#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9s n HIS 3 N 0.00 1.03 -0.74 -1.55 8.25 -1.26 -4.54 115.22 116.42 2x9s n HIS 3 Ca 0.00 0.90 0.00 0.00 -0.26 0.00 0.00 57.72 58.36 2x9s n HIS 3 Cb 0.00 -2.19 0.00 0.00 1.12 0.00 0.00 29.99 28.92 2x9s n HIS 3 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2x9s n LEU 4 N 2.05 -1.60 -0.04 2.41 7.94 -1.26 -5.04 117.00 121.46 2x9s n LEU 4 Ca 0.20 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.10 2x9s n LEU 4 Cb 0.12 -0.80 0.00 0.00 0.53 0.00 0.00 43.42 43.27 2x9s n LEU 4 CO 0.63 0.00 0.02 0.29 -1.11 0.00 0.00 177.39 177.22 2x9s n LYS 5 N 0.59 0.00 -4.44 1.96 4.76 -1.26 -5.12 118.16 114.65 2x9s n LYS 5 Ca 0.00 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.19 2x9s n LYS 5 Cb 0.00 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.08 2x9s n LYS 5 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2x9s s SER 6 N 0.00 3.46 0.36 4.39 1.04 -1.26 -5.16 113.70 116.54 2x9s s SER 6 Ca 0.00 -0.96 0.07 0.00 0.48 0.00 0.00 55.95 55.54 2x9s s SER 6 Cb 0.00 -0.27 -0.01 0.00 0.10 0.00 0.00 66.02 65.84 2x9s s SER 6 CO 0.00 0.06 0.47 -0.83 0.98 0.00 0.00 173.24 173.93 2x9s s GLY 7 N -3.15 1.74 0.00 7.32 0.00 -1.26 -5.01 107.32 106.96 2x9s s GLY 7 Ca 0.26 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.41 2x9s s GLY 7 CO 0.12 -1.45 0.00 0.54 0.00 0.00 0.00 173.10 172.32 2x9s n ARG 8 N -1.67 0.00 -2.44 2.90 3.00 -1.26 -5.10 116.66 112.10 2x9s n ARG 8 Ca 0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 57.85 57.51 2x9s n ARG 8 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.02 2x9s n ARG 8 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2x9s s LYS 9 N -1.22 3.76 -0.29 5.56 2.20 -1.26 -5.05 119.74 123.45 2x9s s LYS 9 Ca 0.00 1.51 -0.18 0.00 -0.36 0.00 0.00 55.97 56.94 2x9s s LYS 9 Cb 0.00 -2.20 0.13 0.00 -1.51 0.00 0.00 37.83 34.24 2x9s s LYS 9 CO 0.00 -0.49 0.92 -0.51 -0.36 0.00 0.00 175.35 174.91 2x9s s LEU 10 N -3.33 -0.59 0.32 5.43 1.43 -1.26 -5.14 118.68 115.55 2x9s s LEU 10 Ca 0.66 0.98 0.04 0.00 -1.03 0.00 0.00 54.13 54.78 2x9s s LEU 10 Cb -0.21 1.91 -0.04 0.00 0.03 0.00 0.00 46.19 47.89 2x9s s LEU 10 CO 0.25 -0.16 0.16 0.21 0.23 0.00 0.00 176.35 177.04 2x9s s ASN 11 N 1.19 1.79 0.32 2.29 3.84 -1.26 -5.10 114.94 118.01 2x9s s ASN 11 Ca -0.07 -1.59 0.00 0.00 0.21 0.00 0.00 52.86 51.41 2x9s s ASN 11 Cb -0.04 0.40 0.00 0.00 -0.55 0.00 0.00 41.25 41.06 2x9s s ASN 11 CO -0.14 -0.90 0.00 0.54 -2.79 0.00 0.00 177.10 173.81 2x9s n ARG 12 N -0.65 -2.08 -3.52 0.43 1.74 -1.26 -4.55 116.66 106.77 2x9s n ARG 12 Ca 0.00 1.54 -0.28 0.00 -0.77 0.00 0.00 57.85 58.34 2x9s n ARG 12 Cb 0.65 -2.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.56 2x9s n ARG 12 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2x9s s HIS 13 N -2.76 3.48 0.01 -1.55 -3.43 -1.26 -4.76 115.29 105.01 2x9s s HIS 13 Ca 0.00 0.52 -0.01 0.00 -0.80 0.00 0.00 55.06 54.76 2x9s s HIS 13 Cb 0.00 -2.00 -0.00 0.00 -1.43 0.00 0.00 32.58 29.15 2x9s s HIS 13 CO 0.00 0.28 0.10 -1.13 -2.00 0.00 0.00 174.74 171.99 2x9s n SER 14 N -0.71 -0.04 -0.06 7.38 3.41 -1.26 -0.21 113.62 122.12 2x9s n SER 14 Ca -0.03 0.11 -0.09 0.00 -0.26 0.00 0.00 58.87 58.60 2x9s n SER 14 Cb 0.54 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 2x9s n SER 14 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2x9s h SER 15 N 0.00 -1.06 -0.21 4.04 0.87 -1.99 -1.65 113.55 113.56 2x9s h SER 15 Ca 0.01 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2x9s h SER 15 Cb 0.02 0.47 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2x9s h SER 15 CO -0.04 -0.34 0.13 -0.74 -0.53 0.00 0.00 176.83 175.31 2x9s h HIS 16 N -0.33 0.26 -0.82 2.24 -0.00 -0.97 -2.48 115.15 113.05 2x9s h HIS 16 Ca 0.13 0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.58 2x9s h HIS 16 Cb 0.54 -0.09 -0.06 0.00 -0.00 0.00 0.00 27.41 27.80 2x9s h HIS 16 CO -0.47 0.19 0.49 -0.09 -0.00 0.00 0.00 177.93 178.04 2x9s h ARG 17 N 0.27 0.84 0.42 5.26 2.43 -0.91 -0.85 114.38 121.84 2x9s h ARG 17 Ca 0.07 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2x9s h ARG 17 Cb -0.01 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 2x9s h ARG 17 CO -0.02 0.56 -0.20 1.25 -1.51 0.00 0.00 179.97 180.05 2x9s h LEU 18 N 0.87 -0.48 -0.96 3.80 6.46 -1.12 -2.58 115.31 121.29 2x9s h LEU 18 Ca 0.37 -0.08 0.24 0.00 -0.12 0.00 0.00 57.88 58.30 2x9s h LEU 18 Cb 0.24 0.12 -0.13 0.00 -0.73 0.00 0.00 40.66 40.17 2x9s h LEU 18 CO -0.20 -0.19 0.52 0.00 -0.62 0.00 0.00 178.44 177.95 2x9s h ALA 19 N -0.29 1.68 0.37 1.25 0.00 -1.08 -0.86 119.26 120.34 2x9s h ALA 19 Ca -0.06 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2x9s h ALA 19 Cb 0.53 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2x9s h ALA 19 CO 0.10 -0.32 -0.25 1.25 0.00 0.00 0.00 179.25 180.03 2x9s h LEU 20 N 0.49 -0.63 -0.34 0.00 5.85 -0.93 0.46 115.31 120.21 2x9s h LEU 20 Ca 0.62 0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.43 2x9s h LEU 20 Cb 1.20 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.38 2x9s h LEU 20 CO -0.51 -0.39 0.07 1.88 -0.34 0.00 0.00 178.44 179.15 2x9s h TYR 21 N -0.61 0.11 0.64 1.25 0.99 -0.81 0.41 116.97 118.95 2x9s h TYR 21 Ca -0.04 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.68 2x9s h TYR 21 Cb 0.51 0.00 0.01 0.00 1.00 0.00 0.00 36.73 38.25 2x9s h TYR 21 CO -0.11 0.02 -0.31 0.00 -0.00 0.00 0.00 178.16 177.77 2x9s h ARG 22 N 0.19 -0.82 -0.30 4.88 3.08 -1.08 0.12 114.38 120.45 2x9s h ARG 22 Ca 0.16 0.06 0.09 0.00 0.07 0.00 0.00 59.98 60.36 2x9s h ARG 22 Cb 0.18 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2x9s h ARG 22 CO -0.21 -0.53 0.28 -0.91 -1.07 0.00 0.00 179.97 177.53 2x9s h ASN 23 N -0.93 0.00 0.18 7.04 -0.26 0.16 -0.00 115.58 121.77 2x9s h ASN 23 Ca -0.09 0.00 -0.28 0.00 -0.56 0.00 0.00 56.30 55.37 2x9s h ASN 23 Cb 0.68 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.96 2x9s h ASN 23 CO 0.14 0.00 -1.33 1.56 -1.06 0.00 0.00 177.43 176.75 2x9s h GLN 24 N 0.00 0.38 -0.94 0.81 4.20 -0.58 -2.60 115.11 116.37 2x9s h GLN 24 Ca 0.14 -0.64 0.00 0.00 0.06 0.00 0.00 58.65 58.21 2x9s h GLN 24 Cb 0.70 0.24 -0.05 0.00 0.30 0.00 0.00 27.48 28.67 2x9s h GLN 24 CO -0.00 1.31 0.60 0.00 -0.67 0.00 0.00 178.83 180.07 2x9s h ALA 25 N 0.08 1.29 0.72 3.87 0.00 0.24 0.44 119.26 125.88 2x9s h ALA 25 Ca -0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2x9s h ALA 25 Cb 1.91 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 2x9s h ALA 25 CO 0.17 0.64 -0.41 0.87 0.00 0.00 0.00 179.25 180.52 2x9s h LYS 26 N 1.28 -1.01 -0.74 0.00 1.57 -1.11 0.26 116.57 116.82 2x9s h LYS 26 Ca 0.34 0.07 0.15 0.00 -1.87 0.00 0.00 60.65 59.34 2x9s h LYS 26 Cb -0.11 0.23 -0.14 0.00 0.08 0.00 0.00 32.23 32.29 2x9s h LYS 26 CO -0.07 -0.67 -0.19 0.77 -0.57 0.00 0.00 179.45 178.72 2x9s h SER 27 N -1.05 -0.70 0.00 0.86 0.02 -1.00 -0.97 113.55 110.71 2x9s h SER 27 Ca -0.09 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2x9s h SER 27 Cb 0.83 0.47 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2x9s h SER 27 CO 0.12 -0.25 0.00 -0.11 -1.14 0.00 0.00 176.83 175.45 2x9s n LEU 28 N -5.49 0.00 -0.33 5.07 0.00 0.09 -1.33 117.00 115.01 2x9s n LEU 28 Ca 0.10 0.90 0.07 0.00 0.00 0.00 0.00 56.01 57.08 2x9s n LEU 28 Cb 0.38 -0.40 0.15 0.00 0.00 0.00 0.00 43.42 43.55 2x9s n LEU 28 CO -0.01 -0.40 0.62 0.18 0.00 0.00 0.00 177.39 177.79 2x9s n LEU 29 N -1.71 -0.29 -0.01 -1.96 7.99 0.04 0.15 117.00 121.22 2x9s n LEU 29 Ca 0.00 1.57 -0.10 0.00 -0.01 0.00 0.00 56.01 57.47 2x9s n LEU 29 Cb 0.00 -0.49 -0.04 0.00 -0.11 0.00 0.00 43.42 42.78 2x9s n LEU 29 CO 0.00 -1.52 0.83 0.74 -1.51 0.00 0.00 177.39 175.93 2x9s h THR 30 N 0.00 0.81 0.00 -5.08 2.02 -1.14 -3.32 112.91 106.21 2x9s h THR 30 Ca 0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.64 2x9s h THR 30 Cb 0.75 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2x9s h THR 30 CO -0.93 0.00 -1.53 1.41 0.37 0.00 0.00 175.52 174.84 2x9s n HIS 31 N -5.19 0.16 0.00 3.16 8.25 0.10 -5.00 115.22 116.70 2x9s n HIS 31 Ca -0.04 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2x9s n HIS 31 Cb 0.12 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 30.78 2x9s n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2x9s n GLY 32 N 1.31 1.59 3.03 -1.41 0.00 0.39 -4.87 105.19 105.23 2x9s n GLY 32 Ca -0.01 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 2x9s n GLY 32 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2x9s s ARG 33 N 0.00 1.21 0.03 1.61 3.52 -1.26 -1.49 118.95 122.57 2x9s s ARG 33 Ca 0.00 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.22 2x9s s ARG 33 Cb 0.00 -1.10 -0.02 0.00 -1.56 0.00 0.00 34.95 32.27 2x9s s ARG 33 CO 0.00 0.14 -0.03 0.42 -0.81 0.00 0.00 175.30 175.01 2x9s s ILE 34 N 0.20 0.17 -0.13 4.11 -1.09 -0.48 -4.90 121.20 119.07 2x9s s ILE 34 Ca -0.04 -1.04 0.01 0.00 -2.23 0.00 0.00 60.65 57.35 2x9s s ILE 34 Cb -0.10 -0.45 0.02 0.00 -1.58 0.00 0.00 42.46 40.35 2x9s s ILE 34 CO 0.01 -0.55 -0.13 -0.89 -1.23 0.00 0.00 174.94 172.15 2x9s s THR 35 N -1.75 1.47 0.00 2.92 2.01 -1.26 -0.02 115.64 119.01 2x9s s THR 35 Ca -0.13 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.29 2x9s s THR 35 Cb -0.08 -1.38 0.00 0.00 0.01 0.00 0.00 72.50 71.05 2x9s s THR 35 CO -0.02 0.44 0.00 0.35 -0.69 0.00 0.00 174.62 174.70 2x9s n THR 36 N 4.64 0.00 -2.65 -0.82 -2.24 -0.78 -4.99 114.28 107.44 2x9s n THR 36 Ca -0.17 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 2x9s n THR 36 Cb 0.50 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.68 2x9s n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2x9s s THR 37 N -1.55 4.44 0.17 4.28 -4.23 -1.26 -1.09 115.64 116.40 2x9s s THR 37 Ca 0.00 1.38 -0.18 0.00 -1.18 0.00 0.00 61.69 61.71 2x9s s THR 37 Cb 0.00 -3.65 0.11 0.00 1.34 0.00 0.00 72.50 70.31 2x9s s THR 37 CO 0.00 -0.47 1.64 0.58 -0.54 0.00 0.00 174.62 175.83 2x9s h VAL 38 N 1.51 0.44 0.78 2.29 2.07 -1.83 -0.10 116.25 121.41 2x9s h VAL 38 Ca -0.48 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 2x9s h VAL 38 Cb 1.18 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2x9s h VAL 38 CO 0.61 0.00 -0.45 -0.65 0.02 0.00 0.00 177.57 177.10 2x9s h PRO 39 N -0.09 -1.10 -0.59 1.57 0.11 -1.93 -0.26 132.00 129.71 2x9s h PRO 39 Ca 0.21 0.08 0.17 0.00 0.11 0.00 0.00 66.00 66.56 2x9s h PRO 39 Cb 0.41 0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 2x9s h PRO 39 CO -0.49 -0.74 0.53 0.87 -0.21 0.00 0.00 178.00 177.97 2x9s h LYS 40 N -1.15 0.00 0.00 1.05 1.57 -1.86 -2.20 116.57 113.98 2x9s h LYS 40 Ca -0.10 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2x9s h LYS 40 Cb 0.91 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 2x9s h LYS 40 CO 0.12 0.00 -0.01 0.00 -0.57 0.00 0.00 179.45 178.99 2x9s h ALA 41 N 1.49 0.00 -1.45 3.86 0.00 -0.48 -2.54 119.26 120.14 2x9s h ALA 41 Ca 0.28 -0.09 0.42 0.00 0.00 0.00 0.00 54.91 55.52 2x9s h ALA 41 Cb 1.34 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 2x9s h ALA 41 CO -0.00 0.01 1.03 0.87 0.00 0.00 0.00 179.25 181.16 2x9s h LYS 42 N -1.00 0.02 0.11 0.00 1.57 -0.61 0.38 116.57 117.04 2x9s h LYS 42 Ca -0.00 -0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 2x9s h LYS 42 Cb 0.16 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.49 2x9s h LYS 42 CO -0.00 0.01 -0.83 1.49 -0.57 0.00 0.00 179.45 179.56 2x9s h GLU 43 N 0.02 0.36 -0.10 3.15 4.57 -1.49 -3.21 114.58 117.89 2x9s h GLU 43 Ca 0.70 -0.54 0.03 0.00 -1.18 0.00 0.00 59.36 58.37 2x9s h GLU 43 Cb 2.75 0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 31.52 2x9s h GLU 43 CO -0.04 1.23 0.16 1.25 -1.18 0.00 0.00 179.01 180.43 2x9s h LEU 44 N -0.23 0.00 0.00 1.64 7.12 0.17 -3.31 115.31 120.70 2x9s h LEU 44 Ca -0.13 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.88 2x9s h LEU 44 Cb 1.61 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.74 2x9s h LEU 44 CO 0.16 0.00 0.00 -1.14 -0.13 0.00 0.00 178.44 177.33 2x9s n ARG 45 N -3.54 0.00 0.00 1.25 0.63 -0.67 -2.39 116.66 111.94 2x9s n ARG 45 Ca -0.00 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 2x9s n ARG 45 Cb 0.25 -0.65 0.00 0.00 0.45 0.00 0.00 32.46 32.51 2x9s n ARG 45 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2x9s n GLY 46 N -0.24 -0.23 0.10 5.14 0.00 -1.25 -2.18 105.19 106.53 2x9s n GLY 46 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2x9s n GLY 46 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2x9s h PHE 47 N 0.00 0.23 -0.24 1.61 3.57 -1.61 -3.21 116.94 117.29 2x9s h PHE 47 Ca 0.00 -0.17 -0.17 0.00 3.53 0.00 0.00 57.97 61.16 2x9s h PHE 47 Cb 0.02 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.75 2x9s h PHE 47 CO 0.00 1.23 -0.50 0.28 -2.23 0.00 0.00 178.31 177.09 2x9s h VAL 48 N -0.71 1.30 -0.74 1.41 2.07 -1.07 -3.09 116.25 115.42 2x9s h VAL 48 Ca -0.13 -1.71 0.14 0.00 0.82 0.00 0.00 66.70 65.82 2x9s h VAL 48 Cb 1.34 1.77 -0.14 0.00 -1.52 0.00 0.00 31.29 32.74 2x9s h VAL 48 CO 0.03 0.54 -0.28 0.44 0.02 0.00 0.00 177.57 178.32 2x9s h ASP 49 N 0.50 -1.01 -0.54 0.57 5.19 -1.58 0.43 116.42 119.97 2x9s h ASP 49 Ca 0.00 0.24 0.04 0.00 -0.62 0.00 0.00 57.03 56.70 2x9s h ASP 49 Cb 1.11 0.56 -0.05 0.00 0.18 0.00 0.00 39.33 41.14 2x9s h ASP 49 CO 0.11 -0.28 0.29 -0.74 -3.12 0.00 0.00 179.24 175.50 2x9s h HIS 50 N -0.07 0.53 -0.21 4.55 2.76 -1.55 0.11 115.15 121.28 2x9s h HIS 50 Ca 0.31 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.51 2x9s h HIS 50 Cb 0.57 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 2x9s h HIS 50 CO -0.67 0.26 0.13 -0.07 -1.30 0.00 0.00 177.93 176.29 2x9s h LEU 51 N 0.56 0.24 0.06 0.26 4.07 -0.25 0.47 115.31 120.72 2x9s h LEU 51 Ca 0.24 -0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.17 2x9s h LEU 51 Cb 0.13 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 2x9s h LEU 51 CO -0.15 0.20 -0.10 0.40 -1.08 0.00 0.00 178.44 177.71 2x9s h ILE 52 N 0.26 0.77 -0.81 1.22 1.08 -0.17 -0.85 117.51 119.01 2x9s h ILE 52 Ca 0.07 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.66 2x9s h ILE 52 Cb 0.00 0.77 -0.08 0.00 -3.07 0.00 0.00 36.82 34.44 2x9s h ILE 52 CO -0.01 0.00 0.44 -0.74 -0.69 0.00 0.00 178.15 177.14 2x9s h HIS 53 N -0.20 0.78 -0.19 1.37 2.76 -0.55 0.10 115.15 119.23 2x9s h HIS 53 Ca 0.02 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 2x9s h HIS 53 Cb 0.21 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 2x9s h HIS 53 CO -0.13 0.27 -0.10 -0.07 -1.30 0.00 0.00 177.93 176.60 2x9s h LEU 54 N 0.70 0.28 -1.31 0.26 4.07 -0.29 -1.55 115.31 117.46 2x9s h LEU 54 Ca 0.41 -0.05 -0.07 0.00 0.08 0.00 0.00 57.88 58.24 2x9s h LEU 54 Cb 0.46 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 2x9s h LEU 54 CO -0.29 0.41 -0.33 0.00 -1.08 0.00 0.00 178.44 177.15 2x9s h ALA 55 N 1.62 1.43 0.00 1.53 0.00 0.59 -2.16 119.26 122.27 2x9s h ALA 55 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2x9s h ALA 55 Cb 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2x9s h ALA 55 CO 0.02 0.43 0.00 1.63 0.00 0.00 0.00 179.25 181.32 2x9s n LYS 56 N -4.14 0.17 0.10 0.00 5.02 -0.59 -1.93 118.16 116.79 2x9s n LYS 56 Ca -0.02 0.49 -0.19 0.00 -2.02 0.00 0.00 58.31 56.56 2x9s n LYS 56 Cb 0.38 -1.88 -0.15 0.00 -0.02 0.00 0.00 35.03 33.36 2x9s n LYS 56 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x9s h ARG 57 N 0.00 0.35 0.00 1.97 3.08 -1.41 -3.48 114.38 114.89 2x9s h ARG 57 Ca 0.00 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.46 2x9s h ARG 57 Cb 0.24 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2x9s h ARG 57 CO 0.00 1.25 0.00 0.41 -1.07 0.00 0.00 179.97 180.56 2x9s n GLY 58 N 1.66 1.89 3.72 0.04 0.00 -0.81 -4.98 105.19 106.71 2x9s n GLY 58 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 2x9s n GLY 58 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2x9s s ASP 59 N -0.64 4.38 0.28 1.61 3.84 -1.26 -4.69 116.67 120.18 2x9s s ASP 59 Ca 0.00 2.55 -0.00 0.00 -0.00 0.00 0.00 52.55 55.10 2x9s s ASP 59 Cb 0.00 -2.61 0.64 0.00 -1.38 0.00 0.00 42.92 39.57 2x9s s ASP 59 CO 0.00 -2.15 1.64 0.25 -0.00 0.00 0.00 175.17 174.91 2x9s h LEU 60 N 0.20 -0.10 -0.21 2.11 5.85 -1.99 0.15 115.31 121.32 2x9s h LEU 60 Ca -0.50 0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.48 2x9s h LEU 60 Cb 1.33 0.29 -0.07 0.00 0.37 0.00 0.00 40.66 42.58 2x9s h LEU 60 CO 0.51 -0.16 -0.26 -0.74 -0.34 0.00 0.00 178.44 177.45 2x9s h HIS 61 N 0.18 -0.71 -0.08 1.25 2.76 -1.99 0.05 115.15 116.61 2x9s h HIS 61 Ca 0.52 0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.77 2x9s h HIS 61 Cb 1.02 0.34 -0.06 0.00 1.55 0.00 0.00 27.41 30.26 2x9s h HIS 61 CO -0.31 -0.34 -0.38 0.00 -1.30 0.00 0.00 177.93 175.60 2x9s h ALA 62 N 0.69 -0.54 -0.71 5.26 0.00 -1.03 0.39 119.26 123.31 2x9s h ALA 62 Ca 0.12 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.18 2x9s h ALA 62 Cb 0.48 0.70 -0.12 0.00 0.00 0.00 0.00 17.79 18.85 2x9s h ALA 62 CO -0.37 -0.89 -0.00 -0.09 0.00 0.00 0.00 179.25 177.90 2x9s h ARG 63 N -0.49 0.10 -0.31 0.00 2.43 -0.79 0.21 114.38 115.54 2x9s h ARG 63 Ca 0.07 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 2x9s h ARG 63 Cb 0.61 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2x9s h ARG 63 CO -0.35 0.07 -0.06 0.00 -1.51 0.00 0.00 179.97 178.13 2x9s h ARG 64 N 0.11 0.59 -0.86 0.20 3.08 0.32 0.12 114.38 117.94 2x9s h ARG 64 Ca 0.38 -0.22 0.03 0.00 0.07 0.00 0.00 59.98 60.24 2x9s h ARG 64 Cb 0.65 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.61 2x9s h ARG 64 CO -0.62 0.76 0.55 -0.07 -1.07 0.00 0.00 179.97 179.53 2x9s h LEU 65 N 0.37 0.93 -0.91 3.04 4.07 0.11 -1.71 115.31 121.21 2x9s h LEU 65 Ca 0.08 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.93 2x9s h LEU 65 Cb 0.53 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 2x9s h LEU 65 CO 0.03 0.64 -0.50 0.58 -1.08 0.00 0.00 178.44 178.11 2x9s h VAL 66 N 1.09 1.23 0.00 1.22 2.07 -0.45 -2.64 116.25 118.76 2x9s h VAL 66 Ca 0.34 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 2x9s h VAL 66 Cb -0.02 2.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2x9s h VAL 66 CO -0.11 0.49 -0.06 -0.07 0.02 0.00 0.00 177.57 177.84 2x9s h LEU 67 N 0.00 0.00 -1.01 2.57 -0.00 -0.03 -2.39 115.31 114.46 2x9s h LEU 67 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.88 2x9s h LEU 67 Cb 0.96 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.57 2x9s h LEU 67 CO 0.06 0.06 0.66 0.03 -0.00 0.00 0.00 178.44 179.25 2x9s h ARG 68 N 0.00 1.32 0.00 1.13 3.08 -1.24 -3.27 114.38 115.40 2x9s h ARG 68 Ca -0.00 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.83 2x9s h ARG 68 Cb 0.29 -0.30 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2x9s h ARG 68 CO 0.01 0.88 -1.19 -0.25 -1.07 0.00 0.00 179.97 178.35 2x9s n ASP 69 N -4.38 1.89 -4.55 7.04 9.92 -1.04 -4.62 116.55 120.80 2x9s n ASP 69 Ca 0.12 0.45 -0.41 0.00 -0.53 0.00 0.00 54.79 54.41 2x9s n ASP 69 Cb 0.02 -0.84 -0.03 0.00 -0.64 0.00 0.00 41.12 39.63 2x9s n ASP 69 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2x9s s LEU 70 N -7.93 3.66 0.51 0.64 1.43 -0.93 -4.82 118.68 111.24 2x9s s LEU 70 Ca -0.26 -1.61 0.20 0.00 -1.03 0.00 0.00 54.13 51.43 2x9s s LEU 70 Cb 0.06 -2.56 1.28 0.00 0.03 0.00 0.00 46.19 45.00 2x9s s LEU 70 CO 0.40 -1.44 2.03 -0.61 0.23 0.00 0.00 176.35 176.97 2x9s h GLN 71 N 9.47 0.09 -6.48 1.70 5.75 -1.82 -3.40 115.11 120.43 2x9s h GLN 71 Ca 0.22 -0.01 -0.53 0.00 -0.15 0.00 0.00 58.65 58.18 2x9s h GLN 71 Cb 0.99 -0.02 0.01 0.00 1.07 0.00 0.00 27.48 29.54 2x9s h GLN 71 CO 1.41 0.06 0.78 0.34 -2.65 0.00 0.00 178.83 178.77 2x9s s ASP 72 N -6.44 6.82 0.13 -0.69 3.68 -1.26 -4.96 116.67 113.95 2x9s s ASP 72 Ca -0.06 2.26 -0.12 0.00 2.13 0.00 0.00 52.55 56.77 2x9s s ASP 72 Cb 0.19 -2.58 -0.08 0.00 -1.45 0.00 0.00 42.92 39.01 2x9s s ASP 72 CO 0.72 -0.69 1.42 1.62 0.13 0.00 0.00 175.17 178.37 2x9s h VAL 73 N 4.53 1.28 0.06 1.11 3.04 -1.97 -2.36 116.25 121.92 2x9s h VAL 73 Ca -0.41 -1.66 -0.00 0.00 -1.01 0.00 0.00 66.70 63.62 2x9s h VAL 73 Cb 1.20 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 32.04 2x9s h VAL 73 CO 0.88 0.55 -0.03 0.11 -1.01 0.00 0.00 177.57 178.07 2x9s h LYS 74 N 0.68 -0.07 -0.93 4.17 1.57 -1.97 -1.98 116.57 118.02 2x9s h LYS 74 Ca 0.03 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.93 2x9s h LYS 74 Cb 1.09 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.33 2x9s h LYS 74 CO 0.11 0.23 0.56 1.25 -0.57 0.00 0.00 179.45 181.04 2x9s h LEU 75 N -0.38 0.81 -0.87 2.94 7.12 -1.96 -0.59 115.31 122.38 2x9s h LEU 75 Ca -0.01 0.05 -0.12 0.00 0.13 0.00 0.00 57.88 57.94 2x9s h LEU 75 Cb 0.34 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.35 2x9s h LEU 75 CO 0.01 0.43 -0.49 1.62 -0.13 0.00 0.00 178.44 179.89 2x9s h VAL 76 N 0.90 1.35 0.60 1.05 3.04 -1.31 -2.24 116.25 119.64 2x9s h VAL 76 Ca 0.46 -1.71 -0.03 0.00 -1.01 0.00 0.00 66.70 64.41 2x9s h VAL 76 Cb 0.46 1.84 0.01 0.00 -2.01 0.00 0.00 31.29 31.59 2x9s h VAL 76 CO -0.27 0.50 -0.29 0.03 -1.01 0.00 0.00 177.57 176.54 2x9s h ARG 77 N 0.14 -0.78 -1.56 4.17 3.08 -0.35 -1.45 114.38 117.63 2x9s h ARG 77 Ca 0.01 0.05 0.49 0.00 0.07 0.00 0.00 59.98 60.59 2x9s h ARG 77 Cb 0.92 0.18 -0.11 0.00 0.08 0.00 0.00 29.97 31.04 2x9s h ARG 77 CO 0.07 -0.52 1.06 -0.22 -1.07 0.00 0.00 179.97 179.30 2x9s h LYS 78 N -0.86 0.03 0.28 0.04 3.64 -1.30 0.74 116.57 119.14 2x9s h LYS 78 Ca -0.08 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2x9s h LYS 78 Cb 0.62 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2x9s h LYS 78 CO 0.14 0.02 -0.13 1.25 -2.27 0.00 0.00 179.45 178.46 2x9s h LEU 79 N 0.04 -0.31 -0.25 5.20 6.46 -0.73 -0.02 115.31 125.69 2x9s h LEU 79 Ca 0.86 -0.18 -0.07 0.00 -0.12 0.00 0.00 57.88 58.37 2x9s h LEU 79 Cb 3.03 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 43.04 2x9s h LEU 79 CO -0.25 0.03 -0.11 -0.26 -0.62 0.00 0.00 178.44 177.23 2x9s h PHE 80 N -0.68 0.58 0.16 1.25 0.05 0.13 0.40 116.94 118.84 2x9s h PHE 80 Ca -0.04 -0.14 -0.23 0.00 3.82 0.00 0.00 57.97 61.38 2x9s h PHE 80 Cb 0.47 -0.14 0.02 0.00 2.00 0.00 0.00 35.95 38.31 2x9s h PHE 80 CO 0.02 0.77 -1.01 -0.44 -0.18 0.00 0.00 178.31 177.46 2x9s h ASP 81 N 0.23 0.53 0.01 2.17 5.19 -0.68 -3.37 116.42 120.49 2x9s h ASP 81 Ca 0.06 -0.94 -0.40 0.00 -0.62 0.00 0.00 57.03 55.13 2x9s h ASP 81 Cb 0.61 -0.17 -0.07 0.00 0.18 0.00 0.00 39.33 39.88 2x9s h ASP 81 CO 0.03 1.48 -2.45 -0.62 -3.12 0.00 0.00 179.24 174.56 2x9s n GLU 82 N -4.02 0.64 0.00 3.56 1.02 -0.19 -4.66 120.64 117.00 2x9s n GLU 82 Ca -0.16 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2x9s n GLU 82 Cb 0.89 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 2x9s n GLU 82 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2x9s n ILE 83 N -3.49 0.00 -0.09 -3.67 2.08 -0.24 -4.40 119.36 109.55 2x9s n ILE 83 Ca -0.47 0.17 -0.01 0.00 0.56 0.00 0.00 62.75 63.00 2x9s n ILE 83 Cb 0.97 -0.48 -0.01 0.00 -0.75 0.00 0.00 39.64 39.38 2x9s n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2x9s n ALA 84 N -0.94 -0.08 -0.33 -1.39 0.00 0.14 -0.58 120.51 117.33 2x9s n ALA 84 Ca 0.00 0.22 0.01 0.00 0.00 0.00 0.00 53.44 53.67 2x9s n ALA 84 Cb 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 19.45 19.46 2x9s n ALA 84 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2x9s h PRO 85 N 0.00 -0.02 -0.05 0.00 0.11 -1.78 0.77 132.00 131.03 2x9s h PRO 85 Ca 0.06 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.19 2x9s h PRO 85 Cb 0.12 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.23 2x9s h PRO 85 CO -0.23 -0.02 0.62 0.00 -0.21 0.00 0.00 178.00 178.17 2x9s h ARG 86 N -0.02 0.00 -0.00 1.05 3.08 -1.05 -1.54 114.38 115.90 2x9s h ARG 86 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 2x9s h ARG 86 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2x9s h ARG 86 CO -0.92 0.00 -0.54 0.66 -1.07 0.00 0.00 179.97 178.10 2x9s n TYR 87 N -2.79 0.00 -0.12 3.04 4.01 0.26 -4.76 117.16 116.80 2x9s n TYR 87 Ca -0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.81 2x9s n TYR 87 Cb 0.66 0.00 0.14 0.00 -0.31 0.00 0.00 39.34 39.83 2x9s n TYR 87 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2x9s n ARG 88 N -1.21 -0.03 0.11 -0.72 0.00 -0.58 0.22 116.66 114.46 2x9s n ARG 88 Ca 0.02 0.52 0.07 0.00 -0.00 0.00 0.00 57.85 58.46 2x9s n ARG 88 Cb 0.19 -0.86 0.01 0.00 0.00 0.00 0.00 32.46 31.80 2x9s n ARG 88 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2x9s h ASP 89 N 0.00 0.00 -3.86 6.15 3.32 -1.86 -3.46 116.42 116.71 2x9s h ASP 89 Ca 0.24 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.80 2x9s h ASP 89 Cb 0.55 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.11 2x9s h ASP 89 CO -0.32 0.26 0.43 -0.60 -1.72 0.00 0.00 179.24 177.29 2x9s s ARG 90 N -3.14 4.48 -0.35 3.56 3.52 0.60 -5.04 118.95 122.59 2x9s s ARG 90 Ca 0.01 1.64 0.03 0.00 -0.13 0.00 0.00 55.73 57.28 2x9s s ARG 90 Cb 0.08 -2.94 0.10 0.00 -1.56 0.00 0.00 34.95 30.64 2x9s s ARG 90 CO 0.76 0.12 0.08 -0.65 -0.81 0.00 0.00 175.30 174.80 2x9s s GLN 91 N -1.84 1.43 0.34 5.12 -0.21 -1.26 -4.99 119.66 118.25 2x9s s GLN 91 Ca 0.49 -1.85 0.00 0.00 0.02 0.00 0.00 55.36 54.02 2x9s s GLN 91 Cb -0.27 -3.07 0.00 0.00 1.00 0.00 0.00 33.01 30.67 2x9s s GLN 91 CO 0.34 -0.96 0.00 0.41 -2.12 0.00 0.00 175.29 172.96 2x9s n GLY 92 N 4.21 -3.02 1.96 3.09 0.00 -1.26 -4.94 105.19 105.23 2x9s n GLY 92 Ca 0.03 -1.23 -0.06 0.00 0.00 0.00 0.00 46.02 44.77 2x9s n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x9s n GLY 93 N -3.28 0.53 0.04 -0.02 0.00 -1.26 -4.90 105.19 96.30 2x9s n GLY 93 Ca -0.05 -0.43 0.14 0.00 0.00 0.00 0.00 46.02 45.68 2x9s n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2x9s n TYR 94 N -2.92 0.00 -4.39 1.61 0.53 -1.26 -4.84 117.16 105.90 2x9s n TYR 94 Ca -0.01 0.00 -0.25 0.00 -1.02 0.00 0.00 57.90 56.62 2x9s n TYR 94 Cb 0.52 -0.31 -0.12 0.00 -1.03 0.00 0.00 39.34 38.40 2x9s n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.02 0.00 0.00 176.86 175.76 2x9s s THR 95 N -2.74 2.15 -0.01 -0.72 -1.32 -1.26 -4.11 115.64 107.64 2x9s s THR 95 Ca 0.21 -1.94 0.02 0.00 -1.21 0.00 0.00 61.69 58.77 2x9s s THR 95 Cb 0.19 -1.99 -0.00 0.00 -1.51 0.00 0.00 72.50 69.19 2x9s s THR 95 CO 0.53 -0.15 -0.05 -0.60 -2.21 0.00 0.00 174.62 172.14 2x9s s ARG 96 N -2.59 0.43 -0.10 7.08 3.52 -0.71 -4.92 118.95 121.66 2x9s s ARG 96 Ca 0.18 -0.18 -0.00 0.00 -0.13 0.00 0.00 55.73 55.60 2x9s s ARG 96 Cb -0.08 -0.42 0.02 0.00 -1.56 0.00 0.00 34.95 32.92 2x9s s ARG 96 CO 0.08 0.10 -0.07 0.08 -0.81 0.00 0.00 175.30 174.69 2x9s s VAL 97 N -0.07 0.91 -0.05 7.11 1.01 -1.26 -0.58 120.40 127.47 2x9s s VAL 97 Ca 0.01 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2x9s s VAL 97 Cb -0.03 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.43 2x9s s VAL 97 CO -0.00 0.34 -0.09 -0.76 0.00 0.00 0.00 175.10 174.59 2x9s s LEU 98 N 1.58 1.55 0.10 3.92 1.43 -0.31 -4.96 118.68 122.00 2x9s s LEU 98 Ca 0.02 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.61 2x9s s LEU 98 Cb -0.13 -0.62 -0.06 0.00 0.03 0.00 0.00 46.19 45.40 2x9s s LEU 98 CO -0.06 0.01 1.16 -1.59 0.23 0.00 0.00 176.35 176.10 2x9s s LYS 99 N 0.66 4.49 0.39 1.70 0.00 -1.26 0.66 119.74 126.39 2x9s s LYS 99 Ca -0.11 1.75 -0.10 0.00 0.00 0.00 0.00 55.97 57.51 2x9s s LYS 99 Cb -0.14 -3.32 -0.06 0.00 0.00 0.00 0.00 37.83 34.31 2x9s s LYS 99 CO 0.02 -0.13 0.75 -0.51 0.00 0.00 0.00 175.35 175.47 2x9s s LEU 100 N 0.52 3.85 0.46 2.77 1.02 0.06 -4.90 118.68 122.46 2x9s s LEU 100 Ca 0.55 1.08 -0.03 0.00 0.02 0.00 0.00 54.13 55.75 2x9s s LEU 100 Cb -0.29 -3.96 -0.02 0.00 0.02 0.00 0.00 46.19 41.94 2x9s s LEU 100 CO 0.32 -0.38 0.73 0.00 0.02 0.00 0.00 176.35 177.03 2x9s s ALA 101 N -2.35 3.52 0.07 4.21 0.00 -1.26 -4.52 121.76 121.43 2x9s s ALA 101 Ca 0.50 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2x9s s ALA 101 Cb -0.10 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.62 2x9s s ALA 101 CO 0.31 -0.35 0.00 0.39 0.00 0.00 0.00 175.76 176.11 2x9s n GLU 102 N -2.17 -1.22 -2.84 0.00 1.02 -1.26 -4.95 120.64 109.21 2x9s n GLU 102 Ca 0.00 1.07 -0.21 0.00 -0.02 0.00 0.00 57.16 58.00 2x9s n GLU 102 Cb 0.56 -0.95 0.09 0.00 -0.02 0.00 0.00 31.44 31.12 2x9s n GLU 102 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2x9s s ARG 103 N -3.01 1.98 -0.06 3.49 0.52 -1.26 -4.44 118.95 116.18 2x9s s ARG 103 Ca 0.00 -1.44 -0.30 0.00 -0.52 0.00 0.00 55.73 53.47 2x9s s ARG 103 Cb 0.00 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.92 2x9s s ARG 103 CO 0.00 -1.16 1.36 1.03 0.02 0.00 0.00 175.30 176.55 2x9s s ARG 104 N -4.89 4.27 -1.08 3.54 0.52 -0.35 -4.88 118.95 116.08 2x9s s ARG 104 Ca 0.64 1.86 -0.08 0.00 -0.52 0.00 0.00 55.73 57.64 2x9s s ARG 104 Cb -0.05 -3.66 -0.13 0.00 0.52 0.00 0.00 34.95 31.63 2x9s s ARG 104 CO 0.42 -0.61 2.96 0.54 0.02 0.00 0.00 175.30 178.62 2x9s n ARG 105 N 5.83 2.97 0.00 3.54 1.74 -1.26 -1.25 116.66 128.22 2x9s n ARG 105 Ca 0.13 -1.74 0.00 0.00 -0.77 0.00 0.00 57.85 55.47 2x9s n ARG 105 Cb 0.44 -2.52 0.00 0.00 -1.02 0.00 0.00 32.46 29.36 2x9s n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x9s n GLY 106 N 3.32 0.74 0.00 -0.13 0.00 -1.26 -4.95 105.19 102.91 2x9s n GLY 106 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.65 2x9s n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x9s n ASP 107 N 0.00 0.00 -3.44 1.61 3.85 -1.16 -5.02 116.55 112.38 2x9s n ASP 107 Ca 0.00 -0.24 -0.24 0.00 -0.71 0.00 0.00 54.79 53.60 2x9s n ASP 107 Cb 0.09 0.00 0.06 0.00 -1.35 0.00 0.00 41.12 39.91 2x9s n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2x9s n GLY 108 N 0.00 -0.53 3.73 6.12 0.00 -0.38 -4.97 105.19 109.14 2x9s n GLY 108 Ca 0.00 0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 2x9s n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9s s ALA 109 N -3.26 3.40 0.12 4.61 0.00 -1.26 -4.71 121.76 120.66 2x9s s ALA 109 Ca 0.50 0.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 2x9s s ALA 109 Cb -0.23 -2.83 -0.07 0.00 0.00 0.00 0.00 23.12 20.00 2x9s s ALA 109 CO 0.62 -0.03 1.21 -1.25 0.00 0.00 0.00 175.76 176.31 2x9s s PRO 110 N 0.59 4.45 0.20 0.00 0.04 -1.26 -1.21 135.00 137.81 2x9s s PRO 110 Ca 0.33 1.84 0.07 0.00 0.04 0.00 0.00 61.00 63.27 2x9s s PRO 110 Cb -0.17 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 2x9s s PRO 110 CO 0.16 -0.19 0.10 -0.51 0.04 0.00 0.00 177.00 176.59 2x9s s LEU 111 N 0.50 3.62 0.05 -3.56 1.43 -1.26 -2.96 118.68 116.49 2x9s s LEU 111 Ca 0.57 -0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 53.29 2x9s s LEU 111 Cb -0.31 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.70 2x9s s LEU 111 CO 0.32 0.04 0.18 0.00 0.23 0.00 0.00 176.35 177.12 2x9s s ALA 112 N -1.90 -0.29 0.16 4.21 0.00 -0.25 -0.76 121.76 122.92 2x9s s ALA 112 Ca 0.31 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.93 2x9s s ALA 112 Cb -0.09 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 2x9s s ALA 112 CO 0.22 -0.39 0.04 -0.48 0.00 0.00 0.00 175.76 175.15 2x9s s LEU 113 N -2.28 3.47 -0.23 0.00 2.34 0.21 -1.86 118.68 120.33 2x9s s LEU 113 Ca -0.03 -0.29 -0.00 0.00 0.06 0.00 0.00 54.13 53.87 2x9s s LEU 113 Cb 0.00 -2.12 0.06 0.00 -0.56 0.00 0.00 46.19 43.58 2x9s s LEU 113 CO -0.06 0.10 -0.02 -0.69 -1.06 0.00 0.00 176.35 174.62 2x9s s VAL 114 N -1.67 1.27 0.38 1.48 1.01 0.97 -1.16 120.40 122.69 2x9s s VAL 114 Ca 0.28 -1.09 0.07 0.00 0.00 0.00 0.00 61.98 61.25 2x9s s VAL 114 Cb -0.10 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 2x9s s VAL 114 CO 0.20 -0.16 0.46 -0.70 0.00 0.00 0.00 175.10 174.90 2x9s s GLU 115 N 1.51 2.84 0.00 2.72 2.12 0.25 -1.39 118.70 126.75 2x9s s GLU 115 Ca -0.04 -1.24 0.24 0.00 0.36 0.00 0.00 54.97 54.29 2x9s s GLU 115 Cb -0.18 -2.66 0.31 0.00 0.26 0.00 0.00 34.13 31.85 2x9s s GLU 115 CO -0.07 -0.11 1.30 1.28 -0.54 0.00 0.00 175.26 177.12 2x9s n LEU 116 N -1.66 2.21 -1.40 2.70 4.77 -0.55 -1.75 117.00 121.32 2x9s n LEU 116 Ca 0.03 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 2x9s n LEU 116 Cb 0.59 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 2x9s n LEU 116 CO 0.41 0.38 -0.34 0.52 -1.33 0.00 0.00 177.39 177.03 2x9s n VAL 117 N 0.45 -5.85 0.00 4.08 0.31 -1.26 -4.51 118.33 111.56 2x9s n VAL 117 Ca 0.13 2.03 0.00 0.00 -0.01 0.00 0.00 64.34 66.48 2x9s n VAL 117 Cb 0.49 -3.19 0.00 0.00 -0.91 0.00 0.00 33.84 30.23 2x9s n VAL 117 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72