#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 0.18 -0.42 2.12 1.11 -1.26 -5.10 119.66 116.29 4rub s GLN 2 Ca 0.00 0.02 -0.27 0.00 0.01 0.00 0.00 55.36 55.12 4rub s GLN 2 Cb 0.00 -0.28 -0.06 0.00 -1.01 0.00 0.00 33.01 31.67 4rub s GLN 2 CO 0.00 -0.05 2.26 0.08 0.01 0.00 0.00 175.29 177.59 4rub s VAL 3 N 0.48 3.07 0.05 1.09 1.01 -1.26 -4.90 120.40 119.94 4rub s VAL 3 Ca -0.04 0.06 -0.33 0.00 0.00 0.00 0.00 61.98 61.66 4rub s VAL 3 Cb -0.07 -3.15 -0.12 0.00 0.00 0.00 0.00 36.38 33.04 4rub s VAL 3 CO -0.01 -0.13 1.81 1.87 0.00 0.00 0.00 175.10 178.64 4rub n TRP 4 N 14.10 2.42 -1.90 5.22 -0.00 -1.26 -4.84 117.44 131.18 4rub n TRP 4 Ca 0.32 -0.02 -0.41 0.00 -0.00 0.00 0.00 57.50 57.39 4rub n TRP 4 Cb 0.51 -2.67 -0.01 0.00 -0.00 0.00 0.00 31.31 29.14 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 2.97 4.19 0.00 5.87 0.04 -1.26 -4.92 135.00 141.90 4rub s PRO 5 Ca 0.86 2.45 0.28 0.00 0.04 0.00 0.00 61.00 64.62 4rub s PRO 5 Cb -0.60 -3.03 1.06 0.00 0.04 0.00 0.00 34.50 31.96 4rub s PRO 5 CO 0.43 -0.47 1.75 -0.35 0.04 0.00 0.00 177.00 178.41 4rub n PRO 6 N 1.38 0.85 -0.04 0.56 -0.04 -1.26 -4.76 135.00 131.69 4rub n PRO 6 Ca 0.04 -0.39 -0.05 0.00 -0.04 0.00 0.00 63.50 63.05 4rub n PRO 6 Cb 0.39 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 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 -0.73 0.41 -3.17 0.52 -5.35 -1.26 -4.85 119.36 104.93 4rub n ILE 7 Ca 0.14 -0.15 -0.25 0.00 -0.27 0.00 0.00 62.75 62.22 4rub n ILE 7 Cb 0.31 -0.87 -0.06 0.00 -1.74 0.00 0.00 39.64 37.28 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 -2.80 3.24 -2.12 7.28 3.02 -1.26 -4.80 115.26 117.82 4rub n ASN 8 Ca -0.13 -3.40 -0.11 0.00 -0.03 0.00 0.00 54.58 50.91 4rub n ASN 8 Cb 0.63 -0.62 0.05 0.00 -0.61 0.00 0.00 39.78 39.24 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 0.39 2.52 -1.69 3.52 4.76 -1.26 -5.09 118.16 121.31 4rub n LYS 9 Ca 0.29 -3.71 -0.44 0.00 -2.87 0.00 0.00 58.31 51.58 4rub n LYS 9 Cb 0.45 -1.83 -0.04 0.00 -1.84 0.00 0.00 35.03 31.78 4rub n LYS 9 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 4rub n LYS 10 N -0.63 2.46 -2.93 1.97 4.76 -1.26 -4.97 118.16 117.56 4rub n LYS 10 Ca 0.26 0.89 -0.20 0.00 -2.87 0.00 0.00 58.31 56.39 4rub n LYS 10 Cb 0.90 -2.70 0.06 0.00 -1.84 0.00 0.00 35.03 31.45 4rub n LYS 10 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 4rub s LYS 11 N 1.29 2.26 -0.30 1.97 -0.14 -1.26 -5.04 119.74 118.53 4rub s LYS 11 Ca 0.78 -1.45 0.19 0.00 -1.36 0.00 0.00 55.97 54.13 4rub s LYS 11 Cb -0.59 -2.60 0.48 0.00 -1.68 0.00 0.00 37.83 33.44 4rub s LYS 11 CO 0.36 -0.89 1.11 0.66 -0.76 0.00 0.00 175.35 175.83 4rub n TYR 12 N -2.31 0.67 -4.94 3.18 4.02 -1.26 -5.10 117.16 111.42 4rub n TYR 12 Ca 0.14 -2.31 0.00 0.00 -0.01 0.00 0.00 57.90 55.72 4rub n TYR 12 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.93 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 -0.50 0.00 -1.59 -0.72 -0.58 -1.26 -4.49 120.64 111.50 4rub n GLU 13 Ca 0.05 0.00 -0.51 0.00 -0.42 0.00 0.00 57.16 56.28 4rub n GLU 13 Cb 0.82 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 0.16 0.00 2.62 -1.04 -1.26 -1.90 114.28 112.86 4rub n THR 14 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 4rub n THR 14 Cb 0.00 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 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 2.50 0.00 -0.24 -4.42 4.77 -1.26 -4.46 117.00 113.88 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 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 4rub n LEU 15 CO 0.62 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 175.14 4rub n SER 16 N 0.31 0.00 -0.03 -1.43 3.41 -0.80 -1.27 113.62 113.82 4rub n SER 16 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 4rub n SER 16 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.02 0.00 -3.28 7.33 4.02 -1.26 -4.78 117.16 119.17 4rub n TYR 17 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.69 4rub n TYR 17 Cb 0.00 0.00 0.00 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 -1.27 3.84 0.53 7.72 1.43 -0.40 -5.08 118.68 125.47 4rub s LEU 18 Ca 0.01 -0.09 -0.21 0.00 -1.03 0.00 0.00 54.13 52.80 4rub s LEU 18 Cb 0.01 -2.84 -0.05 0.00 0.03 0.00 0.00 46.19 43.34 4rub s LEU 18 CO 0.04 -0.55 1.25 -2.84 0.23 0.00 0.00 176.35 174.48 4rub s PRO 19 N -4.30 3.29 -0.29 1.29 0.02 -1.26 -4.84 135.00 128.90 4rub s PRO 19 Ca 0.47 1.96 -0.36 0.00 0.02 0.00 0.00 61.00 63.09 4rub s PRO 19 Cb -0.10 -2.21 -0.16 0.00 0.02 0.00 0.00 34.50 32.06 4rub s PRO 19 CO 0.33 -0.99 1.16 -0.25 -0.33 0.00 0.00 177.00 176.93 4rub n ASP 20 N -1.02 0.70 -4.70 2.53 9.92 -1.26 -4.79 116.55 117.93 4rub n ASP 20 Ca 0.10 0.95 -0.42 0.00 -0.53 0.00 0.00 54.79 54.89 4rub n ASP 20 Cb 0.47 -0.71 -0.03 0.00 -0.64 0.00 0.00 41.12 40.21 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 1.74 4.34 0.90 0.64 1.43 -1.26 -4.98 118.68 121.48 4rub s LEU 21 Ca 0.81 2.23 -0.11 0.00 -1.03 0.00 0.00 54.13 56.03 4rub s LEU 21 Cb -1.15 -3.57 0.13 0.00 0.03 0.00 0.00 46.19 41.63 4rub s LEU 21 CO 0.60 -0.71 1.09 -0.94 0.23 0.00 0.00 176.35 176.62 4rub s SER 22 N 1.67 3.39 0.49 2.29 1.04 -1.26 -4.69 113.70 116.63 4rub s SER 22 Ca 0.65 1.55 0.19 0.00 0.48 0.00 0.00 55.95 58.82 4rub s SER 22 Cb -0.34 -2.22 1.22 0.00 0.10 0.00 0.00 66.02 64.78 4rub s SER 22 CO 0.29 -2.70 2.05 -0.61 0.98 0.00 0.00 173.24 173.25 4rub h GLN 23 N -1.59 0.00 0.59 4.02 4.15 -1.98 0.93 115.11 121.22 4rub h GLN 23 Ca -0.49 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.90 4rub h GLN 23 Cb 1.28 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.98 4rub h GLN 23 CO 0.53 0.13 -0.28 1.49 -1.93 0.00 0.00 178.83 178.77 4rub h GLU 24 N 0.00 -0.76 -0.75 1.69 4.57 -1.99 0.28 114.58 117.62 4rub h GLU 24 Ca -0.00 0.05 0.14 0.00 -1.18 0.00 0.00 59.36 58.37 4rub h GLU 24 Cb 0.26 0.17 -0.10 0.00 -0.16 0.00 0.00 28.75 28.92 4rub h GLU 24 CO 0.02 -0.46 0.29 1.96 -1.18 0.00 0.00 179.01 179.64 4rub h GLN 25 N -0.92 0.42 -0.48 1.92 4.20 -1.74 0.30 115.11 118.82 4rub h GLN 25 Ca -0.08 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 4rub h GLN 25 Cb 0.65 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 4rub h GLN 25 CO 0.13 0.28 0.00 1.25 -0.67 0.00 0.00 178.83 179.82 4rub h LEU 26 N 0.43 0.82 -1.75 1.46 6.46 0.10 -2.67 115.31 120.18 4rub h LEU 26 Ca 0.41 -0.31 0.06 0.00 -0.12 0.00 0.00 57.88 57.92 4rub h LEU 26 Cb 0.62 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 4rub h LEU 26 CO -0.41 0.93 0.28 0.25 -0.62 0.00 0.00 178.44 178.87 4rub h LEU 27 N 0.70 0.28 -0.96 2.25 6.46 0.32 -1.65 115.31 122.70 4rub h LEU 27 Ca 0.13 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 4rub h LEU 27 Cb 0.51 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.34 4rub h LEU 27 CO 0.02 0.18 0.50 0.28 -0.62 0.00 0.00 178.44 178.80 4rub h SER 28 N 0.32 1.10 0.26 1.25 0.02 -0.75 -0.85 113.55 114.89 4rub h SER 28 Ca 0.18 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 4rub h SER 28 Cb 0.31 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.57 4rub h SER 28 CO -0.04 0.87 -0.13 -0.33 -1.14 0.00 0.00 176.83 176.07 4rub h GLU 29 N 1.24 -0.34 -1.10 3.45 3.07 -1.26 0.11 114.58 119.75 4rub h GLU 29 Ca 0.31 0.02 0.32 0.00 -0.50 0.00 0.00 59.36 59.52 4rub h GLU 29 Cb 0.01 0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 4rub h GLU 29 CO -0.05 -0.23 0.79 0.28 -1.40 0.00 0.00 179.01 178.40 4rub h VAL 30 N -0.38 0.45 -0.07 3.13 2.07 -1.46 0.65 116.25 120.64 4rub h VAL 30 Ca -0.04 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 4rub h VAL 30 Cb 0.27 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 4rub h VAL 30 CO 0.06 0.00 0.02 -0.33 0.02 0.00 0.00 177.57 177.34 4rub h GLU 31 N 0.01 0.11 -0.70 1.57 5.08 -0.81 -2.12 114.58 117.71 4rub h GLU 31 Ca 0.52 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 4rub h GLU 31 Cb 2.09 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 31.30 4rub h GLU 31 CO -0.01 0.31 0.45 -0.92 -1.00 0.00 0.00 179.01 177.84 4rub h TYR 32 N -0.11 0.90 0.04 4.33 3.20 0.28 0.17 116.97 125.80 4rub h TYR 32 Ca 0.02 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.93 4rub h TYR 32 Cb 0.25 -0.30 -0.05 0.00 1.54 0.00 0.00 36.73 38.17 4rub h TYR 32 CO 0.01 0.58 -0.40 1.25 -1.64 0.00 0.00 178.16 177.96 4rub h LEU 33 N 0.96 -1.19 0.02 2.82 5.85 -0.79 -1.93 115.31 121.05 4rub h LEU 33 Ca 0.26 0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.12 4rub h LEU 33 Cb -0.08 0.46 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 4rub h LEU 33 CO -0.05 -0.45 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.50 4rub h LEU 34 N -0.58 -0.07 -1.55 2.25 3.38 -1.02 -1.53 115.31 116.19 4rub h LEU 34 Ca 0.04 0.01 0.45 0.00 0.09 0.00 0.00 57.88 58.47 4rub h LEU 34 Cb 0.64 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.31 4rub h LEU 34 CO -0.28 -0.04 0.95 0.50 0.09 0.00 0.00 178.44 179.66 4rub h LYS 35 N -0.05 0.07 0.00 1.13 3.11 -0.12 -0.40 116.57 120.31 4rub h LYS 35 Ca 0.01 -0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.68 4rub h LYS 35 Cb 0.06 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.24 4rub h LYS 35 CO -0.02 0.05 -1.09 -0.91 -2.81 0.00 0.00 179.45 174.67 4rub h ASN 36 N 0.07 0.00 0.00 4.20 4.21 -0.52 -3.49 115.58 120.05 4rub h ASN 36 Ca 0.82 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.33 4rub h ASN 36 Cb 2.74 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.94 4rub h ASN 36 CO -0.32 0.65 0.00 0.61 -1.29 0.00 0.00 177.43 177.09 4rub n GLY 37 N 1.35 1.14 3.78 2.83 0.00 -0.16 -5.10 105.19 109.03 4rub n GLY 37 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 3.46 -0.22 1.61 0.51 -1.14 -4.83 118.94 116.34 4rub s TRP 38 Ca 0.00 1.70 -0.22 0.00 -2.12 0.00 0.00 56.10 55.46 4rub s TRP 38 Cb 0.00 -3.09 -0.02 0.00 -0.81 0.00 0.00 33.47 29.55 4rub s TRP 38 CO 0.00 -0.34 0.69 0.08 -0.51 0.00 0.00 176.95 176.87 4rub s VAL 39 N -1.55 4.96 0.36 4.03 1.01 -0.21 -4.55 120.40 124.45 4rub s VAL 39 Ca 0.53 1.30 -0.26 0.00 0.00 0.00 0.00 61.98 63.55 4rub s VAL 39 Cb -0.23 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 4rub s VAL 39 CO 0.29 0.04 1.06 -2.84 0.00 0.00 0.00 175.10 173.64 4rub s PRO 40 N 2.30 4.32 0.07 2.72 0.02 -1.26 -1.10 135.00 142.06 4rub s PRO 40 Ca 0.30 1.58 0.00 0.00 0.02 0.00 0.00 61.00 62.90 4rub s PRO 40 Cb -0.16 -2.74 -0.04 0.00 0.02 0.00 0.00 34.50 31.59 4rub s PRO 40 CO 0.09 -0.02 -0.04 0.00 -0.33 0.00 0.00 177.00 176.70 4rub s LEU 42 N -2.92 2.33 -0.17 0.00 1.02 -1.26 -1.38 118.68 116.31 4rub s LEU 42 Ca 0.08 -0.71 -0.17 0.00 0.02 0.00 0.00 54.13 53.35 4rub s LEU 42 Cb 0.06 -0.72 0.05 0.00 0.02 0.00 0.00 46.19 45.60 4rub s LEU 42 CO -0.08 -0.03 0.47 -1.61 0.02 0.00 0.00 176.35 175.12 4rub s GLU 43 N -2.12 0.56 0.19 1.70 2.02 -0.99 0.18 118.70 120.24 4rub s GLU 43 Ca 0.06 0.60 0.05 0.00 0.02 0.00 0.00 54.97 55.70 4rub s GLU 43 Cb -0.08 0.27 -0.05 0.00 0.10 0.00 0.00 34.13 34.37 4rub s GLU 43 CO 0.04 -0.08 -0.07 -0.59 0.02 0.00 0.00 175.26 174.58 4rub s PHE 44 N 0.14 1.44 -0.16 1.61 -0.71 0.24 -0.48 117.98 120.06 4rub s PHE 44 Ca -0.01 -0.79 -0.08 0.00 -1.04 0.00 0.00 56.93 55.02 4rub s PHE 44 Cb -0.03 -0.77 0.06 0.00 -1.21 0.00 0.00 43.02 41.08 4rub s PHE 44 CO 0.01 0.09 0.38 -2.00 -1.34 0.00 0.00 175.22 172.35 4rub s GLU 45 N -3.77 0.33 0.00 1.99 2.56 -0.63 -1.10 118.70 118.08 4rub s GLU 45 Ca 0.22 0.80 0.14 0.00 0.00 0.00 0.00 54.97 56.13 4rub s GLU 45 Cb 0.03 0.03 0.10 0.00 2.00 0.00 0.00 34.13 36.30 4rub s GLU 45 CO 0.04 -0.19 0.93 0.25 -0.56 0.00 0.00 175.26 175.74 4rub n THR 46 N 4.58 0.00 0.00 -1.70 -2.24 -1.26 -0.99 114.28 112.67 4rub n THR 46 Ca -0.19 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 4rub n THR 46 Cb 0.53 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 70.05 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 0.69 2.28 -3.61 -0.78 2.13 -1.26 -4.88 120.64 115.20 4rub n GLU 47 Ca 0.08 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.63 4rub n GLU 47 Cb 0.35 -0.79 -0.10 0.00 0.27 0.00 0.00 31.44 31.17 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 -1.37 1.81 0.16 4.31 8.25 -1.26 -4.91 115.22 122.20 4rub n HIS 48 Ca 0.00 -3.93 0.19 0.00 -0.26 0.00 0.00 57.72 53.71 4rub n HIS 48 Cb 0.29 -0.34 0.72 0.00 1.12 0.00 0.00 29.99 31.78 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 5.10 0.00 -3.46 -1.41 0.00 -1.92 -3.43 103.07 97.95 4rub h GLY 49 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.39 4rub h GLY 49 CO 0.62 0.00 -0.63 -1.36 0.00 0.00 0.00 176.54 175.17 4rub s PHE 50 N -4.43 0.42 0.63 5.60 0.08 -1.26 -5.12 117.98 113.91 4rub s PHE 50 Ca -0.04 -0.91 -0.17 0.00 0.12 0.00 0.00 56.93 55.93 4rub s PHE 50 Cb 0.13 -0.31 -0.04 0.00 -0.57 0.00 0.00 43.02 42.23 4rub s PHE 50 CO 0.44 -0.38 0.84 1.33 -0.10 0.00 0.00 175.22 177.35 4rub n VAL 51 N 0.29 3.19 -4.06 -0.44 0.24 -1.26 -4.79 118.33 111.49 4rub n VAL 51 Ca -0.16 -0.47 -0.04 0.00 -2.04 0.00 0.00 64.34 61.64 4rub n VAL 51 Cb 0.60 -1.02 -0.01 0.00 -1.47 0.00 0.00 33.84 31.94 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 -1.96 -0.09 -2.91 6.34 4.11 0.63 -4.97 117.16 118.30 4rub n TYR 52 Ca 0.13 -0.50 -0.13 0.00 -0.00 0.00 0.00 57.90 57.40 4rub n TYR 52 Cb 0.48 0.04 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 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 -0.13 0.71 -0.08 -3.48 1.74 -1.26 0.15 116.66 114.31 4rub n ARG 53 Ca 0.01 -2.26 -0.07 0.00 -0.77 0.00 0.00 57.85 54.75 4rub n ARG 53 Cb 0.11 -1.40 -0.03 0.00 -1.02 0.00 0.00 32.46 30.12 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 1.73 0.48 0.16 5.56 0.00 -1.26 -4.57 120.64 122.75 4rub n GLU 54 Ca 0.14 0.44 0.13 0.00 0.00 0.00 0.00 57.16 57.87 4rub n GLU 54 Cb 0.59 -1.62 0.56 0.00 0.00 0.00 0.00 31.44 30.96 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 -4.74 4.31 -0.26 -1.99 -3.47 115.58 108.43 4rub h ASN 55 Ca -0.03 0.00 0.12 0.00 -0.56 0.00 0.00 56.30 55.82 4rub h ASN 55 Cb 0.71 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 37.82 4rub h ASN 55 CO -0.02 0.00 0.49 0.21 -1.06 0.00 0.00 177.43 177.05 4rub s ASN 56 N -4.43 -0.34 -0.02 5.81 2.47 -1.26 -5.04 114.94 112.12 4rub s ASN 56 Ca 0.02 -0.05 0.03 0.00 0.42 0.00 0.00 52.86 53.28 4rub s ASN 56 Cb 0.09 0.40 0.04 0.00 -1.45 0.00 0.00 41.25 40.33 4rub s ASN 56 CO 0.38 -0.66 0.90 0.29 -3.72 0.00 0.00 177.10 174.29 4rub n LYS 57 N -0.28 0.41 -0.62 0.43 5.02 -1.26 -4.77 118.16 117.10 4rub n LYS 57 Ca -0.09 -1.16 -0.29 0.00 -2.02 0.00 0.00 58.31 54.76 4rub n LYS 57 Cb 0.62 -0.69 0.25 0.00 -0.02 0.00 0.00 35.03 35.19 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 -1.05 0.56 0.49 4.39 1.04 -1.26 -4.85 113.70 113.03 4rub s SER 58 Ca 0.05 1.21 -0.24 0.00 0.48 0.00 0.00 55.95 57.45 4rub s SER 58 Cb 0.04 -1.85 -0.07 0.00 0.10 0.00 0.00 66.02 64.24 4rub s SER 58 CO 0.00 -4.41 1.42 -2.84 0.98 0.00 0.00 173.24 168.38 4rub s PRO 59 N -4.74 3.45 0.00 4.02 0.02 -1.26 -2.26 135.00 134.23 4rub s PRO 59 Ca 0.68 2.38 0.00 0.00 0.02 0.00 0.00 61.00 64.08 4rub s PRO 59 Cb -0.20 -2.50 0.00 0.00 0.02 0.00 0.00 34.50 31.82 4rub s PRO 59 CO 0.62 -0.99 0.00 0.41 -0.33 0.00 0.00 177.00 176.71 4rub n GLY 60 N 0.63 1.06 3.63 0.52 0.00 -1.26 -4.98 105.19 104.79 4rub n GLY 60 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.40 3.25 -0.05 1.61 6.14 -0.96 -5.04 117.35 119.91 4rub s TYR 61 Ca 0.00 0.05 -0.02 0.00 0.64 0.00 0.00 57.07 57.74 4rub s TYR 61 Cb 0.00 -2.10 0.03 0.00 0.42 0.00 0.00 41.96 40.31 4rub s TYR 61 CO 0.00 0.12 0.11 0.71 0.64 0.00 0.00 175.55 177.13 4rub s TYR 62 N 0.47 -0.11 0.33 4.97 2.02 -1.26 -4.63 117.35 119.14 4rub s TYR 62 Ca 0.03 0.34 -0.03 0.00 -0.37 0.00 0.00 57.07 57.04 4rub s TYR 62 Cb -0.13 -0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.32 4rub s TYR 62 CO 0.01 -0.11 0.57 -0.51 -1.57 0.00 0.00 175.55 173.94 4rub s ASP 63 N 0.77 6.37 0.00 2.29 1.01 0.39 -4.42 116.67 123.08 4rub s ASP 63 Ca -0.06 0.64 0.00 0.00 0.71 0.00 0.00 52.55 53.84 4rub s ASP 63 Cb -0.08 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.74 4rub s ASP 63 CO -0.03 -0.27 0.00 0.61 0.21 0.00 0.00 175.17 175.69 4rub n GLY 64 N -1.38 0.69 0.10 0.21 0.00 -1.26 0.23 105.19 103.77 4rub n GLY 64 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 4.21 0.10 -6.91 1.61 3.08 -1.94 -3.37 114.38 111.16 4rub h ARG 65 Ca 0.00 -0.17 -0.52 0.00 0.07 0.00 0.00 59.98 59.36 4rub h ARG 65 Cb 0.00 0.06 0.07 0.00 0.08 0.00 0.00 29.97 30.18 4rub h ARG 65 CO 0.00 1.08 0.62 0.71 -1.07 0.00 0.00 179.97 181.31 4rub s TYR 66 N -2.34 2.93 0.29 3.04 2.02 -1.26 -5.05 117.35 116.99 4rub s TYR 66 Ca -0.21 1.41 0.03 0.00 -0.37 0.00 0.00 57.07 57.94 4rub s TYR 66 Cb 0.01 -3.67 -0.06 0.00 -0.40 0.00 0.00 41.96 37.84 4rub s TYR 66 CO 0.71 -1.97 0.07 -1.58 -1.57 0.00 0.00 175.55 171.21 4rub s TRP 67 N -1.21 1.78 0.09 2.71 0.52 -1.26 -5.09 118.94 116.48 4rub s TRP 67 Ca 0.53 -1.04 -0.25 0.00 0.02 0.00 0.00 56.10 55.35 4rub s TRP 67 Cb -0.39 -1.12 -0.06 0.00 -1.15 0.00 0.00 33.47 30.75 4rub s TRP 67 CO 0.51 -0.13 0.79 0.99 0.02 0.00 0.00 176.95 179.13 4rub s THR 68 N -3.48 4.58 0.27 2.01 2.01 -0.26 -4.86 115.64 115.91 4rub s THR 68 Ca 0.37 1.69 -0.29 0.00 0.31 0.00 0.00 61.69 63.77 4rub s THR 68 Cb 0.08 -4.14 -0.09 0.00 0.01 0.00 0.00 72.50 68.36 4rub s THR 68 CO 0.14 0.42 1.23 -0.32 -0.69 0.00 0.00 174.62 175.40 4rub s MET 69 N -0.45 4.47 -0.40 4.92 1.75 -1.26 -0.59 119.30 127.74 4rub s MET 69 Ca 0.38 2.01 -0.17 0.00 -1.25 0.00 0.00 55.69 56.66 4rub s MET 69 Cb -0.22 -3.16 0.01 0.00 2.84 0.00 0.00 34.83 34.31 4rub s MET 69 CO 0.25 -0.06 0.44 -0.46 -0.65 0.00 0.00 175.02 174.53 4rub s TRP 70 N -0.73 3.17 0.00 4.11 -0.11 0.13 -4.83 118.94 120.68 4rub s TRP 70 Ca 0.50 -0.23 0.00 0.00 1.22 0.00 0.00 56.10 57.59 4rub s TRP 70 Cb -0.36 -2.87 0.00 0.00 -1.50 0.00 0.00 33.47 28.74 4rub s TRP 70 CO 0.44 -0.64 0.00 1.63 -4.62 0.00 0.00 176.95 173.76 4rub n LYS 71 N 5.60 0.00 -4.36 5.86 5.02 -1.26 -4.40 118.16 124.61 4rub n LYS 71 Ca -0.07 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.03 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 2.21 0.21 -0.35 1.02 -1.26 -5.06 118.68 115.45 4rub s LEU 72 Ca 0.00 -1.25 -0.31 0.00 0.02 0.00 0.00 54.13 52.60 4rub s LEU 72 Cb 0.00 -0.33 -0.10 0.00 0.02 0.00 0.00 46.19 45.77 4rub s LEU 72 CO 0.00 -0.51 1.54 -2.16 0.02 0.00 0.00 176.35 175.24 4rub s PRO 73 N -3.85 4.22 -1.06 1.29 0.04 -1.26 -4.72 135.00 129.65 4rub s PRO 73 Ca 0.30 2.38 -0.18 0.00 0.04 0.00 0.00 61.00 63.54 4rub s PRO 73 Cb 0.06 -3.12 0.12 0.00 0.04 0.00 0.00 34.50 31.60 4rub s PRO 73 CO 0.10 -0.56 1.33 0.00 0.04 0.00 0.00 177.00 177.91 4rub s MET 74 N 0.52 3.77 0.77 4.56 0.23 -0.49 -4.98 119.30 123.68 4rub s MET 74 Ca 0.66 -1.90 -0.13 0.00 -1.03 0.00 0.00 55.69 53.29 4rub s MET 74 Cb -0.44 -5.10 0.06 0.00 -1.53 0.00 0.00 34.83 27.82 4rub s MET 74 CO 0.37 -1.90 1.16 -0.06 -2.03 0.00 0.00 175.02 172.56 4rub s PHE 75 N 2.93 2.11 0.00 3.16 0.08 -1.26 -3.24 117.98 121.77 4rub s PHE 75 Ca 0.40 1.63 0.00 0.00 0.12 0.00 0.00 56.93 59.08 4rub s PHE 75 Cb -0.03 -3.34 0.00 0.00 -0.57 0.00 0.00 43.02 39.08 4rub s PHE 75 CO -0.05 -2.41 0.00 0.41 -0.10 0.00 0.00 175.22 173.07 4rub n GLY 76 N 0.00 0.00 3.75 4.36 0.00 -1.26 -4.97 105.19 107.07 4rub n GLY 76 Ca 0.12 0.00 -0.36 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 -1.63 0.00 -3.27 0.00 -2.24 -1.26 -4.99 114.28 100.89 4rub n THR 78 Ca 0.14 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.45 4rub n THR 78 Cb 0.49 1.28 -0.03 0.00 -2.10 0.00 0.00 70.33 69.98 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 6.63 0.33 3.42 2.15 -1.26 -4.84 116.67 123.10 4rub s ASP 79 Ca 0.00 -2.42 0.08 0.00 0.43 0.00 0.00 52.55 50.64 4rub s ASP 79 Cb 0.00 -2.24 0.95 0.00 -0.30 0.00 0.00 42.92 41.33 4rub s ASP 79 CO 0.00 -0.70 1.56 0.00 -0.17 0.00 0.00 175.17 175.86 4rub n ALA 80 N 4.57 0.68 -0.08 3.66 0.00 -1.26 0.26 120.51 128.35 4rub n ALA 80 Ca 0.10 1.05 0.00 0.00 0.00 0.00 0.00 53.44 54.58 4rub n ALA 80 Cb 0.46 -0.85 0.28 0.00 0.00 0.00 0.00 19.45 19.34 4rub n ALA 80 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 4rub h THR 81 N 0.00 1.18 -0.49 0.00 1.35 -1.97 -2.49 112.91 110.50 4rub h THR 81 Ca 0.68 -0.59 -0.02 0.00 -0.55 0.00 0.00 66.41 65.93 4rub h THR 81 Cb 1.57 0.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.58 4rub h THR 81 CO -0.88 0.23 0.22 0.06 -0.25 0.00 0.00 175.52 174.90 4rub h GLN 82 N 0.69 0.71 -0.50 4.72 3.07 0.33 -1.23 115.11 122.90 4rub h GLN 82 Ca 0.17 -0.11 -0.01 0.00 0.09 0.00 0.00 58.65 58.78 4rub h GLN 82 Cb 0.15 -0.12 -0.02 0.00 0.08 0.00 0.00 27.48 27.57 4rub h GLN 82 CO -0.01 0.61 0.26 -0.39 0.09 0.00 0.00 178.83 179.38 4rub h VAL 83 N 0.64 1.16 -0.86 1.86 -1.51 -1.26 -0.50 116.25 115.79 4rub h VAL 83 Ca 0.17 -0.42 0.01 0.00 -1.23 0.00 0.00 66.70 65.22 4rub h VAL 83 Cb 0.14 0.50 -0.04 0.00 -2.13 0.00 0.00 31.29 29.76 4rub h VAL 83 CO -0.02 0.18 0.56 0.25 -1.23 0.00 0.00 177.57 177.32 4rub h LEU 84 N 0.69 0.99 -0.37 4.19 6.46 -1.04 -1.07 115.31 125.16 4rub h LEU 84 Ca 0.18 -0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.95 4rub h LEU 84 Cb 0.04 -0.25 -0.08 0.00 -0.73 0.00 0.00 40.66 39.65 4rub h LEU 84 CO -0.03 0.72 -0.55 0.00 -0.62 0.00 0.00 178.44 177.97 4rub h ALA 85 N 1.31 -0.79 -0.77 1.25 0.00 0.07 0.45 119.26 120.78 4rub h ALA 85 Ca 0.31 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.37 4rub h ALA 85 Cb -0.13 1.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.62 4rub h ALA 85 CO -0.07 -1.05 -0.21 0.93 0.00 0.00 0.00 179.25 178.86 4rub h GLU 86 N -0.42 -0.01 -0.63 0.00 4.39 -0.77 0.88 114.58 118.01 4rub h GLU 86 Ca 0.07 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.89 4rub h GLU 86 Cb 0.60 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.13 4rub h GLU 86 CO -0.56 -0.01 -0.22 0.28 -1.16 0.00 0.00 179.01 177.34 4rub h VAL 87 N -0.01 0.28 -0.19 3.13 2.07 0.33 0.48 116.25 122.34 4rub h VAL 87 Ca 0.36 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.91 4rub h VAL 87 Cb 0.57 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 4rub h VAL 87 CO -0.80 0.00 -0.00 1.23 0.02 0.00 0.00 177.57 178.02 4rub h GLY 88 N -0.06 0.18 0.01 2.17 0.00 0.87 -1.37 103.07 104.88 4rub h GLY 88 Ca 0.29 0.02 0.14 0.00 0.00 0.00 0.00 47.33 47.78 4rub h GLY 88 CO -0.68 -0.04 0.11 -2.09 0.00 0.00 0.00 176.54 173.85 4rub h GLU 89 N 0.06 0.22 -0.03 4.80 4.57 0.24 -1.69 114.58 122.75 4rub h GLU 89 Ca 0.09 -0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.06 4rub h GLU 89 Cb 0.11 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 4rub h GLU 89 CO -0.15 0.14 -0.82 0.00 -1.18 0.00 0.00 179.01 177.00 4rub h ALA 90 N 1.56 0.54 0.00 2.92 0.00 0.53 -2.80 119.26 122.01 4rub h ALA 90 Ca 0.36 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 4rub h ALA 90 Cb 0.58 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 4rub h ALA 90 CO -0.48 0.83 -0.08 1.57 0.00 0.00 0.00 179.25 181.09 4rub h LYS 91 N 0.19 0.00 -6.18 0.00 2.10 -0.51 0.60 116.57 112.76 4rub h LYS 91 Ca -0.04 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.04 4rub h LYS 91 Cb 1.42 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.70 4rub h LYS 91 CO 0.13 0.08 0.70 0.21 -2.00 0.00 0.00 179.45 178.57 4rub s LYS 92 N -4.12 4.33 0.00 0.07 2.20 -0.71 -1.67 119.74 119.84 4rub s LYS 92 Ca -0.03 1.43 0.00 0.00 -0.36 0.00 0.00 55.97 57.01 4rub s LYS 92 Cb 0.12 -3.60 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 4rub s LYS 92 CO 0.55 -0.49 0.00 0.00 -0.36 0.00 0.00 175.35 175.05 4rub n ALA 93 N 5.70 0.00 -3.26 3.13 0.00 -1.25 -4.80 120.51 120.03 4rub n ALA 93 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.30 4rub n ALA 93 Cb 0.47 0.00 -0.07 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 1.34 -0.05 0.00 4.01 0.21 -4.87 117.16 117.79 4rub n TYR 94 Ca 0.00 -3.82 0.11 0.00 -0.16 0.00 0.00 57.90 54.03 4rub n TYR 94 Cb 0.00 -0.44 0.50 0.00 -0.31 0.00 0.00 39.34 39.09 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 3.95 0.39 -0.24 -0.72 0.11 -1.52 -0.93 132.00 133.04 4rub h PRO 95 Ca 0.12 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.21 4rub h PRO 95 Cb 0.79 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.81 4rub h PRO 95 CO 0.62 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 178.67 4rub n GLN 96 N -4.47 1.88 -1.89 1.05 -0.00 -1.26 -4.52 117.38 108.16 4rub n GLN 96 Ca 0.08 -1.33 -0.31 0.00 -0.00 0.00 0.00 57.00 55.44 4rub n GLN 96 Cb 0.32 -1.39 0.01 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 -1.69 3.06 -0.13 2.61 0.00 -0.35 -4.75 121.76 120.51 4rub s ALA 97 Ca 0.32 -0.05 -0.10 0.00 0.00 0.00 0.00 51.96 52.14 4rub s ALA 97 Cb 0.17 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 20.16 4rub s ALA 97 CO 0.25 -0.70 0.19 -1.58 0.00 0.00 0.00 175.76 173.93 4rub s TRP 98 N -3.11 3.56 0.02 0.00 0.51 -0.16 -3.09 118.94 116.67 4rub s TRP 98 Ca 0.56 0.55 0.06 0.00 -2.12 0.00 0.00 56.10 55.15 4rub s TRP 98 Cb -0.11 -2.09 -0.02 0.00 -0.81 0.00 0.00 33.47 30.44 4rub s TRP 98 CO 0.52 0.56 -0.17 0.42 -0.51 0.00 0.00 176.95 177.77 4rub s ILE 99 N -0.52 1.34 0.06 2.03 1.01 0.10 -1.61 121.20 123.60 4rub s ILE 99 Ca 0.15 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.84 4rub s ILE 99 Cb -0.12 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 4rub s ILE 99 CO 0.04 0.18 -0.05 -0.60 0.00 0.00 0.00 174.94 174.50 4rub s ARG 100 N -0.92 0.60 -0.10 2.79 3.52 0.37 -1.62 118.95 123.58 4rub s ARG 100 Ca 0.05 -1.02 0.02 0.00 -0.13 0.00 0.00 55.73 54.65 4rub s ARG 100 Cb -0.08 -0.06 -0.01 0.00 -1.56 0.00 0.00 34.95 33.24 4rub s ARG 100 CO 0.01 -0.03 -0.17 0.42 -0.81 0.00 0.00 175.30 174.72 4rub s ILE 101 N -2.72 2.72 0.23 4.11 1.01 -0.31 -2.34 121.20 123.90 4rub s ILE 101 Ca -0.00 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 59.90 4rub s ILE 101 Cb -0.01 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 4rub s ILE 101 CO -0.04 0.55 -0.03 0.27 0.00 0.00 0.00 174.94 175.68 4rub s ILE 102 N 0.15 1.20 -0.14 2.92 -4.36 -0.48 -1.35 121.20 119.13 4rub s ILE 102 Ca -0.09 -2.06 -0.01 0.00 -0.26 0.00 0.00 60.65 58.22 4rub s ILE 102 Cb -0.15 -2.29 0.04 0.00 1.25 0.00 0.00 42.46 41.31 4rub s ILE 102 CO 0.06 -0.39 -0.01 -0.83 0.24 0.00 0.00 174.94 174.01 4rub s GLY 103 N -3.31 0.73 -0.15 6.27 0.00 0.53 -0.22 107.32 111.16 4rub s GLY 103 Ca 0.27 -0.57 -0.29 0.00 0.00 0.00 0.00 44.72 44.13 4rub s GLY 103 CO 0.08 1.15 1.05 -1.36 0.00 0.00 0.00 173.10 174.02 4rub s PHE 104 N 1.81 3.38 -0.96 1.90 0.08 -0.26 0.45 117.98 124.38 4rub s PHE 104 Ca 0.02 1.48 -0.18 0.00 0.12 0.00 0.00 56.93 58.36 4rub s PHE 104 Cb -0.15 -3.26 0.14 0.00 -0.57 0.00 0.00 43.02 39.18 4rub s PHE 104 CO -0.07 -0.51 1.15 0.34 -0.10 0.00 0.00 175.22 176.03 4rub s ASP 105 N 1.22 6.68 0.00 1.36 -1.08 -0.52 -1.05 116.67 123.29 4rub s ASP 105 Ca 0.48 -2.17 0.00 0.00 -0.52 0.00 0.00 52.55 50.33 4rub s ASP 105 Cb -0.18 -2.39 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 4rub s ASP 105 CO 0.13 -1.01 0.92 -0.46 0.52 0.00 0.00 175.17 175.28 4rub n ASN 106 N 6.35 0.00 0.01 -0.34 0.23 -1.26 -0.08 115.26 120.17 4rub n ASN 106 Ca 0.25 0.42 -0.10 0.00 -0.53 0.00 0.00 54.58 54.63 4rub n ASN 106 Cb 0.48 -0.42 -0.13 0.00 -2.08 0.00 0.00 39.78 37.62 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 -1.95 -3.34 116.25 117.67 4rub h VAL 107 Ca 0.00 -2.90 0.00 0.00 0.82 0.00 0.00 66.70 64.62 4rub h VAL 107 Cb 0.06 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 4rub h VAL 107 CO 0.00 0.68 -0.45 0.54 0.02 0.00 0.00 177.57 178.36 4rub n ARG 108 N -3.20 3.36 -3.58 1.57 1.74 -0.94 -5.02 116.66 110.60 4rub n ARG 108 Ca -0.13 -0.09 -0.19 0.00 -0.77 0.00 0.00 57.85 56.67 4rub n ARG 108 Cb 1.02 -1.01 0.06 0.00 -1.02 0.00 0.00 32.46 31.51 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 -1.10 -5.73 -4.12 5.56 6.02 0.89 -4.99 117.38 113.90 4rub n GLN 109 Ca 0.02 0.73 -0.15 0.00 -0.01 0.00 0.00 57.00 57.59 4rub n GLN 109 Cb 0.17 -5.50 -0.12 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 -3.52 0.83 -0.33 5.09 -7.23 -1.16 -4.96 120.40 109.11 4rub s VAL 110 Ca 0.01 -1.27 -0.27 0.00 -1.81 0.00 0.00 61.98 58.65 4rub s VAL 110 Cb -0.01 -0.92 0.01 0.00 0.56 0.00 0.00 36.38 36.03 4rub s VAL 110 CO 0.77 -0.35 0.96 -1.10 -0.31 0.00 0.00 175.10 175.07 4rub s GLN 111 N -1.85 3.97 0.22 4.82 -0.21 -1.26 -1.44 119.66 123.90 4rub s GLN 111 Ca -0.04 0.80 0.26 0.00 0.02 0.00 0.00 55.36 56.39 4rub s GLN 111 Cb -0.09 -3.76 0.71 0.00 1.00 0.00 0.00 33.01 30.88 4rub s GLN 111 CO 0.01 -0.86 1.70 0.00 -2.12 0.00 0.00 175.29 174.02 4rub s ILE 113 N -3.12 0.00 -0.29 0.00 2.07 -1.22 -4.93 121.20 113.71 4rub s ILE 113 Ca 0.10 0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 59.15 4rub s ILE 113 Cb 0.12 -1.00 0.13 0.00 0.13 0.00 0.00 42.46 41.84 4rub s ILE 113 CO 0.62 0.00 0.95 -0.55 -1.91 0.00 0.00 174.94 174.05 4rub s SER 114 N -2.02 -0.55 -0.21 4.50 0.15 -1.26 -0.35 113.70 113.97 4rub s SER 114 Ca -0.03 0.92 -0.19 0.00 0.70 0.00 0.00 55.95 57.36 4rub s SER 114 Cb -0.01 1.14 0.06 0.00 -1.71 0.00 0.00 66.02 65.50 4rub s SER 114 CO -0.03 -0.15 0.55 0.72 1.20 0.00 0.00 173.24 175.53 4rub s PHE 115 N 1.06 -0.62 0.18 3.44 -0.12 -0.46 -4.50 117.98 116.95 4rub s PHE 115 Ca -0.06 1.50 -0.30 0.00 -0.05 0.00 0.00 56.93 58.02 4rub s PHE 115 Cb -0.04 0.23 -0.08 0.00 -0.63 0.00 0.00 43.02 42.50 4rub s PHE 115 CO -0.13 -0.30 1.19 -1.50 -0.05 0.00 0.00 175.22 174.43 4rub s ILE 116 N 0.40 3.61 -1.88 -4.49 2.07 -1.26 -1.16 121.20 118.48 4rub s ILE 116 Ca -0.01 1.34 0.22 0.00 -1.41 0.00 0.00 60.65 60.79 4rub s ILE 116 Cb -0.04 -3.86 -0.03 0.00 0.13 0.00 0.00 42.46 38.66 4rub s ILE 116 CO -0.01 0.21 1.04 0.00 -1.91 0.00 0.00 174.94 174.27 4rub n ALA 117 N 2.59 3.62 0.00 1.50 0.00 -0.64 -4.90 120.51 122.67 4rub n ALA 117 Ca 0.05 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.86 4rub n ALA 117 Cb 0.45 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.14 4rub n ALA 117 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 4rub n TYR 118 N -0.16 0.00 -3.76 0.00 4.19 -0.86 -4.91 117.16 111.66 4rub n TYR 118 Ca 0.08 0.00 -0.23 0.00 3.31 0.00 0.00 57.90 61.06 4rub n TYR 118 Cb 0.44 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 40.25 4rub n TYR 118 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 4rub s LYS 119 N 0.00 3.46 0.96 2.98 1.02 -1.26 0.01 119.74 126.91 4rub s LYS 119 Ca 0.00 -0.56 -0.15 0.00 0.02 0.00 0.00 55.97 55.28 4rub s LYS 119 Cb 0.00 -2.82 0.22 0.00 -0.52 0.00 0.00 37.83 34.70 4rub s LYS 119 CO 0.00 0.35 1.30 -0.35 -0.92 0.00 0.00 175.35 175.74 4rub n PRO 120 N -1.33 -1.15 -1.68 -1.68 -0.04 -1.18 -4.94 135.00 123.00 4rub n PRO 120 Ca -0.07 -2.19 -0.44 0.00 -0.04 0.00 0.00 63.50 60.77 4rub n PRO 120 Cb 0.56 -1.29 -0.03 0.00 -0.04 0.00 0.00 33.50 32.70 4rub n PRO 120 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 4rub n GLU 121 N -3.72 2.65 -1.82 0.54 1.02 -1.26 -3.60 120.64 114.45 4rub n GLU 121 Ca 0.17 0.97 0.00 0.00 -0.02 0.00 0.00 57.16 58.28 4rub n GLU 121 Cb 0.59 -2.87 0.00 0.00 -0.02 0.00 0.00 31.44 29.14 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 4.33 0.66 0.00 0.62 0.00 -1.26 -5.17 105.19 104.37 4rub n GLY 122 Ca 0.20 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.75 4rub n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60