#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 8ruc s GLN 2 N 0.00 3.00 -0.21 2.12 -0.21 -1.26 -5.09 119.66 118.02 8ruc s GLN 2 Ca 0.00 -0.51 -0.13 0.00 0.02 0.00 0.00 55.36 54.73 8ruc s GLN 2 Cb 0.00 -2.82 -0.04 0.00 1.00 0.00 0.00 33.01 31.15 8ruc s GLN 2 CO 0.00 0.64 0.29 0.08 -2.12 0.00 0.00 175.29 174.18 8ruc s VAL 3 N -1.16 5.28 0.05 1.09 1.01 -1.26 -5.04 120.40 120.37 8ruc s VAL 3 Ca 0.22 0.48 -0.30 0.00 0.00 0.00 0.00 61.98 62.38 8ruc s VAL 3 Cb -0.12 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 8ruc s VAL 3 CO 0.13 0.32 1.62 0.86 0.00 0.00 0.00 175.10 178.02 8ruc s TRP 4 N 1.03 2.43 0.93 5.22 -0.11 -1.26 -4.95 118.94 122.23 8ruc s TRP 4 Ca 0.14 0.37 -0.11 0.00 1.22 0.00 0.00 56.10 57.72 8ruc s TRP 4 Cb -0.14 -3.92 0.10 0.00 -1.50 0.00 0.00 33.47 28.01 8ruc s TRP 4 CO 0.06 -3.68 0.81 -0.35 -4.62 0.00 0.00 176.95 169.17 8ruc n PRO 5 N 5.73 -0.39 -0.05 5.86 -0.04 -1.26 -5.00 135.00 139.85 8ruc n PRO 5 Ca 0.16 -0.06 -0.08 0.00 -0.04 0.00 0.00 63.50 63.48 8ruc n PRO 5 Cb 0.41 -2.14 -0.04 0.00 -0.04 0.00 0.00 33.50 31.68 8ruc n PRO 5 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 8ruc n ILE 6 N -3.96 0.58 -3.13 0.52 -0.00 -1.26 -4.94 119.36 107.16 8ruc n ILE 6 Ca 0.10 -0.21 -0.37 0.00 -0.00 0.00 0.00 62.75 62.27 8ruc n ILE 6 Cb 0.53 -0.99 -0.06 0.00 -0.00 0.00 0.00 39.64 39.11 8ruc n ILE 6 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 8ruc s LEU 7 N -5.76 4.44 -1.47 1.39 1.43 -1.26 -4.27 118.68 113.17 8ruc s LEU 7 Ca -0.14 1.41 -0.05 0.00 -1.03 0.00 0.00 54.13 54.32 8ruc s LEU 7 Cb 0.04 -3.36 0.04 0.00 0.03 0.00 0.00 46.19 42.94 8ruc s LEU 7 CO 0.22 0.13 0.58 0.59 0.23 0.00 0.00 176.35 178.10 8ruc n ASN 8 N 1.12 -1.48 -1.58 2.29 4.13 -1.26 -4.90 115.26 113.58 8ruc n ASN 8 Ca -0.05 -0.96 -0.12 0.00 1.68 0.00 0.00 54.58 55.13 8ruc n ASN 8 Cb 0.51 -3.19 0.08 0.00 -1.54 0.00 0.00 39.78 35.64 8ruc n ASN 8 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 8ruc n LEU 9 N -4.42 3.84 -4.76 3.41 7.99 -1.26 -5.06 117.00 116.73 8ruc n LEU 9 Ca -0.20 -4.26 -0.38 0.00 -0.01 0.00 0.00 56.01 51.16 8ruc n LEU 9 Cb 0.63 -0.34 0.01 0.00 -0.11 0.00 0.00 43.42 43.61 8ruc n LEU 9 CO 0.77 1.75 0.92 -0.54 -1.51 0.00 0.00 177.39 178.77 8ruc s LYS 10 N -3.36 3.62 0.42 3.23 -0.14 -1.26 -5.03 119.74 117.21 8ruc s LYS 10 Ca 0.45 2.03 0.07 0.00 -1.36 0.00 0.00 55.97 57.15 8ruc s LYS 10 Cb 0.39 -2.45 -0.06 0.00 -1.68 0.00 0.00 37.83 34.02 8ruc s LYS 10 CO -0.01 -0.74 0.09 0.15 -0.76 0.00 0.00 175.35 174.08 8ruc s LYS 11 N -2.64 2.09 -0.25 1.68 -0.14 -1.26 -5.08 119.74 114.14 8ruc s LYS 11 Ca 0.64 -2.00 0.18 0.00 -1.36 0.00 0.00 55.97 53.44 8ruc s LYS 11 Cb -0.35 -1.80 0.49 0.00 -1.68 0.00 0.00 37.83 34.49 8ruc s LYS 11 CO 0.43 -0.10 1.14 0.66 -0.76 0.00 0.00 175.35 176.72 8ruc n TYR 12 N -1.11 1.57 -4.76 3.18 4.02 -1.26 -5.09 117.16 113.71 8ruc n TYR 12 Ca -0.04 -2.02 0.00 0.00 -0.01 0.00 0.00 57.90 55.84 8ruc n TYR 12 Cb 0.66 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 8ruc n TYR 12 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 8ruc n GLU 13 N -0.57 0.00 -1.62 -0.72 -0.58 -1.26 -4.47 120.64 111.42 8ruc n GLU 13 Ca 0.18 0.00 -0.61 0.00 -0.42 0.00 0.00 57.16 56.31 8ruc n GLU 13 Cb 0.87 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.66 8ruc n GLU 13 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 8ruc n THR 14 N 0.00 0.03 0.00 2.62 -1.04 -1.26 -1.47 114.28 113.16 8ruc n THR 14 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 8ruc n THR 14 Cb 0.00 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 8ruc n THR 14 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 8ruc n LEU 15 N 2.84 0.00 0.00 -4.42 4.77 -1.26 -4.65 117.00 114.28 8ruc n LEU 15 Ca 0.24 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.27 8ruc n LEU 15 Cb 0.05 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.37 8ruc n LEU 15 CO 0.73 0.00 0.63 -1.54 -1.33 0.00 0.00 177.39 175.88 8ruc n SER 16 N 0.00 0.00 -1.09 -1.43 3.41 -0.54 -1.93 113.62 112.04 8ruc n SER 16 Ca 0.00 0.34 0.11 0.00 -0.26 0.00 0.00 58.87 59.06 8ruc n SER 16 Cb 0.00 -0.40 0.19 0.00 -0.26 0.00 0.00 64.21 63.74 8ruc n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 8ruc n TYR 17 N -1.40 0.42 -3.64 7.33 4.02 -1.26 -4.83 117.16 117.79 8ruc n TYR 17 Ca 0.03 -0.22 -0.20 0.00 -0.01 0.00 0.00 57.90 57.50 8ruc n TYR 17 Cb 0.10 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.40 8ruc n TYR 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 8ruc s LEU 18 N -1.50 3.78 0.74 7.72 1.43 -0.81 -5.08 118.68 124.96 8ruc s LEU 18 Ca 0.36 -0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 52.96 8ruc s LEU 18 Cb 0.21 -2.48 0.05 0.00 0.03 0.00 0.00 46.19 44.00 8ruc s LEU 18 CO 0.30 -0.39 1.23 -2.84 0.23 0.00 0.00 176.35 174.88 8ruc s PRO 19 N -4.08 2.01 0.22 1.29 0.02 -1.26 -4.87 135.00 128.33 8ruc s PRO 19 Ca 0.43 1.84 -0.30 0.00 0.02 0.00 0.00 61.00 62.98 8ruc s PRO 19 Cb -0.08 -1.81 -0.15 0.00 0.02 0.00 0.00 34.50 32.48 8ruc s PRO 19 CO 0.29 -1.95 1.04 -2.30 -0.33 0.00 0.00 177.00 173.74 8ruc n PRO 20 N -2.78 1.11 -2.28 5.54 -0.02 -1.26 -4.89 135.00 130.44 8ruc n PRO 20 Ca 0.14 0.39 -0.41 0.00 -2.02 0.00 0.00 63.50 61.61 8ruc n PRO 20 Cb 0.50 -1.79 -0.03 0.00 -0.02 0.00 0.00 33.50 32.16 8ruc n PRO 20 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 8ruc s LEU 21 N 0.79 4.45 0.70 2.45 1.43 -1.26 -5.02 118.68 122.23 8ruc s LEU 21 Ca 0.66 2.41 -0.06 0.00 -1.03 0.00 0.00 54.13 56.12 8ruc s LEU 21 Cb -0.80 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 41.86 8ruc s LEU 21 CO 0.56 -0.42 1.00 0.42 0.23 0.00 0.00 176.35 178.15 8ruc s THR 22 N -0.51 2.29 0.20 5.49 -4.23 -1.26 -4.81 115.64 112.82 8ruc s THR 22 Ca 0.51 -0.30 -0.10 0.00 -1.18 0.00 0.00 61.69 60.62 8ruc s THR 22 Cb -0.36 -2.99 0.14 0.00 1.34 0.00 0.00 72.50 70.63 8ruc s THR 22 CO 0.42 0.00 1.73 0.74 -0.54 0.00 0.00 174.62 176.97 8ruc h THR 23 N -0.57 0.73 -0.56 3.99 2.02 -1.99 0.10 112.91 116.63 8ruc h THR 23 Ca -0.44 -0.11 -0.09 0.00 0.77 0.00 0.00 66.41 66.54 8ruc h THR 23 Cb 1.31 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 8ruc h THR 23 CO 0.59 0.06 -0.01 0.44 0.37 0.00 0.00 175.52 176.96 8ruc h ASP 24 N 0.33 0.95 -0.48 4.18 3.32 -1.99 -2.12 116.42 120.60 8ruc h ASP 24 Ca 0.29 -0.26 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 8ruc h ASP 24 Cb 0.39 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 8ruc h ASP 24 CO -0.33 1.01 -0.20 1.56 -1.72 0.00 0.00 179.24 179.56 8ruc h GLN 25 N 0.89 1.00 -0.35 3.56 4.20 -1.70 -2.10 115.11 120.60 8ruc h GLN 25 Ca 0.16 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 8ruc h GLN 25 Cb 0.54 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 8ruc h GLN 25 CO 0.03 1.09 0.17 1.25 -0.67 0.00 0.00 178.83 180.70 8ruc h LEU 26 N 0.87 0.46 -1.37 1.46 5.85 -0.68 -2.46 115.31 119.44 8ruc h LEU 26 Ca 0.12 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.71 8ruc h LEU 26 Cb 0.78 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 8ruc h LEU 26 CO 0.06 0.46 0.38 0.00 -0.34 0.00 0.00 178.44 179.00 8ruc h ALA 27 N 1.02 1.53 -0.27 1.25 0.00 -1.25 -1.81 119.26 119.73 8ruc h ALA 27 Ca 0.12 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 8ruc h ALA 27 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 8ruc h ALA 27 CO -0.01 0.42 -0.18 0.00 0.00 0.00 0.00 179.25 179.47 8ruc h ARG 28 N 0.83 0.49 -0.46 0.00 3.08 -0.94 -0.02 114.38 117.36 8ruc h ARG 28 Ca 0.22 -0.16 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 8ruc h ARG 28 Cb -0.06 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 8ruc h ARG 28 CO -0.04 0.66 -0.17 1.96 -1.07 0.00 0.00 179.97 181.30 8ruc h GLN 29 N 0.44 0.89 -0.39 0.04 1.08 -0.95 -1.60 115.11 114.63 8ruc h GLN 29 Ca 0.07 -0.34 -0.11 0.00 -1.45 0.00 0.00 58.65 56.82 8ruc h GLN 29 Cb 0.58 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 8ruc h GLN 29 CO 0.04 0.99 -0.19 0.28 -0.95 0.00 0.00 178.83 179.00 8ruc h VAL 30 N 0.78 1.27 -0.37 -0.54 2.07 -0.93 -2.43 116.25 116.09 8ruc h VAL 30 Ca 0.11 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 8ruc h VAL 30 Cb 0.71 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 8ruc h VAL 30 CO 0.05 0.43 0.19 0.44 0.02 0.00 0.00 177.57 178.70 8ruc h ASP 31 N 0.66 0.48 -0.28 0.57 3.32 -0.72 -2.47 116.42 117.98 8ruc h ASP 31 Ca 0.10 -0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.10 8ruc h ASP 31 Cb 0.68 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.05 8ruc h ASP 31 CO 0.05 0.45 -0.09 0.22 -1.72 0.00 0.00 179.24 178.15 8ruc h TYR 32 N 0.47 -0.20 -0.53 4.55 3.20 -0.97 0.23 116.97 123.72 8ruc h TYR 32 Ca 0.13 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 8ruc h TYR 32 Cb 0.09 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 8ruc h TYR 32 CO -0.02 -0.15 0.10 1.37 -1.64 0.00 0.00 178.16 177.82 8ruc h LEU 33 N -0.03 0.77 -0.36 2.82 8.10 -1.32 -2.59 115.31 122.69 8ruc h LEU 33 Ca 0.14 -0.15 -0.18 0.00 0.11 0.00 0.00 57.88 57.80 8ruc h LEU 33 Cb 0.24 -0.20 -0.00 0.00 -0.44 0.00 0.00 40.66 40.26 8ruc h LEU 33 CO -0.30 0.77 -0.58 -0.07 -4.11 0.00 0.00 178.44 174.15 8ruc h LEU 34 N 0.79 0.83 -2.24 0.17 3.38 -0.95 -2.30 115.31 114.98 8ruc h LEU 34 Ca 0.17 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 8ruc h LEU 34 Cb 0.33 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 8ruc h LEU 34 CO 0.00 1.23 -0.05 0.78 0.09 0.00 0.00 178.44 180.49 8ruc h ASN 35 N 0.56 0.00 -0.42 -0.43 2.35 -0.26 0.12 115.58 117.49 8ruc h ASN 35 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 8ruc h ASN 35 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.54 8ruc h ASN 35 CO 0.12 0.05 0.00 0.59 -1.65 0.00 0.00 177.43 176.54 8ruc n ASN 36 N -3.77 2.47 -2.76 5.81 3.02 -1.00 -4.94 115.26 114.10 8ruc n ASN 36 Ca -0.03 -1.95 -0.22 0.00 -0.03 0.00 0.00 54.58 52.36 8ruc n ASN 36 Cb 0.15 -0.28 0.01 0.00 -0.61 0.00 0.00 39.78 39.05 8ruc n ASN 36 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 8ruc n LYS 37 N 0.85 -3.47 -3.08 3.52 5.02 0.41 -5.00 118.16 116.41 8ruc n LYS 37 Ca 0.16 0.94 -0.28 0.00 -2.02 0.00 0.00 58.31 57.11 8ruc n LYS 37 Cb 0.41 -5.71 -0.02 0.00 -0.02 0.00 0.00 35.03 29.68 8ruc n LYS 37 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 8ruc s TRP 38 N -3.10 3.50 -0.31 2.13 0.51 -0.88 -4.93 118.94 115.86 8ruc s TRP 38 Ca 0.17 0.73 -0.18 0.00 -2.12 0.00 0.00 56.10 54.70 8ruc s TRP 38 Cb -0.08 -2.19 -0.01 0.00 -0.81 0.00 0.00 33.47 30.38 8ruc s TRP 38 CO 0.21 0.00 0.54 0.08 -0.51 0.00 0.00 176.95 177.28 8ruc s VAL 39 N -2.33 5.01 0.45 4.03 1.01 0.05 -4.63 120.40 124.00 8ruc s VAL 39 Ca 0.46 0.67 -0.22 0.00 0.00 0.00 0.00 61.98 62.88 8ruc s VAL 39 Cb -0.10 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 8ruc s VAL 39 CO 0.34 -0.08 1.09 -2.16 0.00 0.00 0.00 175.10 174.29 8ruc s PRO 40 N 2.42 3.86 -0.18 2.72 0.04 -1.26 -0.30 135.00 142.30 8ruc s PRO 40 Ca 0.21 1.58 -0.24 0.00 0.04 0.00 0.00 61.00 62.59 8ruc s PRO 40 Cb -0.15 -2.34 0.06 0.00 0.04 0.00 0.00 34.50 32.11 8ruc s PRO 40 CO 0.11 -0.42 0.63 0.00 0.04 0.00 0.00 177.00 177.36 8ruc s LEU 42 N -0.14 3.42 0.04 0.00 1.02 -1.26 -0.39 118.68 121.37 8ruc s LEU 42 Ca -0.04 0.05 0.04 0.00 0.02 0.00 0.00 54.13 54.20 8ruc s LEU 42 Cb -0.03 -1.82 -0.02 0.00 0.02 0.00 0.00 46.19 44.33 8ruc s LEU 42 CO 0.03 0.35 -0.11 -1.61 0.02 0.00 0.00 176.35 175.03 8ruc s GLU 43 N -1.03 0.75 0.06 1.70 2.02 -0.47 -0.88 118.70 120.85 8ruc s GLU 43 Ca 0.14 -0.70 0.01 0.00 0.02 0.00 0.00 54.97 54.45 8ruc s GLU 43 Cb -0.11 -0.70 -0.03 0.00 0.10 0.00 0.00 34.13 33.39 8ruc s GLU 43 CO 0.04 0.17 -0.06 -0.59 0.02 0.00 0.00 175.26 174.84 8ruc s PHE 44 N -0.92 0.67 -0.13 1.61 -0.71 -0.07 -0.80 117.98 117.62 8ruc s PHE 44 Ca -0.02 -0.73 -0.10 0.00 -1.04 0.00 0.00 56.93 55.05 8ruc s PHE 44 Cb -0.08 -0.41 0.04 0.00 -1.21 0.00 0.00 43.02 41.37 8ruc s PHE 44 CO 0.01 -0.16 0.34 -2.00 -1.34 0.00 0.00 175.22 172.06 8ruc s GLU 45 N -2.67 0.36 -0.13 1.99 2.56 -0.50 -1.28 118.70 119.03 8ruc s GLU 45 Ca -0.01 0.57 -0.02 0.00 0.00 0.00 0.00 54.97 55.51 8ruc s GLU 45 Cb -0.02 0.07 -0.07 0.00 2.00 0.00 0.00 34.13 36.11 8ruc s GLU 45 CO -0.03 -0.10 -0.13 0.25 -0.56 0.00 0.00 175.26 174.69 8ruc n THR 46 N 3.54 0.71 0.05 -1.70 -2.24 -1.26 -0.64 114.28 112.74 8ruc n THR 46 Ca -0.18 -0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.25 8ruc n THR 46 Cb 0.56 -1.21 -0.13 0.00 -2.10 0.00 0.00 70.33 67.45 8ruc n THR 46 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 8ruc h ASP 47 N -0.17 0.17 -2.69 3.42 5.19 -1.97 -3.43 116.42 116.93 8ruc h ASP 47 Ca -0.30 -0.21 -0.59 0.00 -0.62 0.00 0.00 57.03 55.31 8ruc h ASP 47 Cb 1.38 -0.05 -0.39 0.00 0.18 0.00 0.00 39.33 40.44 8ruc h ASP 47 CO -0.10 1.17 -0.85 -1.00 -3.12 0.00 0.00 179.24 175.34 8ruc s HIS 48 N -2.66 1.00 -0.51 4.55 3.76 -1.26 -4.97 115.29 115.21 8ruc s HIS 48 Ca -0.04 -1.88 0.25 0.00 -0.15 0.00 0.00 55.06 53.25 8ruc s HIS 48 Cb 0.08 -1.08 0.95 0.00 1.11 0.00 0.00 32.58 33.65 8ruc s HIS 48 CO 0.84 -0.82 1.74 0.78 -0.85 0.00 0.00 174.74 176.43 8ruc h GLY 49 N 6.73 0.00 -4.13 -2.22 0.00 -1.88 -3.45 103.07 98.11 8ruc h GLY 49 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.06 8ruc h GLY 49 CO 0.32 0.00 -0.75 -1.36 0.00 0.00 0.00 176.54 174.75 8ruc s PHE 50 N -3.28 1.10 0.58 5.60 0.08 -1.26 -5.11 117.98 115.69 8ruc s PHE 50 Ca 0.06 -0.55 -0.20 0.00 0.12 0.00 0.00 56.93 56.36 8ruc s PHE 50 Cb 0.10 -0.61 -0.04 0.00 -0.57 0.00 0.00 43.02 41.90 8ruc s PHE 50 CO 0.46 0.03 1.25 0.28 -0.10 0.00 0.00 175.22 177.13 8ruc n VAL 51 N 0.96 4.03 -3.94 -0.44 0.31 -1.26 -4.80 118.33 113.19 8ruc n VAL 51 Ca -0.19 -0.50 -0.10 0.00 -0.01 0.00 0.00 64.34 63.54 8ruc n VAL 51 Cb 0.56 -1.50 -0.02 0.00 -0.91 0.00 0.00 33.84 31.97 8ruc n VAL 51 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 8ruc s TYR 52 N -1.35 0.35 -0.43 3.52 1.13 -0.65 -5.00 117.35 114.91 8ruc s TYR 52 Ca 0.75 -0.79 0.02 0.00 -1.41 0.00 0.00 57.07 55.64 8ruc s TYR 52 Cb -0.42 0.41 0.14 0.00 -1.10 0.00 0.00 41.96 41.00 8ruc s TYR 52 CO 0.47 -1.24 0.25 1.03 -2.51 0.00 0.00 175.55 173.54 8ruc s ARG 53 N -3.28 1.16 -0.23 -3.49 0.52 -1.26 -0.44 118.95 111.93 8ruc s ARG 53 Ca 0.20 -1.92 -0.06 0.00 -0.52 0.00 0.00 55.73 53.43 8ruc s ARG 53 Cb -0.03 -2.11 -0.18 0.00 0.52 0.00 0.00 34.95 33.15 8ruc s ARG 53 CO 0.12 -1.19 -0.10 -1.91 0.02 0.00 0.00 175.30 172.24 8ruc n GLU 54 N 3.55 0.65 0.09 3.54 2.13 -1.26 -4.68 120.64 124.66 8ruc n GLU 54 Ca 0.11 0.24 0.09 0.00 0.66 0.00 0.00 57.16 58.27 8ruc n GLU 54 Cb 0.36 -1.57 -0.02 0.00 0.27 0.00 0.00 31.44 30.48 8ruc n GLU 54 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 8ruc n HIS 55 N -3.66 0.96 -3.49 4.31 8.25 -1.26 -4.98 115.22 115.35 8ruc n HIS 55 Ca -0.44 0.29 -0.13 0.00 -0.26 0.00 0.00 57.72 57.17 8ruc n HIS 55 Cb 0.95 -0.98 -0.04 0.00 1.12 0.00 0.00 29.99 31.04 8ruc n HIS 55 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 8ruc s HIS 56 N -3.29 -0.53 -0.07 4.41 2.46 -1.26 -5.05 115.29 111.96 8ruc s HIS 56 Ca -0.01 0.65 0.10 0.00 0.47 0.00 0.00 55.06 56.27 8ruc s HIS 56 Cb 0.09 0.49 0.15 0.00 -0.13 0.00 0.00 32.58 33.18 8ruc s HIS 56 CO 0.80 -0.64 1.04 0.09 -2.47 0.00 0.00 174.74 173.56 8ruc n ASN 57 N 0.27 1.54 -4.83 9.88 3.02 -1.26 -4.78 115.26 119.09 8ruc n ASN 57 Ca -0.15 -2.51 -0.30 0.00 -0.03 0.00 0.00 54.58 51.58 8ruc n ASN 57 Cb 0.61 -0.28 0.06 0.00 -0.61 0.00 0.00 39.78 39.56 8ruc n ASN 57 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 8ruc s SER 58 N -1.93 5.13 -0.02 6.41 1.04 -1.26 -4.93 113.70 118.15 8ruc s SER 58 Ca 0.17 1.36 -0.36 0.00 0.48 0.00 0.00 55.95 57.60 8ruc s SER 58 Cb 0.15 -2.18 -0.15 0.00 0.10 0.00 0.00 66.02 63.94 8ruc s SER 58 CO 0.02 -1.57 1.59 -2.65 0.98 0.00 0.00 173.24 171.61 8ruc n PRO 59 N -3.18 1.58 -1.00 4.02 -0.02 -1.26 -1.81 135.00 133.33 8ruc n PRO 59 Ca 0.07 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 8ruc n PRO 59 Cb 0.55 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 8ruc n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 8ruc n GLY 60 N 3.49 0.90 3.70 -1.23 0.00 -1.26 -5.02 105.19 105.76 8ruc n GLY 60 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 8ruc n GLY 60 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 8ruc s TYR 61 N -3.60 3.37 -0.06 1.61 6.14 -0.75 -5.07 117.35 119.00 8ruc s TYR 61 Ca 0.00 0.30 -0.10 0.00 0.64 0.00 0.00 57.07 57.91 8ruc s TYR 61 Cb 0.00 -2.22 0.02 0.00 0.42 0.00 0.00 41.96 40.18 8ruc s TYR 61 CO 0.00 0.19 0.25 0.71 0.64 0.00 0.00 175.55 177.34 8ruc s TYR 62 N 0.68 -0.20 0.24 4.97 2.02 -1.26 -4.71 117.35 119.08 8ruc s TYR 62 Ca 0.08 0.44 -0.00 0.00 -0.37 0.00 0.00 57.07 57.22 8ruc s TYR 62 Cb -0.12 0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.47 8ruc s TYR 62 CO 0.01 -0.23 0.43 -0.51 -1.57 0.00 0.00 175.55 173.68 8ruc s ASP 63 N -0.52 6.37 0.00 2.29 1.01 0.42 -4.48 116.67 121.77 8ruc s ASP 63 Ca -0.06 0.41 0.00 0.00 0.71 0.00 0.00 52.55 53.61 8ruc s ASP 63 Cb -0.04 -2.01 0.00 0.00 1.01 0.00 0.00 42.92 41.88 8ruc s ASP 63 CO 0.02 -0.10 0.00 0.61 0.21 0.00 0.00 175.17 175.90 8ruc n GLY 64 N -0.93 0.72 0.13 0.21 0.00 -1.26 -1.64 105.19 102.41 8ruc n GLY 64 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 8ruc n GLY 64 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 8ruc h ARG 65 N 4.12 0.37 -6.10 1.61 3.08 -1.93 -3.41 114.38 112.12 8ruc h ARG 65 Ca 0.00 -0.56 -0.56 0.00 0.07 0.00 0.00 59.98 58.94 8ruc h ARG 65 Cb 0.00 0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 8ruc h ARG 65 CO 0.00 1.24 0.18 0.71 -1.07 0.00 0.00 179.97 181.03 8ruc s TYR 66 N -2.83 3.58 0.40 3.04 2.02 -1.26 -5.05 117.35 117.24 8ruc s TYR 66 Ca -0.06 1.35 0.02 0.00 -0.37 0.00 0.00 57.07 58.01 8ruc s TYR 66 Cb 0.07 -2.90 0.02 0.00 -0.40 0.00 0.00 41.96 38.76 8ruc s TYR 66 CO 0.89 0.03 0.20 0.91 -1.57 0.00 0.00 175.55 176.01 8ruc n TRP 67 N 3.98 -0.23 -4.07 2.71 7.02 -1.26 -5.08 117.44 120.51 8ruc n TRP 67 Ca 0.01 -1.77 -0.36 0.00 -1.02 0.00 0.00 57.50 54.36 8ruc n TRP 67 Cb 0.51 -0.30 -0.07 0.00 -2.42 0.00 0.00 31.31 29.02 8ruc n TRP 67 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 8ruc s THR 68 N -2.14 5.05 0.13 -0.99 -1.32 -0.40 -4.89 115.64 111.08 8ruc s THR 68 Ca 0.15 0.04 -0.30 0.00 -1.21 0.00 0.00 61.69 60.36 8ruc s THR 68 Cb -0.01 -3.18 -0.07 0.00 -1.51 0.00 0.00 72.50 67.73 8ruc s THR 68 CO 0.10 0.61 1.20 -0.32 -2.21 0.00 0.00 174.62 173.99 8ruc s MET 69 N -0.95 4.47 -0.44 7.08 1.75 -1.26 -0.90 119.30 129.05 8ruc s MET 69 Ca 0.14 1.82 -0.23 0.00 -1.25 0.00 0.00 55.69 56.18 8ruc s MET 69 Cb -0.12 -3.29 0.02 0.00 2.84 0.00 0.00 34.83 34.29 8ruc s MET 69 CO 0.03 -0.16 0.77 -0.46 -0.65 0.00 0.00 175.02 174.55 8ruc s TRP 70 N 0.45 3.01 0.00 4.11 -0.11 -0.06 -4.89 118.94 121.45 8ruc s TRP 70 Ca 0.55 0.16 0.00 0.00 1.22 0.00 0.00 56.10 58.04 8ruc s TRP 70 Cb -0.31 -3.60 0.00 0.00 -1.50 0.00 0.00 33.47 28.06 8ruc s TRP 70 CO 0.33 -0.95 0.00 1.63 -4.62 0.00 0.00 176.95 173.34 8ruc n LYS 71 N 6.64 0.00 -4.14 5.86 5.02 -1.26 -4.54 118.16 125.74 8ruc n LYS 71 Ca 0.02 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.22 8ruc n LYS 71 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.39 8ruc n LYS 71 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 8ruc s LEU 72 N 0.00 2.01 0.44 -0.35 1.43 -1.26 -5.11 118.68 115.83 8ruc s LEU 72 Ca 0.00 -1.14 -0.26 0.00 -1.03 0.00 0.00 54.13 51.70 8ruc s LEU 72 Cb 0.00 0.24 -0.08 0.00 0.03 0.00 0.00 46.19 46.38 8ruc s LEU 72 CO 0.00 -0.68 1.39 -2.84 0.23 0.00 0.00 176.35 174.45 8ruc s PRO 73 N -4.00 3.78 -1.37 1.29 0.02 -1.26 -4.82 135.00 128.63 8ruc s PRO 73 Ca 0.19 2.33 -0.13 0.00 0.02 0.00 0.00 61.00 63.42 8ruc s PRO 73 Cb 0.08 -2.69 0.09 0.00 0.02 0.00 0.00 34.50 32.00 8ruc s PRO 73 CO -0.02 -0.71 2.03 -1.33 -0.33 0.00 0.00 177.00 176.64 8ruc n MET 74 N -0.09 3.16 -1.94 5.54 2.81 -0.05 -4.97 117.12 121.58 8ruc n MET 74 Ca 0.05 -3.03 -0.42 0.00 -1.81 0.00 0.00 57.70 52.49 8ruc n MET 74 Cb 0.42 -3.18 -0.02 0.00 -0.71 0.00 0.00 33.22 29.73 8ruc n MET 74 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 8ruc s PHE 75 N 2.32 2.98 0.00 2.03 0.08 -1.26 -2.25 117.98 121.88 8ruc s PHE 75 Ca 0.45 0.84 0.00 0.00 0.12 0.00 0.00 56.93 58.34 8ruc s PHE 75 Cb 0.11 -3.91 0.00 0.00 -0.57 0.00 0.00 43.02 38.65 8ruc s PHE 75 CO -0.04 -3.12 0.00 0.41 -0.10 0.00 0.00 175.22 172.37 8ruc n GLY 76 N 2.73 1.81 3.74 4.36 0.00 -1.26 -5.01 105.19 111.55 8ruc n GLY 76 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 8ruc n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8ruc n THR 78 N 2.62 0.00 -3.80 0.00 -2.24 -1.26 -4.99 114.28 104.60 8ruc n THR 78 Ca 0.08 -0.12 -0.36 0.00 -2.27 0.00 0.00 64.05 61.37 8ruc n THR 78 Cb 0.40 1.51 -0.13 0.00 -2.10 0.00 0.00 70.33 70.01 8ruc n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 8ruc s ASP 79 N -0.08 4.92 0.49 3.42 2.15 -1.26 -4.98 116.67 121.32 8ruc s ASP 79 Ca 0.00 -0.59 0.16 0.00 0.43 0.00 0.00 52.55 52.55 8ruc s ASP 79 Cb 0.00 -1.84 1.18 0.00 -0.30 0.00 0.00 42.92 41.96 8ruc s ASP 79 CO 0.00 -0.13 2.07 -0.65 -0.17 0.00 0.00 175.17 176.29 8ruc h PRO 80 N 8.19 0.17 -0.13 4.34 0.11 -1.96 -0.71 132.00 142.01 8ruc h PRO 80 Ca -0.34 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 8ruc h PRO 80 Cb 1.14 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 8ruc h PRO 80 CO 0.60 0.11 -0.06 0.00 -0.21 0.00 0.00 178.00 178.44 8ruc h ALA 81 N 1.85 1.67 -0.59 -0.75 0.00 -1.99 -1.62 119.26 117.83 8ruc h ALA 81 Ca 0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 8ruc h ALA 81 Cb 0.28 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 8ruc h ALA 81 CO -0.02 0.25 0.23 1.96 0.00 0.00 0.00 179.25 181.67 8ruc h GLN 82 N 0.19 0.89 -0.06 0.00 4.20 -1.55 -0.34 115.11 118.44 8ruc h GLN 82 Ca 0.04 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 8ruc h GLN 82 Cb 0.23 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 8ruc h GLN 82 CO 0.01 0.77 -0.03 0.28 -0.67 0.00 0.00 178.83 179.19 8ruc h VAL 83 N 0.82 1.32 0.00 -0.54 2.07 -1.43 -2.65 116.25 115.84 8ruc h VAL 83 Ca 0.20 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 8ruc h VAL 83 Cb 0.22 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 8ruc h VAL 83 CO -0.01 0.28 -0.17 -0.07 0.02 0.00 0.00 177.57 177.62 8ruc h LEU 84 N -0.25 0.00 -0.34 2.57 3.38 -1.26 -0.98 115.31 118.44 8ruc h LEU 84 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 8ruc h LEU 84 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 8ruc h LEU 84 CO 0.01 0.17 -0.01 -1.13 0.09 0.00 0.00 178.44 177.58 8ruc h ASN 85 N 0.00 0.59 -0.27 -0.43 -0.73 -1.00 -1.65 115.58 112.10 8ruc h ASN 85 Ca -0.00 -0.31 -0.06 0.00 1.87 0.00 0.00 56.30 57.80 8ruc h ASN 85 Cb 0.31 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.72 8ruc h ASN 85 CO 0.02 0.76 -0.01 -0.33 -0.37 0.00 0.00 177.43 177.51 8ruc h GLU 86 N 0.41 0.60 -0.36 6.67 4.39 -1.01 -1.05 114.58 124.23 8ruc h GLU 86 Ca 0.10 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.66 8ruc h GLU 86 Cb 0.46 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 8ruc h GLU 86 CO 0.02 0.63 0.24 1.25 -1.16 0.00 0.00 179.01 179.98 8ruc h LEU 87 N 0.57 0.41 -0.96 1.33 5.85 -0.78 0.17 115.31 121.90 8ruc h LEU 87 Ca 0.12 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 8ruc h LEU 87 Cb 0.37 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 8ruc h LEU 87 CO 0.01 0.30 0.15 -0.33 -0.34 0.00 0.00 178.44 178.23 8ruc h GLU 88 N 0.49 0.90 -0.37 1.25 4.39 -0.69 0.51 114.58 121.06 8ruc h GLU 88 Ca 0.13 -0.19 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 8ruc h GLU 88 Cb -0.06 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 8ruc h GLU 88 CO -0.03 0.81 -0.21 1.49 -1.16 0.00 0.00 179.01 179.91 8ruc h GLU 89 N 0.87 0.80 -0.53 2.33 4.81 -0.70 -1.74 114.58 120.41 8ruc h GLU 89 Ca 0.19 -0.36 -0.05 0.00 -0.13 0.00 0.00 59.36 59.01 8ruc h GLU 89 Cb 0.31 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 8ruc h GLU 89 CO -0.00 0.99 0.13 0.00 -0.73 0.00 0.00 179.01 179.39 8ruc h LYS 91 N 0.75 0.93 -0.07 0.00 1.57 -0.74 0.13 116.57 119.14 8ruc h LYS 91 Ca 0.17 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.74 8ruc h LYS 91 Cb 0.34 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 8ruc h LYS 91 CO 0.00 0.62 -0.62 1.57 -0.57 0.00 0.00 179.45 180.45 8ruc h LYS 92 N 0.96 0.27 0.00 3.15 5.09 -1.16 -2.41 116.57 122.48 8ruc h LYS 92 Ca 0.33 -0.19 -0.17 0.00 0.09 0.00 0.00 60.65 60.71 8ruc h LYS 92 Cb 0.06 0.03 -0.02 0.00 0.10 0.00 0.00 32.23 32.40 8ruc h LYS 92 CO -0.13 0.80 -0.83 1.49 -2.09 0.00 0.00 179.45 178.69 8ruc h GLU 93 N 0.20 0.00 -2.06 0.07 4.81 -1.05 -3.39 114.58 113.16 8ruc h GLU 93 Ca -0.01 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.66 8ruc h GLU 93 Cb 1.14 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 30.12 8ruc h GLU 93 CO 0.10 0.78 -0.96 0.66 -0.73 0.00 0.00 179.01 178.86 8ruc n TYR 94 N -3.29 0.94 0.29 0.92 4.01 0.41 -4.96 117.16 115.49 8ruc n TYR 94 Ca 0.00 -3.76 0.16 0.00 -0.16 0.00 0.00 57.90 54.15 8ruc n TYR 94 Cb 0.86 -0.42 0.86 0.00 -0.31 0.00 0.00 39.34 40.34 8ruc n TYR 94 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 8ruc h PRO 95 N 3.93 0.00 -0.70 -0.72 0.13 -1.63 -2.74 132.00 130.27 8ruc h PRO 95 Ca 0.11 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.02 8ruc h PRO 95 Cb 0.81 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.81 8ruc h PRO 95 CO 0.58 0.06 0.26 0.09 -0.23 0.00 0.00 178.00 178.75 8ruc n ASN 96 N -3.40 4.49 -4.52 1.44 3.02 -1.26 -4.47 115.26 110.55 8ruc n ASN 96 Ca -0.02 -3.29 -0.27 0.00 -0.03 0.00 0.00 54.58 50.97 8ruc n ASN 96 Cb 0.20 -0.73 -0.10 0.00 -0.61 0.00 0.00 39.78 38.53 8ruc n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 8ruc s ALA 97 N -3.04 2.80 0.04 5.41 0.00 -1.03 -4.74 121.76 121.20 8ruc s ALA 97 Ca 0.54 -1.49 -0.24 0.00 0.00 0.00 0.00 51.96 50.77 8ruc s ALA 97 Cb 0.43 -0.63 -0.06 0.00 0.00 0.00 0.00 23.12 22.87 8ruc s ALA 97 CO 0.12 0.48 0.72 -0.06 0.00 0.00 0.00 175.76 177.02 8ruc s PHE 98 N -1.59 3.74 -0.07 0.00 0.08 0.18 -3.63 117.98 116.70 8ruc s PHE 98 Ca 0.23 1.41 0.02 0.00 0.12 0.00 0.00 56.93 58.71 8ruc s PHE 98 Cb -0.09 -2.76 0.01 0.00 -0.57 0.00 0.00 43.02 39.62 8ruc s PHE 98 CO 0.13 0.32 -0.12 0.42 -0.10 0.00 0.00 175.22 175.87 8ruc s ILE 99 N -0.21 1.13 0.14 0.64 1.01 -0.12 -1.41 121.20 122.37 8ruc s ILE 99 Ca 0.36 -0.47 0.08 0.00 0.00 0.00 0.00 60.65 60.63 8ruc s ILE 99 Cb -0.20 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 8ruc s ILE 99 CO 0.22 0.35 -0.20 0.00 0.00 0.00 0.00 174.94 175.31 8ruc s ARG 100 N 0.71 1.22 -0.17 2.79 1.70 0.02 -0.37 118.95 124.85 8ruc s ARG 100 Ca -0.14 -1.30 -0.05 0.00 -0.47 0.00 0.00 55.73 53.77 8ruc s ARG 100 Cb -0.16 -1.38 -0.03 0.00 -0.57 0.00 0.00 34.95 32.81 8ruc s ARG 100 CO 0.03 0.30 0.01 0.42 -1.08 0.00 0.00 175.30 174.99 8ruc s ILE 101 N -1.63 4.37 0.21 4.99 1.01 -0.32 -1.37 121.20 128.46 8ruc s ILE 101 Ca 0.12 -0.19 0.08 0.00 0.00 0.00 0.00 60.65 60.66 8ruc s ILE 101 Cb -0.08 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.40 8ruc s ILE 101 CO 0.06 0.48 -0.15 0.27 0.00 0.00 0.00 174.94 175.60 8ruc s ILE 102 N 0.29 1.81 -0.08 2.92 -4.36 0.47 -1.81 121.20 120.45 8ruc s ILE 102 Ca 0.00 -2.23 -0.01 0.00 -0.26 0.00 0.00 60.65 58.15 8ruc s ILE 102 Cb -0.13 -2.08 0.03 0.00 1.25 0.00 0.00 42.46 41.52 8ruc s ILE 102 CO 0.01 -0.57 -0.02 -0.83 0.24 0.00 0.00 174.94 173.78 8ruc s GLY 103 N -3.34 0.54 0.17 6.27 0.00 -0.68 -1.07 107.32 109.21 8ruc s GLY 103 Ca 0.23 -0.20 -0.15 0.00 0.00 0.00 0.00 44.72 44.61 8ruc s GLY 103 CO 0.08 1.04 0.58 -1.36 0.00 0.00 0.00 173.10 173.44 8ruc s PHE 104 N 1.87 3.58 -0.34 1.90 0.08 0.59 -0.75 117.98 124.91 8ruc s PHE 104 Ca 0.04 1.09 -0.00 0.00 0.12 0.00 0.00 56.93 58.18 8ruc s PHE 104 Cb -0.12 -2.40 0.08 0.00 -0.57 0.00 0.00 43.02 40.01 8ruc s PHE 104 CO -0.06 0.39 0.07 0.34 -0.10 0.00 0.00 175.22 175.86 8ruc s ASP 105 N -1.80 4.93 0.44 1.36 2.15 -0.52 -0.77 116.67 122.47 8ruc s ASP 105 Ca 0.40 -1.75 0.16 0.00 0.43 0.00 0.00 52.55 51.79 8ruc s ASP 105 Cb -0.15 -1.71 1.00 0.00 -0.30 0.00 0.00 42.92 41.76 8ruc s ASP 105 CO 0.19 -0.38 1.96 0.77 -0.17 0.00 0.00 175.17 177.55 8ruc h SER 106 N 7.89 0.00 -0.31 -0.34 4.64 -1.92 0.45 113.55 123.98 8ruc h SER 106 Ca -0.14 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.09 8ruc h SER 106 Cb 1.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 8ruc h SER 106 CO 0.58 0.22 -0.18 0.78 -0.87 0.00 0.00 176.83 177.36 8ruc h ASN 107 N 0.00 0.69 0.38 4.97 2.35 -1.96 -3.17 115.58 118.83 8ruc h ASN 107 Ca -0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 8ruc h ASN 107 Cb 0.41 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.59 8ruc h ASN 107 CO 0.03 0.96 -1.14 0.54 -1.65 0.00 0.00 177.43 176.17 8ruc n ARG 108 N -4.36 0.32 -3.45 0.81 1.74 -1.21 -5.00 116.66 105.52 8ruc n ARG 108 Ca -0.03 -0.02 -0.18 0.00 -0.77 0.00 0.00 57.85 56.85 8ruc n ARG 108 Cb 0.40 -1.59 0.08 0.00 -1.02 0.00 0.00 32.46 30.33 8ruc n ARG 108 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 8ruc n GLU 109 N -2.00 -5.44 -4.00 5.56 2.13 0.16 -5.03 120.64 112.03 8ruc n GLU 109 Ca 0.01 0.80 -0.09 0.00 0.66 0.00 0.00 57.16 58.55 8ruc n GLU 109 Cb 0.45 -5.70 -0.11 0.00 0.27 0.00 0.00 31.44 26.35 8ruc n GLU 109 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 8ruc s VAL 110 N -3.42 0.14 -0.27 6.31 -7.23 -1.05 -4.97 120.40 109.90 8ruc s VAL 110 Ca 0.09 -1.06 -0.27 0.00 -1.81 0.00 0.00 61.98 58.93 8ruc s VAL 110 Cb -0.01 -0.47 0.01 0.00 0.56 0.00 0.00 36.38 36.46 8ruc s VAL 110 CO 0.75 -0.58 0.97 -1.10 -0.31 0.00 0.00 175.10 174.83 8ruc s GLN 111 N -1.86 4.13 0.00 4.82 -0.21 -1.26 -1.44 119.66 123.84 8ruc s GLN 111 Ca -0.12 1.06 0.25 0.00 0.02 0.00 0.00 55.36 56.56 8ruc s GLN 111 Cb -0.07 -3.69 0.46 0.00 1.00 0.00 0.00 33.01 30.72 8ruc s GLN 111 CO -0.02 -0.70 1.38 0.00 -2.12 0.00 0.00 175.29 173.83 8ruc s ILE 113 N -2.59 0.01 -0.30 0.00 -1.09 -1.21 -4.96 121.20 111.05 8ruc s ILE 113 Ca 0.20 -0.04 -0.12 0.00 -2.23 0.00 0.00 60.65 58.46 8ruc s ILE 113 Cb 0.19 -0.30 0.15 0.00 -1.58 0.00 0.00 42.46 40.91 8ruc s ILE 113 CO 0.58 -0.02 0.79 -0.55 -1.23 0.00 0.00 174.94 174.50 8ruc s SER 114 N 0.01 -0.92 -0.14 3.58 0.15 -1.25 -1.69 113.70 113.45 8ruc s SER 114 Ca -0.01 1.22 -0.25 0.00 0.70 0.00 0.00 55.95 57.61 8ruc s SER 114 Cb -0.02 2.03 0.06 0.00 -1.71 0.00 0.00 66.02 66.38 8ruc s SER 114 CO 0.00 -0.18 0.63 0.72 1.20 0.00 0.00 173.24 175.62 8ruc s PHE 115 N 2.72 -0.64 -0.08 3.44 -0.71 -0.75 -4.48 117.98 117.47 8ruc s PHE 115 Ca -0.04 1.34 -0.30 0.00 -1.04 0.00 0.00 56.93 56.90 8ruc s PHE 115 Cb -0.10 0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 41.97 8ruc s PHE 115 CO -0.18 -0.46 1.48 -1.50 -1.34 0.00 0.00 175.22 173.21 8ruc s ILE 116 N -0.48 3.82 -0.44 -4.49 1.10 -1.26 -1.17 121.20 118.28 8ruc s ILE 116 Ca -0.06 1.05 0.22 0.00 -0.51 0.00 0.00 60.65 61.34 8ruc s ILE 116 Cb -0.03 -3.67 -0.28 0.00 0.15 0.00 0.00 42.46 38.63 8ruc s ILE 116 CO 0.05 -0.07 0.68 0.00 -2.11 0.00 0.00 174.94 173.49 8ruc n ALA 117 N 6.61 3.58 -3.60 1.50 0.00 0.51 -4.92 120.51 124.18 8ruc n ALA 117 Ca 0.15 -0.54 -0.13 0.00 0.00 0.00 0.00 53.44 52.92 8ruc n ALA 117 Cb 0.44 -0.78 -0.07 0.00 0.00 0.00 0.00 19.45 19.04 8ruc n ALA 117 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 8ruc s TYR 118 N -3.30 -0.66 0.00 0.00 5.04 -0.87 -4.99 117.35 112.57 8ruc s TYR 118 Ca -0.01 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.10 8ruc s TYR 118 Cb 0.15 0.34 -0.00 0.00 0.35 0.00 0.00 41.96 42.79 8ruc s TYR 118 CO 0.89 -0.39 -0.02 -1.59 -1.34 0.00 0.00 175.55 173.10 8ruc s LYS 119 N -0.12 0.15 1.26 4.97 -2.85 -1.26 -0.95 119.74 120.94 8ruc s LYS 119 Ca -0.02 -0.16 -0.15 0.00 -1.00 0.00 0.00 55.97 54.64 8ruc s LYS 119 Cb -0.04 -0.07 0.32 0.00 -2.06 0.00 0.00 37.83 35.98 8ruc s LYS 119 CO 0.01 0.02 0.98 -0.35 0.10 0.00 0.00 175.35 176.11 8ruc n PRO 120 N 2.76 -3.10 -2.03 1.78 -0.04 -1.24 -4.91 135.00 128.22 8ruc n PRO 120 Ca -0.14 -0.89 -0.41 0.00 -0.04 0.00 0.00 63.50 62.02 8ruc n PRO 120 Cb 0.59 -2.11 -0.02 0.00 -0.04 0.00 0.00 33.50 31.92 8ruc n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 8ruc s ALA 121 N -2.33 3.53 0.00 0.55 0.00 -1.26 -3.05 121.76 119.20 8ruc s ALA 121 Ca 0.69 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.99 8ruc s ALA 121 Cb -0.23 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.37 8ruc s ALA 121 CO 0.64 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 176.07 8ruc n GLY 122 N 0.95 0.81 0.00 0.00 0.00 -1.26 -5.16 105.19 100.53 8ruc n GLY 122 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.93 8ruc n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60