 -0.77 -5.05 117.35 119.57 4rub s TYR 61 Ca 0.00 0.62 -0.06 0.00 0.64 0.00 0.00 57.07 58.27 4rub s TYR 61 Cb 0.00 -2.45 0.04 0.00 0.42 0.00 0.00 41.96 39.97 4rub s TYR 61 CO 0.00 0.10 0.23 0.71 0.64 0.00 0.00 175.55 177.23 4rub s TYR 62 N 0.91 -0.29 0.40 4.97 2.02 -1.26 -4.63 117.35 119.47 4rub s TYR 62 Ca 0.18 0.71 -0.03 0.00 -0.37 0.00 0.00 57.07 57.56 4rub s TYR 62 Cb -0.14 0.04 -0.04 0.00 -0.40 0.00 0.00 41.96 41.42 4rub s TYR 62 CO 0.07 -0.20 0.66 -0.51 -1.57 0.00 0.00 175.55 174.00 4rub s ASP 63 N 0.98 6.31 0.00 2.29 1.01 0.28 -4.47 116.67 123.07 4rub s ASP 63 Ca -0.07 0.72 0.00 0.00 0.71 0.00 0.00 52.55 53.91 4rub s ASP 63 Cb -0.08 -2.15 0.00 0.00 1.01 0.00 0.00 42.92 41.69 4rub s ASP 63 CO -0.06 -0.41 0.00 0.61 0.21 0.00 0.00 175.17 175.52 4rub n GLY 64 N -1.86 0.81 0.07 0.21 0.00 -1.26 -0.48 105.19 102.67 4rub n GLY 64 Ca -0.02 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 2.79 0.00 -6.82 1.61 3.08 -1.92 -3.39 114.38 109.72 4rub h ARG 65 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 4rub h ARG 65 Cb 0.00 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.09 4rub h ARG 65 CO 0.00 0.81 0.58 0.71 -1.07 0.00 0.00 179.97 180.99 4rub s TYR 66 N -2.11 3.27 0.46 3.04 2.02 -1.26 -5.05 117.35 117.72 4rub s TYR 66 Ca -0.16 1.49 0.04 0.00 -0.37 0.00 0.00 57.07 58.08 4rub s TYR 66 Cb -0.02 -3.52 -0.05 0.00 -0.40 0.00 0.00 41.96 37.97 4rub s TYR 66 CO 0.55 -1.37 0.01 -1.58 -1.57 0.00 0.00 175.55 171.59 4rub s TRP 67 N -0.97 2.21 -0.06 2.71 0.52 -1.26 -5.09 118.94 117.00 4rub s TRP 67 Ca 0.48 -0.81 -0.23 0.00 0.02 0.00 0.00 56.10 55.57 4rub s TRP 67 Cb -0.36 -1.70 -0.04 0.00 -1.15 0.00 0.00 33.47 30.22 4rub s TRP 67 CO 0.46 0.34 0.68 0.99 0.02 0.00 0.00 176.95 179.45 4rub s THR 68 N -2.79 5.03 0.05 2.01 2.01 0.14 -4.87 115.64 117.22 4rub s THR 68 Ca 0.21 1.41 -0.31 0.00 0.31 0.00 0.00 61.69 63.32 4rub s THR 68 Cb 0.06 -4.02 -0.06 0.00 0.01 0.00 0.00 72.50 68.49 4rub s THR 68 CO 0.11 0.27 1.32 -0.32 -0.69 0.00 0.00 174.62 175.31 4rub s MET 69 N 0.67 4.34 -0.44 4.92 1.75 -1.26 -0.29 119.30 129.00 4rub s MET 69 Ca 0.36 1.91 -0.24 0.00 -1.25 0.00 0.00 55.69 56.47 4rub s MET 69 Cb -0.18 -3.41 0.02 0.00 2.84 0.00 0.00 34.83 34.11 4rub s MET 69 CO 0.18 -0.43 0.86 -0.46 -0.65 0.00 0.00 175.02 174.52 4rub s TRP 70 N 1.60 2.98 0.00 4.11 -0.11 0.15 -4.84 118.94 122.82 4rub s TRP 70 Ca 0.62 0.35 0.00 0.00 1.22 0.00 0.00 56.10 58.29 4rub s TRP 70 Cb -0.32 -3.78 0.00 0.00 -1.50 0.00 0.00 33.47 27.88 4rub s TRP 70 CO 0.28 -1.00 0.00 1.63 -4.62 0.00 0.00 176.95 173.24 4rub n LYS 71 N 6.90 0.00 -4.27 5.86 5.02 -1.26 -4.37 118.16 126.04 4rub n LYS 71 Ca 0.04 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.19 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 2.25 0.13 -0.35 1.02 -1.26 -5.07 118.68 115.40 4rub s LEU 72 Ca 0.00 -1.14 -0.31 0.00 0.02 0.00 0.00 54.13 52.69 4rub s LEU 72 Cb 0.00 -0.18 -0.09 0.00 0.02 0.00 0.00 46.19 45.94 4rub s LEU 72 CO 0.00 -0.49 1.54 -2.16 0.02 0.00 0.00 176.35 175.26 4rub s PRO 73 N -3.86 4.24 -1.12 1.29 0.04 -1.26 -4.69 135.00 129.64 4rub s PRO 73 Ca 0.23 2.29 -0.17 0.00 0.04 0.00 0.00 61.00 63.39 4rub s PRO 73 Cb 0.05 -3.26 0.14 0.00 0.04 0.00 0.00 34.50 31.47 4rub s PRO 73 CO 0.04 -0.59 1.38 0.00 0.04 0.00 0.00 177.00 177.87 4rub s MET 74 N 1.41 3.89 0.75 4.56 0.23 -0.32 -4.96 119.30 124.86 4rub s MET 74 Ca 0.69 -2.14 -0.15 0.00 -1.03 0.00 0.00 55.69 53.06 4rub s MET 74 Cb -0.41 -5.10 0.05 0.00 -1.53 0.00 0.00 34.83 27.83 4rub s MET 74 CO 0.31 -1.87 1.23 -0.06 -2.03 0.00 0.00 175.02 172.60 4rub s PHE 75 N 2.53 1.93 0.00 3.16 0.08 -1.26 -3.41 117.98 121.01 4rub s PHE 75 Ca 0.41 1.60 0.00 0.00 0.12 0.00 0.00 56.93 59.07 4rub s PHE 75 Cb -0.02 -3.54 0.00 0.00 -0.57 0.00 0.00 43.02 38.88 4rub s PHE 75 CO -0.03 -2.83 0.00 0.41 -0.10 0.00 0.00 175.22 172.67 4rub n GLY 76 N 0.59 0.00 3.77 4.36 0.00 -1.26 -4.97 105.19 107.67 4rub n GLY 76 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.47 0.02 -3.02 0.00 -2.24 -1.26 -4.97 114.28 102.35 4rub n THR 78 Ca 0.07 -0.06 -0.44 0.00 -2.27 0.00 0.00 64.05 61.35 4rub n THR 78 Cb 0.46 1.70 -0.03 0.00 -2.10 0.00 0.00 70.33 70.36 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 -0.02 6.41 0.34 3.42 2.15 -1.26 -4.85 116.67 122.86 4rub s ASP 79 Ca 0.00 -1.71 0.14 0.00 0.43 0.00 0.00 52.55 51.41 4rub s ASP 79 Cb 0.00 -2.35 1.03 0.00 -0.30 0.00 0.00 42.92 41.30 4rub s ASP 79 CO 0.00 -1.10 1.70 0.00 -0.17 0.00 0.00 175.17 175.60 4rub h ALA 80 N 8.97 1.96 -0.07 3.66 0.00 -1.93 0.66 119.26 132.51 4rub h ALA 80 Ca -0.09 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 4rub h ALA 80 Cb 1.06 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 4rub h ALA 80 CO 1.08 -0.50 -0.21 1.79 0.00 0.00 0.00 179.25 181.41 4rub h THR 81 N 0.42 1.19 -0.29 0.00 1.35 -1.96 -2.82 112.91 110.80 4rub h THR 81 Ca 0.69 -0.87 -0.02 0.00 -0.55 0.00 0.00 66.41 65.66 4rub h THR 81 Cb 1.53 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 69.30 4rub h THR 81 CO -0.52 0.26 0.10 0.06 -0.25 0.00 0.00 175.52 175.17 4rub h GLN 82 N 0.11 0.44 -0.66 4.72 3.07 -0.05 -1.53 115.11 121.21 4rub h GLN 82 Ca 0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 58.65 58.66 4rub h GLN 82 Cb 0.44 -0.07 -0.03 0.00 0.08 0.00 0.00 27.48 27.90 4rub h GLN 82 CO 0.03 0.48 0.37 -0.39 0.09 0.00 0.00 178.83 179.41 4rub h VAL 83 N 0.31 1.20 -0.88 1.86 -1.51 -1.42 -1.64 116.25 114.17 4rub h VAL 83 Ca 0.09 -0.50 0.06 0.00 -1.23 0.00 0.00 66.70 65.13 4rub h VAL 83 Cb 0.21 0.33 -0.06 0.00 -2.13 0.00 0.00 31.29 29.65 4rub h VAL 83 CO -0.01 0.22 0.55 0.25 -1.23 0.00 0.00 177.57 177.35 4rub h LEU 84 N 0.90 0.87 -0.45 4.19 6.46 -1.35 -2.31 115.31 123.61 4rub h LEU 84 Ca 0.23 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 58.09 4rub h LEU 84 Cb 0.02 -0.17 -0.10 0.00 -0.73 0.00 0.00 40.66 39.69 4rub h LEU 84 CO -0.04 0.55 -0.34 0.00 -0.62 0.00 0.00 178.44 177.99 4rub h ALA 85 N 1.41 -0.18 -0.43 1.25 0.00 -0.32 -1.68 119.26 119.31 4rub h ALA 85 Ca 0.38 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.50 4rub h ALA 85 Cb 0.17 0.75 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 4rub h ALA 85 CO -0.17 -0.73 -0.20 0.93 0.00 0.00 0.00 179.25 179.08 4rub h GLU 86 N -0.24 -0.11 -0.60 0.00 4.39 -1.04 0.18 114.58 117.16 4rub h GLU 86 Ca 0.18 0.01 0.12 0.00 0.34 0.00 0.00 59.36 60.01 4rub h GLU 86 Cb 0.55 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.12 4rub h GLU 86 CO -0.58 -0.07 0.05 0.28 -1.16 0.00 0.00 179.01 177.53 4rub h VAL 87 N -0.11 0.55 0.05 3.13 2.07 -0.88 0.20 116.25 121.27 4rub h VAL 87 Ca 0.21 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.69 4rub h VAL 87 Cb 0.43 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 4rub h VAL 87 CO -0.50 0.03 -0.16 1.23 0.02 0.00 0.00 177.57 178.19 4rub h GLY 88 N 0.17 -0.24 0.40 2.17 0.00 -0.84 -1.60 103.07 103.12 4rub h GLY 88 Ca 0.32 0.18 0.13 0.00 0.00 0.00 0.00 47.33 47.96 4rub h GLY 88 CO -0.47 -0.15 0.61 -2.09 0.00 0.00 0.00 176.54 174.43 4rub h GLU 89 N -0.29 0.90 0.11 4.80 4.57 0.10 -2.59 114.58 122.19 4rub h GLU 89 Ca 0.04 -0.05 -0.27 0.00 -1.18 0.00 0.00 59.36 57.90 4rub h GLU 89 Cb 0.33 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 4rub h GLU 89 CO -0.12 0.60 -1.22 0.00 -1.18 0.00 0.00 179.01 177.09 4rub h ALA 90 N 1.55 0.15 0.00 2.92 0.00 0.24 -3.09 119.26 121.03 4rub h ALA 90 Ca 0.51 -0.91 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 4rub h ALA 90 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 4rub h ALA 90 CO -0.29 1.03 -0.07 1.57 0.00 0.00 0.00 179.25 181.49 4rub h LYS 91 N 0.06 0.00 -6.23 0.00 2.10 -1.08 0.47 116.57 111.90 4rub h LYS 91 Ca -0.12 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 57.97 4rub h LYS 91 Cb 1.94 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.24 4rub h LYS 91 CO 0.19 0.07 0.68 0.21 -2.00 0.00 0.00 179.45 178.60 4rub s LYS 92 N -4.35 4.35 0.00 0.07 2.20 -1.00 -1.91 119.74 119.10 4rub s LYS 92 Ca -0.04 1.49 0.00 0.00 -0.36 0.00 0.00 55.97 57.06 4rub s LYS 92 Cb 0.14 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 4rub s LYS 92 CO 0.57 -0.45 0.00 0.00 -0.36 0.00 0.00 175.35 175.11 4rub n ALA 93 N 5.46 0.00 -3.26 3.13 0.00 -1.25 -4.78 120.51 119.81 4rub n ALA 93 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.29 4rub n ALA 93 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 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 2.25 0.11 0.00 4.01 0.16 -4.89 117.16 118.80 4rub n TYR 94 Ca 0.00 -3.93 0.11 0.00 -0.16 0.00 0.00 57.90 53.92 4rub n TYR 94 Cb 0.00 -0.48 0.61 0.00 -0.31 0.00 0.00 39.34 39.16 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 3.81 0.13 -0.32 -0.72 0.11 -1.58 -0.73 132.00 132.70 4rub h PRO 95 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 4rub h PRO 95 Cb 0.73 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.81 4rub h PRO 95 CO 0.70 0.08 0.00 0.00 -0.21 0.00 0.00 178.00 178.57 4rub n GLN 96 N -4.48 2.12 -1.95 1.05 -0.00 -1.26 -4.59 117.38 108.27 4rub n GLN 96 Ca 0.03 -1.69 -0.29 0.00 -0.00 0.00 0.00 57.00 55.05 4rub n GLN 96 Cb 0.26 -1.44 0.11 0.00 -0.00 0.00 0.00 30.24 29.17 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 -1.59 2.63 -0.04 2.61 0.00 -0.28 -4.70 121.76 120.40 4rub s ALA 97 Ca 0.35 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.52 4rub s ALA 97 Cb 0.19 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 4rub s ALA 97 CO 0.28 -1.79 -0.09 -1.58 0.00 0.00 0.00 175.76 172.57 4rub s TRP 98 N -3.60 2.85 -0.01 0.00 0.51 0.66 -3.11 118.94 116.24 4rub s TRP 98 Ca 0.64 -0.05 0.04 0.00 -2.12 0.00 0.00 56.10 54.62 4rub s TRP 98 Cb -0.09 -1.65 -0.01 0.00 -0.81 0.00 0.00 33.47 30.90 4rub s TRP 98 CO 0.49 0.30 -0.14 0.42 -0.51 0.00 0.00 176.95 177.52 4rub s ILE 99 N -0.85 1.11 0.10 2.03 1.01 0.19 -1.89 121.20 122.90 4rub s ILE 99 Ca 0.14 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.21 4rub s ILE 99 Cb -0.11 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 4rub s ILE 99 CO 0.03 0.31 -0.09 -0.60 0.00 0.00 0.00 174.94 174.59 4rub s ARG 100 N -0.33 0.83 -0.09 2.79 3.52 -0.24 -0.58 118.95 124.84 4rub s ARG 100 Ca 0.05 -1.17 0.04 0.00 -0.13 0.00 0.00 55.73 54.52 4rub s ARG 100 Cb -0.05 -0.46 -0.01 0.00 -1.56 0.00 0.00 34.95 32.86 4rub s ARG 100 CO -0.01 0.06 -0.21 0.42 -0.81 0.00 0.00 175.30 174.75 4rub s ILE 101 N -2.60 2.32 0.19 4.11 1.01 -0.57 -2.44 121.20 123.22 4rub s ILE 101 Ca 0.06 -0.94 0.08 0.00 0.00 0.00 0.00 60.65 59.85 4rub s ILE 101 Cb -0.02 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 4rub s ILE 101 CO -0.01 0.56 -0.16 0.27 0.00 0.00 0.00 174.94 175.60 4rub s ILE 102 N 0.18 1.80 -0.26 2.92 -4.36 -0.60 -1.94 121.20 118.94 4rub s ILE 102 Ca -0.13 -2.12 0.03 0.00 -0.26 0.00 0.00 60.65 58.18 4rub s ILE 102 Cb -0.16 -1.98 0.06 0.00 1.25 0.00 0.00 42.46 41.63 4rub s ILE 102 CO 0.07 -0.49 -0.09 -0.83 0.24 0.00 0.00 174.94 173.84 4rub s GLY 103 N -3.09 1.60 -0.05 6.27 0.00 -0.22 -1.37 107.32 110.46 4rub s GLY 103 Ca 0.20 -1.73 -0.28 0.00 0.00 0.00 0.00 44.72 42.91 4rub s GLY 103 CO 0.07 0.70 0.93 -1.36 0.00 0.00 0.00 173.10 173.43 4rub s PHE 104 N 1.15 3.59 -0.92 1.90 0.08 -0.41 -0.43 117.98 122.93 4rub s PHE 104 Ca -0.07 1.56 -0.16 0.00 0.12 0.00 0.00 56.93 58.39 4rub s PHE 104 Cb -0.20 -3.08 0.18 0.00 -0.57 0.00 0.00 43.02 39.36 4rub s PHE 104 CO -0.06 -0.06 0.99 0.34 -0.10 0.00 0.00 175.22 176.33 4rub s ASP 105 N 1.01 6.78 0.00 1.36 -1.08 -0.84 -1.87 116.67 122.03 4rub s ASP 105 Ca 0.48 -2.53 0.00 0.00 -0.52 0.00 0.00 52.55 49.98 4rub s ASP 105 Cb -0.19 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 4rub s ASP 105 CO 0.23 -0.76 0.93 -0.46 0.52 0.00 0.00 175.17 175.63 4rub n ASN 106 N 5.04 0.00 0.08 -0.34 0.23 -1.26 -0.77 115.26 118.24 4rub n ASN 106 Ca 0.21 0.44 -0.23 0.00 -0.53 0.00 0.00 54.58 54.46 4rub n ASN 106 Cb 0.47 -0.44 -0.15 0.00 -2.08 0.00 0.00 39.78 37.58 4rub n ASN 106 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 4rub h VAL 107 N 0.00 1.11 0.00 3.53 2.07 -1.96 -3.35 116.25 117.66 4rub h VAL 107 Ca 0.00 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 64.98 4rub h VAL 107 Cb 0.11 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 4rub h VAL 107 CO 0.00 0.80 -1.29 0.54 0.02 0.00 0.00 177.57 177.64 4rub n ARG 108 N -3.75 0.43 -3.49 1.57 1.74 -0.97 -5.01 116.66 107.17 4rub n ARG 108 Ca -0.21 -0.03 -0.18 0.00 -0.77 0.00 0.00 57.85 56.65 4rub n ARG 108 Cb 1.02 -1.61 0.08 0.00 -1.02 0.00 0.00 32.46 30.94 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 -2.14 -6.41 -4.32 5.56 6.02 0.05 -5.02 117.38 111.12 4rub n GLN 109 Ca 0.00 0.81 -0.18 0.00 -0.01 0.00 0.00 57.00 57.62 4rub n GLN 109 Cb 0.49 -5.75 -0.10 0.00 1.02 0.00 0.00 30.24 25.89 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 1.62 -0.34 5.09 -7.23 -1.23 -4.98 120.40 109.93 4rub s VAL 110 Ca 0.04 -2.15 -0.21 0.00 -1.81 0.00 0.00 61.98 57.85 4rub s VAL 110 Cb -0.02 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.95 4rub s VAL 110 CO 0.74 -0.60 0.69 -1.10 -0.31 0.00 0.00 175.10 174.52 4rub s GLN 111 N -3.57 3.80 0.11 4.82 -0.21 -1.26 -1.98 119.66 121.37 4rub s GLN 111 Ca 0.20 0.25 0.25 0.00 0.02 0.00 0.00 55.36 56.09 4rub s GLN 111 Cb -0.01 -3.77 0.53 0.00 1.00 0.00 0.00 33.01 30.76 4rub s GLN 111 CO 0.05 -0.70 1.47 0.00 -2.12 0.00 0.00 175.29 173.99 4rub s ILE 113 N -3.12 0.00 -0.29 0.00 2.07 -1.20 -4.93 121.20 113.73 4rub s ILE 113 Ca 0.08 0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 59.13 4rub s ILE 113 Cb 0.14 -1.00 0.17 0.00 0.13 0.00 0.00 42.46 41.90 4rub s ILE 113 CO 0.68 0.00 1.14 -0.55 -1.91 0.00 0.00 174.94 174.30 4rub s SER 114 N -2.56 -0.30 0.01 4.50 0.15 -1.26 -1.06 113.70 113.18 4rub s SER 114 Ca -0.00 0.51 -0.22 0.00 0.70 0.00 0.00 55.95 56.94 4rub s SER 114 Cb -0.01 0.90 0.05 0.00 -1.71 0.00 0.00 66.02 65.25 4rub s SER 114 CO -0.10 -0.08 0.49 0.72 1.20 0.00 0.00 173.24 175.46 4rub s PHE 115 N 0.82 -0.39 0.03 3.44 -0.71 -0.82 -4.58 117.98 115.76 4rub s PHE 115 Ca -0.04 0.54 -0.25 0.00 -1.04 0.00 0.00 56.93 56.15 4rub s PHE 115 Cb -0.04 0.28 -0.05 0.00 -1.21 0.00 0.00 43.02 42.00 4rub s PHE 115 CO -0.12 -0.56 0.76 -1.50 -1.34 0.00 0.00 175.22 172.46 4rub s ILE 116 N -1.86 4.79 -0.20 -4.49 2.07 -1.26 -1.52 121.20 118.74 4rub s ILE 116 Ca -0.09 1.62 0.22 0.00 -1.41 0.00 0.00 60.65 60.99 4rub s ILE 116 Cb -0.02 -4.11 -0.18 0.00 0.13 0.00 0.00 42.46 38.28 4rub s ILE 116 CO 0.03 0.34 0.76 0.00 -1.91 0.00 0.00 174.94 174.16 4rub n ALA 117 N 2.99 2.82 -3.41 1.50 0.00 0.25 -4.91 120.51 119.75 4rub n ALA 117 Ca -0.02 -0.40 0.01 0.00 0.00 0.00 0.00 53.44 53.03 4rub n ALA 117 Cb 0.50 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 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 -3.41 -0.60 0.05 0.00 6.14 -0.88 -4.96 117.35 113.68 4rub s TYR 118 Ca -0.03 1.06 -0.00 0.00 0.64 0.00 0.00 57.07 58.73 4rub s TYR 118 Cb 0.12 0.36 -0.04 0.00 0.42 0.00 0.00 41.96 42.82 4rub s TYR 118 CO 0.85 -0.30 0.18 0.15 0.64 0.00 0.00 175.55 177.07 4rub s LYS 119 N 2.28 3.33 1.00 4.97 1.02 -1.26 0.54 119.74 131.61 4rub s LYS 119 Ca -0.03 -0.46 -0.15 0.00 0.02 0.00 0.00 55.97 55.35 4rub s LYS 119 Cb -0.05 -2.99 0.19 0.00 -0.52 0.00 0.00 37.83 34.46 4rub s LYS 119 CO -0.17 0.62 1.19 -1.25 -0.92 0.00 0.00 175.35 174.82 4rub s PRO 120 N -2.33 0.43 -0.16 -1.68 0.04 -1.18 -4.93 135.00 125.18 4rub s PRO 120 Ca 0.32 -0.04 -0.36 0.00 0.04 0.00 0.00 61.00 60.96 4rub s PRO 120 Cb -0.13 -1.79 -0.13 0.00 0.04 0.00 0.00 34.50 32.50 4rub s PRO 120 CO 0.24 -2.62 1.86 0.39 0.04 0.00 0.00 177.00 176.92 4rub n GLU 121 N -3.99 1.82 -1.97 4.56 1.02 -1.26 -3.54 120.64 117.28 4rub n GLU 121 Ca 0.11 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 4rub n GLU 121 Cb 0.59 -2.48 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 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 4.46 0.58 0.00 0.62 0.00 -1.26 -5.17 105.19 104.42 4rub n GLY 122 Ca 0.25 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.78 4rub n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60