#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 0.17 -0.35 2.12 1.11 -1.26 -5.10 119.66 116.35 4rub s GLN 2 Ca 0.00 -0.05 -0.28 0.00 0.01 0.00 0.00 55.36 55.04 4rub s GLN 2 Cb 0.00 -0.20 -0.02 0.00 -1.01 0.00 0.00 33.01 31.78 4rub s GLN 2 CO 0.00 0.02 1.83 0.08 0.01 0.00 0.00 175.29 177.23 4rub s VAL 3 N 0.10 3.44 0.02 1.09 1.01 -1.26 -4.92 120.40 119.88 4rub s VAL 3 Ca -0.01 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 4rub s VAL 3 Cb -0.03 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 4rub s VAL 3 CO -0.00 -0.43 1.99 1.87 0.00 0.00 0.00 175.10 178.52 4rub n TRP 4 N 10.67 2.49 -1.86 5.22 -0.00 -1.26 -4.86 117.44 127.85 4rub n TRP 4 Ca 0.23 -0.36 -0.40 0.00 -0.00 0.00 0.00 57.50 56.97 4rub n TRP 4 Cb 0.47 -2.80 0.01 0.00 -0.00 0.00 0.00 31.31 28.99 4rub n TRP 4 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 4rub s PRO 5 N 4.56 3.86 0.00 5.87 0.04 -1.26 -4.93 135.00 143.13 4rub s PRO 5 Ca 0.90 2.40 0.26 0.00 0.04 0.00 0.00 61.00 64.60 4rub s PRO 5 Cb -0.44 -2.76 0.65 0.00 0.04 0.00 0.00 34.50 31.99 4rub s PRO 5 CO 0.42 -0.67 1.50 -0.35 0.04 0.00 0.00 177.00 177.94 4rub n PRO 6 N 0.05 0.36 -0.04 0.56 -0.04 -1.26 -4.77 135.00 129.87 4rub n PRO 6 Ca 0.04 -0.21 -0.07 0.00 -0.04 0.00 0.00 63.50 63.22 4rub n PRO 6 Cb 0.41 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.14 0.39 -2.87 0.52 -5.35 -1.26 -4.80 119.36 104.84 4rub n ILE 7 Ca 0.09 -0.11 -0.31 0.00 -0.27 0.00 0.00 62.75 62.14 4rub n ILE 7 Cb 0.34 -1.38 -0.02 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 -3.16 5.33 -2.68 7.28 3.02 -1.26 -4.81 115.26 118.97 4rub n ASN 8 Ca -0.13 -3.68 -0.22 0.00 -0.03 0.00 0.00 54.58 50.52 4rub n ASN 8 Cb 0.61 -0.75 -0.00 0.00 -0.61 0.00 0.00 39.78 39.02 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 -0.12 2.57 -2.18 3.52 4.76 -1.26 -5.08 118.16 120.36 4rub n LYS 9 Ca 0.35 -4.15 -0.42 0.00 -2.87 0.00 0.00 58.31 51.23 4rub n LYS 9 Cb 0.35 -1.94 -0.03 0.00 -1.84 0.00 0.00 35.03 31.57 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 -3.31 4.33 0.50 1.97 -0.14 -1.26 -5.00 119.74 116.83 4rub s LYS 10 Ca 0.42 2.07 0.08 0.00 -1.36 0.00 0.00 55.97 57.18 4rub s LYS 10 Cb 0.39 -3.24 0.03 0.00 -1.68 0.00 0.00 37.83 33.33 4rub s LYS 10 CO -0.11 -0.40 0.55 0.15 -0.76 0.00 0.00 175.35 174.78 4rub s LYS 11 N 0.90 2.43 -0.31 1.68 -0.14 -1.26 -5.06 119.74 117.99 4rub s LYS 11 Ca 0.63 -1.65 0.16 0.00 -1.36 0.00 0.00 55.97 53.75 4rub s LYS 11 Cb -0.37 -2.46 0.47 0.00 -1.68 0.00 0.00 37.83 33.80 4rub s LYS 11 CO 0.32 -0.53 1.08 0.66 -0.76 0.00 0.00 175.35 176.11 4rub n TYR 12 N -1.88 1.86 -4.89 3.18 4.02 -1.26 -5.10 117.16 113.09 4rub n TYR 12 Ca 0.07 -2.49 0.00 0.00 -0.01 0.00 0.00 57.90 55.47 4rub n TYR 12 Cb 0.62 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.67 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 -0.45 0.00 -1.64 -0.72 -0.58 -1.26 -4.56 120.64 111.44 4rub n GLU 13 Ca 0.20 0.00 -0.48 0.00 -0.42 0.00 0.00 57.16 56.46 4rub n GLU 13 Cb 0.82 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.64 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 0.26 0.00 2.62 -1.04 -1.26 -2.23 114.28 112.63 4rub n THR 14 Ca 0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 4rub n THR 14 Cb 0.00 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 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 2.78 0.00 0.00 -4.42 4.77 -1.26 -4.48 117.00 114.38 4rub n LEU 15 Ca 0.16 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.17 4rub n LEU 15 Cb 0.26 -0.02 0.16 0.00 -2.33 0.00 0.00 43.42 41.49 4rub n LEU 15 CO 0.63 0.00 0.35 -1.54 -1.33 0.00 0.00 177.39 175.50 4rub n SER 16 N 0.00 0.00 -0.45 -1.43 3.41 -0.95 -2.41 113.62 111.79 4rub n SER 16 Ca 0.00 -0.41 0.07 0.00 -0.26 0.00 0.00 58.87 58.27 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 -0.79 0.00 -3.79 7.33 4.02 -1.26 -4.84 117.16 117.83 4rub n TYR 17 Ca 0.04 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.73 4rub n TYR 17 Cb 0.02 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.32 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 -1.43 4.14 0.60 7.72 1.43 -1.01 -5.09 118.68 125.04 4rub s LEU 18 Ca 0.14 -0.06 -0.19 0.00 -1.03 0.00 0.00 54.13 52.99 4rub s LEU 18 Cb 0.11 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 4rub s LEU 18 CO 0.24 -0.21 1.24 -2.84 0.23 0.00 0.00 176.35 175.01 4rub s PRO 19 N -4.04 2.89 -0.49 1.29 0.02 -1.26 -4.82 135.00 128.58 4rub s PRO 19 Ca 0.38 1.92 -0.45 0.00 0.02 0.00 0.00 61.00 62.87 4rub s PRO 19 Cb -0.09 -1.94 -0.19 0.00 0.02 0.00 0.00 34.50 32.30 4rub s PRO 19 CO 0.29 -1.30 1.69 -0.25 -0.33 0.00 0.00 177.00 177.11 4rub n ASP 20 N -1.61 1.06 -4.72 2.53 9.92 -1.26 -4.79 116.55 117.68 4rub n ASP 20 Ca 0.14 1.03 -0.42 0.00 -0.53 0.00 0.00 54.79 55.01 4rub n ASP 20 Cb 0.49 -0.86 -0.03 0.00 -0.64 0.00 0.00 41.12 40.08 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 3.68 4.37 0.75 0.64 1.43 -1.26 -4.99 118.68 123.30 4rub s LEU 21 Ca 1.06 2.66 -0.11 0.00 -1.03 0.00 0.00 54.13 56.71 4rub s LEU 21 Cb -1.46 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 41.20 4rub s LEU 21 CO 0.76 -0.83 1.08 -0.94 0.23 0.00 0.00 176.35 176.64 4rub s SER 22 N 1.04 4.82 0.43 2.29 1.04 -1.26 -4.76 113.70 117.30 4rub s SER 22 Ca 0.69 1.59 0.11 0.00 0.48 0.00 0.00 55.95 58.83 4rub s SER 22 Cb -0.44 -2.38 0.94 0.00 0.10 0.00 0.00 66.02 64.23 4rub s SER 22 CO 0.33 -1.80 2.00 -0.61 0.98 0.00 0.00 173.24 174.14 4rub h GLN 23 N -0.97 0.20 0.40 4.02 4.15 -1.98 0.42 115.11 121.35 4rub h GLN 23 Ca -0.45 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 58.92 4rub h GLN 23 Cb 1.23 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.89 4rub h GLN 23 CO 0.56 0.26 -0.19 1.49 -1.93 0.00 0.00 178.83 179.02 4rub h GLU 24 N 0.19 -0.52 -0.63 1.69 4.57 -1.98 0.20 114.58 118.10 4rub h GLU 24 Ca 0.05 0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.36 4rub h GLU 24 Cb 0.21 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 28.85 4rub h GLU 24 CO 0.01 -0.32 0.25 1.96 -1.18 0.00 0.00 179.01 179.73 4rub h GLN 25 N -0.57 0.43 -0.35 1.92 4.20 -1.76 -0.21 115.11 118.77 4rub h GLN 25 Ca -0.05 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.49 4rub h GLN 25 Cb 0.43 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 4rub h GLN 25 CO 0.09 0.29 -0.35 1.25 -0.67 0.00 0.00 178.83 179.44 4rub h LEU 26 N 0.45 0.83 -1.70 1.46 6.46 0.04 -2.80 115.31 120.04 4rub h LEU 26 Ca 0.32 -0.36 -0.03 0.00 -0.12 0.00 0.00 57.88 57.69 4rub h LEU 26 Cb 0.38 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 4rub h LEU 26 CO -0.30 1.09 -0.12 0.25 -0.62 0.00 0.00 178.44 178.75 4rub h LEU 27 N 0.66 0.04 -0.87 2.25 6.46 0.11 -1.08 115.31 122.88 4rub h LEU 27 Ca 0.06 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 4rub h LEU 27 Cb 0.90 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.81 4rub h LEU 27 CO 0.08 0.16 -0.13 0.28 -0.62 0.00 0.00 178.44 178.21 4rub h SER 28 N 0.04 0.00 0.28 1.25 0.02 -0.99 -2.18 113.55 111.97 4rub h SER 28 Ca 0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 4rub h SER 28 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 4rub h SER 28 CO 0.02 0.13 -0.13 -0.33 -1.14 0.00 0.00 176.83 175.37 4rub h GLU 29 N 0.00 -0.36 -0.37 3.45 3.07 -1.17 -1.70 114.58 117.50 4rub h GLU 29 Ca -0.00 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.92 4rub h GLU 29 Cb 0.79 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.76 4rub h GLU 29 CO 0.02 -0.10 0.25 0.28 -1.40 0.00 0.00 179.01 178.05 4rub h VAL 30 N -1.03 0.99 -0.48 3.13 2.07 -1.51 -0.93 116.25 118.50 4rub h VAL 30 Ca -0.04 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 4rub h VAL 30 Cb 0.42 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 4rub h VAL 30 CO 0.06 0.06 -0.01 -0.33 0.02 0.00 0.00 177.57 177.37 4rub h GLU 31 N 0.33 0.85 -0.17 1.57 4.39 -1.40 -1.64 114.58 118.51 4rub h GLU 31 Ca 0.15 -0.28 0.03 0.00 0.34 0.00 0.00 59.36 59.61 4rub h GLU 31 Cb 0.20 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 4rub h GLU 31 CO -0.03 0.90 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.77 4rub h TYR 32 N 0.70 -0.06 -0.07 4.33 3.20 -0.23 0.28 116.97 125.13 4rub h TYR 32 Ca 0.13 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.04 4rub h TYR 32 Cb 0.52 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.80 4rub h TYR 32 CO 0.04 -0.05 -0.46 1.25 -1.64 0.00 0.00 178.16 177.29 4rub h LEU 33 N 0.02 -1.45 -0.03 2.82 5.85 -1.28 -1.65 115.31 119.59 4rub h LEU 33 Ca 0.08 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.99 4rub h LEU 33 Cb 0.11 0.56 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 4rub h LEU 33 CO -0.16 -0.43 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.33 4rub h LEU 34 N -0.53 -0.35 -1.40 2.25 3.38 -0.86 -0.50 115.31 117.30 4rub h LEU 34 Ca 0.02 0.06 0.43 0.00 0.09 0.00 0.00 57.88 58.48 4rub h LEU 34 Cb 0.59 0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.37 4rub h LEU 34 CO -0.35 -0.17 0.84 0.50 0.09 0.00 0.00 178.44 179.36 4rub h LYS 35 N -0.19 0.09 0.00 1.13 3.11 0.07 -0.07 116.57 120.72 4rub h LYS 35 Ca 0.05 -0.01 -0.18 0.00 -2.81 0.00 0.00 60.65 57.70 4rub h LYS 35 Cb 0.26 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.44 4rub h LYS 35 CO -0.14 0.06 -1.07 -0.91 -2.81 0.00 0.00 179.45 174.58 4rub h ASN 36 N 0.09 0.00 0.00 4.20 4.21 -0.17 -3.48 115.58 120.44 4rub h ASN 36 Ca 0.81 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.32 4rub h ASN 36 Cb 2.54 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.74 4rub h ASN 36 CO -0.42 0.76 0.00 0.61 -1.29 0.00 0.00 177.43 177.09 4rub n GLY 37 N 1.36 1.21 3.77 2.83 0.00 -0.04 -5.09 105.19 109.23 4rub n GLY 37 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 3.44 -0.36 1.61 0.51 -1.10 -4.89 118.94 116.15 4rub s TRP 38 Ca 0.00 1.69 -0.23 0.00 -2.12 0.00 0.00 56.10 55.44 4rub s TRP 38 Cb 0.00 -3.13 0.01 0.00 -0.81 0.00 0.00 33.47 29.54 4rub s TRP 38 CO 0.00 -0.44 0.79 0.08 -0.51 0.00 0.00 176.95 176.87 4rub s VAL 39 N -1.50 4.73 0.40 4.03 1.01 -0.78 -4.47 120.40 123.82 4rub s VAL 39 Ca 0.52 0.94 -0.26 0.00 0.00 0.00 0.00 61.98 63.18 4rub s VAL 39 Cb -0.24 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 31.84 4rub s VAL 39 CO 0.31 -0.41 1.29 -2.84 0.00 0.00 0.00 175.10 173.45 4rub s PRO 40 N 3.10 3.97 0.02 2.72 0.02 -1.26 -1.31 135.00 142.25 4rub s PRO 40 Ca 0.32 2.13 -0.04 0.00 0.02 0.00 0.00 61.00 63.43 4rub s PRO 40 Cb -0.13 -2.75 -0.01 0.00 0.02 0.00 0.00 34.50 31.63 4rub s PRO 40 CO 0.16 -0.48 0.05 0.00 -0.33 0.00 0.00 177.00 176.41 4rub s LEU 42 N -1.53 2.94 -0.06 0.00 1.02 -1.26 -1.46 118.68 118.33 4rub s LEU 42 Ca -0.14 -0.23 -0.05 0.00 0.02 0.00 0.00 54.13 53.73 4rub s LEU 42 Cb -0.08 -1.69 0.02 0.00 0.02 0.00 0.00 46.19 44.46 4rub s LEU 42 CO -0.00 0.29 0.15 -1.61 0.02 0.00 0.00 176.35 175.19 4rub s GLU 43 N -1.31 0.17 0.15 1.70 2.02 -1.07 0.05 118.70 120.40 4rub s GLU 43 Ca 0.15 0.23 0.02 0.00 0.02 0.00 0.00 54.97 55.39 4rub s GLU 43 Cb -0.11 0.06 -0.04 0.00 0.10 0.00 0.00 34.13 34.14 4rub s GLU 43 CO 0.06 -0.03 -0.03 -0.59 0.02 0.00 0.00 175.26 174.68 4rub s PHE 44 N 0.19 1.13 -0.18 1.61 -0.71 -0.21 -1.01 117.98 118.80 4rub s PHE 44 Ca -0.01 -0.95 -0.15 0.00 -1.04 0.00 0.00 56.93 54.78 4rub s PHE 44 Cb -0.02 -0.63 0.05 0.00 -1.21 0.00 0.00 43.02 41.20 4rub s PHE 44 CO -0.00 -0.15 0.47 -2.00 -1.34 0.00 0.00 175.22 172.19 4rub s GLU 45 N -3.87 0.53 0.00 1.99 2.56 -0.91 -1.27 118.70 117.73 4rub s GLU 45 Ca 0.19 0.69 0.02 0.00 0.00 0.00 0.00 54.97 55.87 4rub s GLU 45 Cb 0.05 0.22 -0.01 0.00 2.00 0.00 0.00 34.13 36.39 4rub s GLU 45 CO 0.01 -0.08 0.14 0.25 -0.56 0.00 0.00 175.26 175.01 4rub n THR 46 N 3.09 0.00 0.00 -1.70 -2.24 -1.26 -0.37 114.28 111.80 4rub n THR 46 Ca -0.15 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 4rub n THR 46 Cb 0.57 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 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 -0.87 2.99 -3.65 -0.78 2.13 -1.26 -4.87 120.64 114.32 4rub n GLU 47 Ca 0.00 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.55 4rub n GLU 47 Cb 0.03 -0.88 -0.11 0.00 0.27 0.00 0.00 31.44 30.74 4rub n GLU 47 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 4rub s HIS 48 N -1.75 2.35 0.58 4.31 3.76 -1.26 -4.93 115.29 118.35 4rub s HIS 48 Ca 0.00 -2.83 0.28 0.00 -0.15 0.00 0.00 55.06 52.36 4rub s HIS 48 Cb 0.00 -1.84 1.56 0.00 1.11 0.00 0.00 32.58 33.41 4rub s HIS 48 CO 0.00 -0.69 2.01 0.78 -0.85 0.00 0.00 174.74 175.99 4rub h GLY 49 N 5.56 0.00 -4.51 -2.22 0.00 -1.92 -3.43 103.07 96.55 4rub h GLY 49 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.29 4rub h GLY 49 CO 0.55 0.00 -0.72 -1.36 0.00 0.00 0.00 176.54 175.01 4rub s PHE 50 N -4.66 0.60 0.47 5.60 0.08 -1.26 -5.11 117.98 113.69 4rub s PHE 50 Ca -0.04 -0.59 -0.21 0.00 0.12 0.00 0.00 56.93 56.20 4rub s PHE 50 Cb 0.16 -0.37 -0.11 0.00 -0.57 0.00 0.00 43.02 42.13 4rub s PHE 50 CO 0.56 -0.13 0.67 1.33 -0.10 0.00 0.00 175.22 177.55 4rub n VAL 51 N 1.23 2.15 -4.18 -0.44 0.24 -1.26 -4.80 118.33 111.26 4rub n VAL 51 Ca -0.21 -0.50 -0.16 0.00 -2.04 0.00 0.00 64.34 61.42 4rub n VAL 51 Cb 0.56 -0.75 -0.07 0.00 -1.47 0.00 0.00 33.84 32.12 4rub n VAL 51 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 4rub s TYR 52 N -1.49 1.36 -0.43 6.34 1.13 0.21 -4.95 117.35 119.52 4rub s TYR 52 Ca 0.65 -1.45 0.07 0.00 -1.41 0.00 0.00 57.07 54.93 4rub s TYR 52 Cb -0.54 -0.40 0.23 0.00 -1.10 0.00 0.00 41.96 40.14 4rub s TYR 52 CO 0.56 -0.96 0.61 0.54 -2.51 0.00 0.00 175.55 173.79 4rub n ARG 53 N -0.55 0.64 -0.08 -3.49 1.74 -1.26 0.19 116.66 113.85 4rub n ARG 53 Ca 0.04 -2.73 -0.09 0.00 -0.77 0.00 0.00 57.85 54.29 4rub n ARG 53 Cb 0.62 -1.37 -0.04 0.00 -1.02 0.00 0.00 32.46 30.65 4rub n ARG 53 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 4rub n GLU 54 N 1.80 0.48 0.23 5.56 0.00 -1.26 -4.45 120.64 123.00 4rub n GLU 54 Ca 0.19 0.53 0.10 0.00 0.00 0.00 0.00 57.16 57.98 4rub n GLU 54 Cb 0.55 -1.70 0.51 0.00 0.00 0.00 0.00 31.44 30.81 4rub n GLU 54 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 4rub h ASN 55 N -1.00 0.00 -4.80 4.31 -0.26 -2.00 -3.47 115.58 108.37 4rub h ASN 55 Ca -0.10 0.00 0.08 0.00 -0.56 0.00 0.00 56.30 55.72 4rub h ASN 55 Cb 0.74 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 37.86 4rub h ASN 55 CO -0.06 0.21 0.41 0.21 -1.06 0.00 0.00 177.43 177.14 4rub s ASN 56 N -6.18 -0.40 -0.04 5.81 2.47 -1.26 -5.07 114.94 110.27 4rub s ASN 56 Ca -0.00 -0.05 0.05 0.00 0.42 0.00 0.00 52.86 53.28 4rub s ASN 56 Cb 0.11 0.46 0.08 0.00 -1.45 0.00 0.00 41.25 40.45 4rub s ASN 56 CO 0.63 -0.75 0.94 0.29 -3.72 0.00 0.00 177.10 174.48 4rub n LYS 57 N -0.30 1.03 -0.80 0.43 5.02 -1.26 -4.77 118.16 117.50 4rub n LYS 57 Ca -0.11 -1.46 -0.29 0.00 -2.02 0.00 0.00 58.31 54.44 4rub n LYS 57 Cb 0.62 -0.90 0.21 0.00 -0.02 0.00 0.00 35.03 34.95 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 -1.32 1.90 0.29 4.39 1.04 -1.26 -4.87 113.70 113.86 4rub s SER 58 Ca 0.09 1.51 -0.30 0.00 0.48 0.00 0.00 55.95 57.73 4rub s SER 58 Cb 0.08 -2.21 -0.11 0.00 0.10 0.00 0.00 66.02 63.88 4rub s SER 58 CO 0.01 -3.63 1.59 -2.84 0.98 0.00 0.00 173.24 169.35 4rub s PRO 59 N -4.67 4.13 0.00 4.02 0.02 -1.26 -2.50 135.00 134.74 4rub s PRO 59 Ca 0.67 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.25 4rub s PRO 59 Cb -0.22 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.27 4rub s PRO 59 CO 0.61 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 177.06 4rub n GLY 60 N 2.24 1.79 3.66 0.52 0.00 -1.26 -5.02 105.19 107.12 4rub n GLY 60 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.40 3.35 -0.05 1.61 6.14 -1.04 -5.02 117.35 118.94 4rub s TYR 61 Ca 0.00 0.57 -0.04 0.00 0.64 0.00 0.00 57.07 58.25 4rub s TYR 61 Cb 0.00 -2.53 0.02 0.00 0.42 0.00 0.00 41.96 39.87 4rub s TYR 61 CO 0.00 -0.05 0.12 0.71 0.64 0.00 0.00 175.55 176.97 4rub s TYR 62 N 1.45 -0.13 0.31 4.97 2.02 -1.26 -4.68 117.35 120.03 4rub s TYR 62 Ca 0.18 0.34 -0.04 0.00 -0.37 0.00 0.00 57.07 57.17 4rub s TYR 62 Cb -0.15 0.02 -0.05 0.00 -0.40 0.00 0.00 41.96 41.38 4rub s TYR 62 CO 0.08 -0.08 0.58 -0.51 -1.57 0.00 0.00 175.55 174.05 4rub s ASP 63 N 0.25 6.41 0.00 2.29 1.01 0.51 -4.55 116.67 122.60 4rub s ASP 63 Ca -0.02 0.71 0.00 0.00 0.71 0.00 0.00 52.55 53.95 4rub s ASP 63 Cb -0.03 -2.14 0.00 0.00 1.01 0.00 0.00 42.92 41.76 4rub s ASP 63 CO -0.01 -0.24 0.00 0.61 0.21 0.00 0.00 175.17 175.74 4rub n GLY 64 N -1.16 0.83 0.11 0.21 0.00 -1.26 0.67 105.19 104.60 4rub n GLY 64 Ca -0.02 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 2.67 0.15 -6.80 1.61 3.08 -1.94 -3.38 114.38 109.77 4rub h ARG 65 Ca 0.00 -0.25 -0.52 0.00 0.07 0.00 0.00 59.98 59.27 4rub h ARG 65 Cb 0.00 0.09 0.05 0.00 0.08 0.00 0.00 29.97 30.20 4rub h ARG 65 CO 0.00 1.12 0.64 0.71 -1.07 0.00 0.00 179.97 181.37 4rub s TYR 66 N -2.41 3.16 0.46 3.04 2.02 -1.26 -5.06 117.35 117.30 4rub s TYR 66 Ca -0.22 1.34 0.03 0.00 -0.37 0.00 0.00 57.07 57.85 4rub s TYR 66 Cb 0.04 -3.64 -0.02 0.00 -0.40 0.00 0.00 41.96 37.94 4rub s TYR 66 CO 0.71 -1.84 0.06 -1.58 -1.57 0.00 0.00 175.55 171.33 4rub s TRP 67 N -0.66 1.86 -0.05 2.71 0.52 -1.26 -5.10 118.94 116.97 4rub s TRP 67 Ca 0.52 -1.08 -0.16 0.00 0.02 0.00 0.00 56.10 55.40 4rub s TRP 67 Cb -0.38 -1.43 -0.05 0.00 -1.15 0.00 0.00 33.47 30.46 4rub s TRP 67 CO 0.46 0.02 0.42 0.99 0.02 0.00 0.00 176.95 178.86 4rub s THR 68 N -3.01 5.10 0.16 2.01 2.01 -0.40 -4.90 115.64 116.61 4rub s THR 68 Ca 0.15 0.85 -0.31 0.00 0.31 0.00 0.00 61.69 62.69 4rub s THR 68 Cb 0.02 -3.74 -0.08 0.00 0.01 0.00 0.00 72.50 68.72 4rub s THR 68 CO 0.09 0.49 1.36 -0.32 -0.69 0.00 0.00 174.62 175.54 4rub s MET 69 N -0.45 4.35 -0.49 4.92 1.75 -1.26 -1.04 119.30 127.08 4rub s MET 69 Ca 0.24 2.08 -0.21 0.00 -1.25 0.00 0.00 55.69 56.54 4rub s MET 69 Cb -0.16 -3.22 0.04 0.00 2.84 0.00 0.00 34.83 34.33 4rub s MET 69 CO 0.12 -0.36 0.73 -0.46 -0.65 0.00 0.00 175.02 174.40 4rub s TRP 70 N 0.63 2.98 0.00 4.11 -0.11 0.11 -4.88 118.94 121.78 4rub s TRP 70 Ca 0.61 -0.16 0.00 0.00 1.22 0.00 0.00 56.10 57.77 4rub s TRP 70 Cb -0.37 -3.63 0.00 0.00 -1.50 0.00 0.00 33.47 27.97 4rub s TRP 70 CO 0.34 -1.06 0.00 1.63 -4.62 0.00 0.00 176.95 173.24 4rub n LYS 71 N 6.60 0.00 -4.26 5.86 5.02 -1.26 -4.42 118.16 125.70 4rub n LYS 71 Ca -0.02 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.13 4rub n LYS 71 Cb 0.47 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.38 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 2.32 0.14 -0.35 1.02 -1.26 -5.07 118.68 115.48 4rub s LEU 72 Ca 0.00 -1.11 -0.31 0.00 0.02 0.00 0.00 54.13 52.72 4rub s LEU 72 Cb 0.00 -0.21 -0.10 0.00 0.02 0.00 0.00 46.19 45.90 4rub s LEU 72 CO 0.00 -0.46 1.62 -2.16 0.02 0.00 0.00 176.35 175.36 4rub s PRO 73 N -3.84 4.20 -1.30 1.29 0.04 -1.26 -4.77 135.00 129.37 4rub s PRO 73 Ca 0.21 2.38 -0.17 0.00 0.04 0.00 0.00 61.00 63.47 4rub s PRO 73 Cb 0.05 -3.29 0.09 0.00 0.04 0.00 0.00 34.50 31.39 4rub s PRO 73 CO 0.03 -0.66 1.74 0.00 0.04 0.00 0.00 177.00 178.14 4rub n MET 74 N 4.48 3.21 -0.68 4.56 0.00 -0.88 -4.96 117.12 122.85 4rub n MET 74 Ca 0.15 -3.33 -0.31 0.00 0.00 0.00 0.00 57.70 54.21 4rub n MET 74 Cb 0.39 -3.38 0.17 0.00 0.00 0.00 0.00 33.22 30.39 4rub n MET 74 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 4rub n PHE 75 N 7.55 0.48 0.00 3.17 3.72 -1.26 -3.38 117.46 127.74 4rub n PHE 75 Ca 0.47 0.36 0.00 0.00 -0.05 0.00 0.00 57.45 58.23 4rub n PHE 75 Cb 0.44 -1.96 0.00 0.00 -0.94 0.00 0.00 39.48 37.02 4rub n PHE 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 4rub n GLY 76 N 0.46 0.00 3.75 1.37 0.00 -1.26 -4.97 105.19 104.55 4rub n GLY 76 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.53 0.00 -3.21 0.00 -2.24 -1.26 -5.00 114.28 101.04 4rub n THR 78 Ca 0.13 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.46 4rub n THR 78 Cb 0.49 1.38 -0.05 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 6.19 0.28 3.42 2.15 -1.26 -4.85 116.67 122.60 4rub s ASP 79 Ca 0.00 -1.55 0.02 0.00 0.43 0.00 0.00 52.55 51.45 4rub s ASP 79 Cb 0.00 -2.26 0.68 0.00 -0.30 0.00 0.00 42.92 41.04 4rub s ASP 79 CO 0.00 -0.98 1.70 0.00 -0.17 0.00 0.00 175.17 175.72 4rub h ALA 80 N 9.03 1.37 -0.64 3.66 0.00 -1.94 0.40 119.26 131.14 4rub h ALA 80 Ca -0.30 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 4rub h ALA 80 Cb 1.09 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 4rub h ALA 80 CO 1.06 -0.32 0.32 1.79 0.00 0.00 0.00 179.25 182.10 4rub h THR 81 N 0.41 1.21 -0.73 0.00 1.35 -1.97 -1.52 112.91 111.67 4rub h THR 81 Ca 0.54 -0.57 0.01 0.00 -0.55 0.00 0.00 66.41 65.84 4rub h THR 81 Cb 0.98 0.38 -0.04 0.00 -1.73 0.00 0.00 68.15 67.75 4rub h THR 81 CO -0.51 0.24 0.48 -0.61 -0.25 0.00 0.00 175.52 174.87 4rub h GLN 82 N 0.90 0.96 -0.36 4.72 4.15 -0.60 -1.10 115.11 123.77 4rub h GLN 82 Ca 0.22 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.51 4rub h GLN 82 Cb 0.08 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 4rub h GLN 82 CO -0.03 0.63 -0.11 -0.39 -1.93 0.00 0.00 178.83 177.00 4rub h VAL 83 N 0.98 1.24 -0.73 2.39 -1.51 -1.01 -2.33 116.25 115.28 4rub h VAL 83 Ca 0.27 -1.08 0.01 0.00 -1.23 0.00 0.00 66.70 64.66 4rub h VAL 83 Cb -0.11 1.09 -0.04 0.00 -2.13 0.00 0.00 31.29 30.10 4rub h VAL 83 CO -0.06 0.36 0.48 0.25 -1.23 0.00 0.00 177.57 177.37 4rub h LEU 84 N 0.57 0.85 -0.44 4.19 6.46 -0.91 -1.80 115.31 124.24 4rub h LEU 84 Ca 0.10 -0.03 0.09 0.00 -0.12 0.00 0.00 57.88 57.92 4rub h LEU 84 Cb 0.53 -0.21 -0.10 0.00 -0.73 0.00 0.00 40.66 40.15 4rub h LEU 84 CO 0.03 0.63 -0.30 0.00 -0.62 0.00 0.00 178.44 178.18 4rub h ALA 85 N 1.26 -0.09 -0.77 1.25 0.00 -0.70 0.58 119.26 120.79 4rub h ALA 85 Ca 0.27 0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.45 4rub h ALA 85 Cb -0.10 0.67 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 4rub h ALA 85 CO -0.06 -0.68 0.32 0.93 0.00 0.00 0.00 179.25 179.77 4rub h GLU 86 N -0.21 0.45 -0.61 0.00 4.39 -0.97 0.33 114.58 117.96 4rub h GLU 86 Ca 0.19 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.93 4rub h GLU 86 Cb 0.52 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.01 4rub h GLU 86 CO -0.55 0.30 0.29 0.28 -1.16 0.00 0.00 179.01 178.17 4rub h VAL 87 N 0.46 0.89 -0.15 3.13 2.07 -0.37 0.55 116.25 122.84 4rub h VAL 87 Ca 0.43 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.76 4rub h VAL 87 Cb 0.65 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 4rub h VAL 87 CO -0.40 0.10 0.09 1.23 0.02 0.00 0.00 177.57 178.61 4rub h GLY 88 N 0.54 0.21 0.70 2.17 0.00 0.19 -2.04 103.07 104.84 4rub h GLY 88 Ca 0.29 -0.08 0.10 0.00 0.00 0.00 0.00 47.33 47.63 4rub h GLY 88 CO -0.22 0.08 0.58 -2.09 0.00 0.00 0.00 176.54 174.89 4rub h GLU 89 N 0.18 0.87 0.02 4.80 4.57 0.10 -2.31 114.58 122.81 4rub h GLU 89 Ca 0.05 -0.05 -0.26 0.00 -1.18 0.00 0.00 59.36 57.92 4rub h GLU 89 Cb 0.01 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.37 4rub h GLU 89 CO -0.01 0.57 -1.35 0.00 -1.18 0.00 0.00 179.01 177.05 4rub h ALA 90 N 1.55 0.48 0.00 2.92 0.00 -0.50 -3.16 119.26 120.55 4rub h ALA 90 Ca 0.42 -1.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.16 4rub h ALA 90 Cb 0.42 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 4rub h ALA 90 CO -0.18 1.34 -0.17 1.57 0.00 0.00 0.00 179.25 181.81 4rub h LYS 91 N 0.01 0.00 -6.36 0.00 2.10 -1.10 0.89 116.57 112.11 4rub h LYS 91 Ca -0.15 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 57.95 4rub h LYS 91 Cb 1.90 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.22 4rub h LYS 91 CO 0.12 0.17 0.71 0.21 -2.00 0.00 0.00 179.45 178.66 4rub s LYS 92 N -4.25 4.35 0.00 0.07 2.36 -0.89 -1.83 119.74 119.54 4rub s LYS 92 Ca -0.03 1.77 0.00 0.00 -2.55 0.00 0.00 55.97 55.16 4rub s LYS 92 Cb 0.14 -3.52 0.00 0.00 -1.05 0.00 0.00 37.83 33.40 4rub s LYS 92 CO 0.63 -0.44 0.00 0.00 1.55 0.00 0.00 175.35 177.09 4rub n ALA 93 N 4.99 0.00 -3.17 3.13 0.00 -1.26 -4.77 120.51 119.44 4rub n ALA 93 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.32 4rub n ALA 93 Cb 0.46 0.00 -0.05 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 1.49 0.18 0.00 4.01 0.31 -4.87 117.16 118.28 4rub n TYR 94 Ca 0.00 -3.85 0.18 0.00 -0.16 0.00 0.00 57.90 54.06 4rub n TYR 94 Cb 0.00 -0.44 0.81 0.00 -0.31 0.00 0.00 39.34 39.40 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 3.41 0.00 -0.15 -0.72 0.11 -1.56 0.27 132.00 133.36 4rub h PRO 95 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 4rub h PRO 95 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 4rub h PRO 95 CO 0.62 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.41 4rub n GLN 96 N -3.82 2.29 -1.66 1.05 -0.00 -1.26 -4.49 117.38 109.49 4rub n GLN 96 Ca 0.03 -1.90 -0.30 0.00 -0.00 0.00 0.00 57.00 54.82 4rub n GLN 96 Cb 0.38 -1.48 0.07 0.00 -0.00 0.00 0.00 30.24 29.21 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 -1.83 2.53 -0.19 2.61 0.00 0.94 -4.69 121.76 121.13 4rub s ALA 97 Ca 0.33 -0.19 -0.07 0.00 0.00 0.00 0.00 51.96 52.03 4rub s ALA 97 Cb 0.21 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 4rub s ALA 97 CO 0.31 -1.44 0.04 -1.58 0.00 0.00 0.00 175.76 173.09 4rub s TRP 98 N -3.19 3.16 0.00 0.00 0.51 0.50 -3.59 118.94 116.33 4rub s TRP 98 Ca 0.59 -0.13 0.08 0.00 -2.12 0.00 0.00 56.10 54.53 4rub s TRP 98 Cb -0.13 -2.09 -0.02 0.00 -0.81 0.00 0.00 33.47 30.42 4rub s TRP 98 CO 0.54 -0.01 -0.25 0.42 -0.51 0.00 0.00 176.95 177.13 4rub s ILE 99 N 0.66 2.03 0.09 2.03 1.01 0.99 -2.15 121.20 125.85 4rub s ILE 99 Ca 0.02 -1.19 0.02 0.00 0.00 0.00 0.00 60.65 59.51 4rub s ILE 99 Cb -0.13 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 4rub s ILE 99 CO 0.02 0.48 -0.07 -0.60 0.00 0.00 0.00 174.94 174.77 4rub s ARG 100 N -0.83 0.78 -0.09 2.79 3.52 -0.18 -0.82 118.95 124.13 4rub s ARG 100 Ca 0.10 -1.20 0.03 0.00 -0.13 0.00 0.00 55.73 54.54 4rub s ARG 100 Cb -0.10 -0.29 -0.01 0.00 -1.56 0.00 0.00 34.95 33.00 4rub s ARG 100 CO 0.00 0.01 -0.21 0.42 -0.81 0.00 0.00 175.30 174.72 4rub s ILE 101 N -2.99 2.40 0.18 4.11 1.01 -0.93 -2.60 121.20 122.37 4rub s ILE 101 Ca 0.07 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 59.86 4rub s ILE 101 Cb 0.01 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 4rub s ILE 101 CO -0.03 0.56 -0.11 0.27 0.00 0.00 0.00 174.94 175.63 4rub s ILE 102 N 0.14 1.40 -0.12 2.92 -4.36 -0.53 -2.43 121.20 118.22 4rub s ILE 102 Ca -0.11 -2.12 -0.01 0.00 -0.26 0.00 0.00 60.65 58.15 4rub s ILE 102 Cb -0.16 -1.98 0.03 0.00 1.25 0.00 0.00 42.46 41.60 4rub s ILE 102 CO 0.06 -0.65 -0.05 -0.83 0.24 0.00 0.00 174.94 173.71 4rub s GLY 103 N -3.24 0.79 -0.07 6.27 0.00 -0.49 -0.72 107.32 109.85 4rub s GLY 103 Ca 0.20 -0.54 -0.23 0.00 0.00 0.00 0.00 44.72 44.15 4rub s GLY 103 CO 0.04 0.93 0.69 -1.36 0.00 0.00 0.00 173.10 173.40 4rub s PHE 104 N 1.75 3.57 -1.00 1.90 0.08 -0.43 0.80 117.98 124.65 4rub s PHE 104 Ca 0.04 1.24 -0.12 0.00 0.12 0.00 0.00 56.93 58.21 4rub s PHE 104 Cb -0.13 -2.80 0.24 0.00 -0.57 0.00 0.00 43.02 39.76 4rub s PHE 104 CO -0.08 0.09 0.99 0.34 -0.10 0.00 0.00 175.22 176.46 4rub s ASP 105 N 0.80 7.07 0.40 1.36 2.15 -0.65 -1.87 116.67 125.92 4rub s ASP 105 Ca 0.37 -3.15 0.17 0.00 0.43 0.00 0.00 52.55 50.37 4rub s ASP 105 Cb -0.18 -2.23 0.94 0.00 -0.30 0.00 0.00 42.92 41.16 4rub s ASP 105 CO 0.18 -0.45 1.46 -0.55 -0.17 0.00 0.00 175.17 175.64 4rub h ASN 106 N 7.21 0.00 0.32 -0.34 7.08 -1.90 0.23 115.58 128.18 4rub h ASN 106 Ca 0.16 0.00 -0.33 0.00 -3.08 0.00 0.00 56.30 53.05 4rub h ASN 106 Cb 0.95 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 37.21 4rub h ASN 106 CO 0.92 0.00 -1.52 0.58 -2.08 0.00 0.00 177.43 175.33 4rub h VAL 107 N 0.00 1.22 0.00 6.14 2.07 -1.96 -3.33 116.25 120.39 4rub h VAL 107 Ca 0.00 -2.72 0.00 0.00 0.82 0.00 0.00 66.70 64.80 4rub h VAL 107 Cb 0.58 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 4rub h VAL 107 CO 0.00 0.84 -1.70 0.54 0.02 0.00 0.00 177.57 177.27 4rub n ARG 108 N -3.63 0.53 -3.43 1.57 1.74 -0.96 -5.01 116.66 107.47 4rub n ARG 108 Ca -0.17 -0.13 -0.20 0.00 -0.77 0.00 0.00 57.85 56.58 4rub n ARG 108 Cb 1.08 -1.55 0.06 0.00 -1.02 0.00 0.00 32.46 31.04 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 -2.15 -2.77 -4.19 5.56 6.02 0.76 -5.02 117.38 115.59 4rub n GLN 109 Ca -0.02 0.74 -0.16 0.00 -0.01 0.00 0.00 57.00 57.55 4rub n GLN 109 Cb 0.52 -5.34 -0.11 0.00 1.02 0.00 0.00 30.24 26.33 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 -3.44 1.07 -0.41 5.09 -7.23 -1.21 -4.97 120.40 109.30 4rub s VAL 110 Ca 0.36 -1.59 -0.27 0.00 -1.81 0.00 0.00 61.98 58.68 4rub s VAL 110 Cb -0.07 -1.33 0.02 0.00 0.56 0.00 0.00 36.38 35.55 4rub s VAL 110 CO 0.78 -0.45 0.98 -1.10 -0.31 0.00 0.00 175.10 175.00 4rub s GLN 111 N -2.53 3.77 0.24 4.82 -0.21 -1.26 -1.63 119.66 122.85 4rub s GLN 111 Ca 0.05 0.53 0.26 0.00 0.02 0.00 0.00 55.36 56.21 4rub s GLN 111 Cb -0.05 -3.85 0.79 0.00 1.00 0.00 0.00 33.01 30.91 4rub s GLN 111 CO 0.01 -1.10 1.76 0.00 -2.12 0.00 0.00 175.29 173.85 4rub s ILE 113 N -3.14 0.02 -0.30 0.00 2.07 -1.18 -4.94 121.20 113.73 4rub s ILE 113 Ca 0.10 -0.44 -0.17 0.00 -1.41 0.00 0.00 60.65 58.73 4rub s ILE 113 Cb 0.11 -1.31 0.22 0.00 0.13 0.00 0.00 42.46 41.61 4rub s ILE 113 CO 0.58 -0.09 1.30 -0.55 -1.91 0.00 0.00 174.94 174.27 4rub s SER 114 N -2.81 -0.02 -0.18 4.50 0.15 -1.25 -1.40 113.70 112.68 4rub s SER 114 Ca 0.05 0.03 -0.20 0.00 0.70 0.00 0.00 55.95 56.53 4rub s SER 114 Cb -0.01 0.95 0.05 0.00 -1.71 0.00 0.00 66.02 65.30 4rub s SER 114 CO -0.08 -0.00 0.54 0.72 1.20 0.00 0.00 173.24 175.62 4rub s PHE 115 N 0.95 -0.58 0.05 3.44 -0.71 -1.02 -4.55 117.98 115.57 4rub s PHE 115 Ca -0.07 1.38 -0.30 0.00 -1.04 0.00 0.00 56.93 56.89 4rub s PHE 115 Cb -0.02 0.21 -0.05 0.00 -1.21 0.00 0.00 43.02 41.95 4rub s PHE 115 CO -0.10 -0.31 1.15 -1.50 -1.34 0.00 0.00 175.22 173.12 4rub s ILE 116 N 0.11 4.19 -0.61 -4.49 2.07 -1.26 -2.19 121.20 119.01 4rub s ILE 116 Ca -0.01 1.58 0.23 0.00 -1.41 0.00 0.00 60.65 61.03 4rub s ILE 116 Cb -0.04 -4.01 -0.12 0.00 0.13 0.00 0.00 42.46 38.43 4rub s ILE 116 CO 0.02 0.13 1.02 0.00 -1.91 0.00 0.00 174.94 174.19 4rub n ALA 117 N 3.89 3.42 -3.41 1.50 0.00 0.00 -4.93 120.51 120.98 4rub n ALA 117 Ca 0.08 -0.41 0.02 0.00 0.00 0.00 0.00 53.44 53.13 4rub n ALA 117 Cb 0.47 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 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 -3.20 -0.42 0.12 0.00 6.14 -0.71 -4.95 117.35 114.34 4rub s TYR 118 Ca 0.04 0.75 0.02 0.00 0.64 0.00 0.00 57.07 58.52 4rub s TYR 118 Cb 0.14 0.25 -0.04 0.00 0.42 0.00 0.00 41.96 42.74 4rub s TYR 118 CO 0.80 -0.21 0.20 0.15 0.64 0.00 0.00 175.55 177.14 4rub s LYS 119 N 1.98 3.25 0.91 4.97 1.02 -1.26 -0.01 119.74 130.60 4rub s LYS 119 Ca -0.03 -0.62 -0.13 0.00 0.02 0.00 0.00 55.97 55.20 4rub s LYS 119 Cb -0.04 -2.89 0.18 0.00 -0.52 0.00 0.00 37.83 34.57 4rub s LYS 119 CO -0.16 0.54 1.26 -1.25 -0.92 0.00 0.00 175.35 174.82 4rub s PRO 120 N -2.89 0.88 -0.10 -1.68 0.04 -1.24 -4.94 135.00 125.08 4rub s PRO 120 Ca 0.33 -0.52 -0.35 0.00 0.04 0.00 0.00 61.00 60.51 4rub s PRO 120 Cb -0.12 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 32.37 4rub s PRO 120 CO 0.26 -2.21 1.87 0.39 0.04 0.00 0.00 177.00 177.35 4rub n GLU 121 N -3.58 2.10 -1.91 4.56 1.02 -1.26 -3.60 120.64 117.97 4rub n GLU 121 Ca 0.15 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 58.06 4rub n GLU 121 Cb 0.60 -2.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.42 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 4.37 0.65 0.00 0.62 0.00 -1.26 -5.16 105.19 104.41 4rub n GLY 122 Ca 0.23 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.76 4rub n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60