#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9s n ALA 4 N 0.00 0.00 1.04 6.98 0.00 -1.26 -4.05 120.51 123.22 2x9s n ALA 4 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2x9s n ALA 4 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 2x9s n ALA 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2x9s n TYR 5 N 0.00 0.00 0.78 0.00 4.02 -1.26 -3.59 117.16 117.12 2x9s n TYR 5 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.01 2x9s n TYR 5 Cb 0.00 -0.00 0.14 0.00 -0.02 0.00 0.00 39.34 39.46 2x9s n TYR 5 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2x9s n ASP 6 N 1.20 0.61 -0.01 7.72 8.00 -1.26 -4.27 116.55 128.55 2x9s n ASP 6 Ca 0.14 -0.21 -0.01 0.00 0.71 0.00 0.00 54.79 55.43 2x9s n ASP 6 Cb 0.58 0.44 -0.00 0.00 -0.02 0.00 0.00 41.12 42.11 2x9s n ASP 6 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2x9s h VAL 7 N 0.00 0.00 -2.98 2.53 2.07 -1.90 -3.42 116.25 112.55 2x9s h VAL 7 Ca 0.00 -0.57 -0.56 0.00 0.82 0.00 0.00 66.70 66.39 2x9s h VAL 7 Cb 0.62 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2x9s h VAL 7 CO 0.00 0.00 0.82 -0.63 0.02 0.00 0.00 177.57 177.78 2x9s s ILE 8 N -1.52 4.26 0.00 4.57 1.09 -1.26 -1.78 121.20 126.56 2x9s s ILE 8 Ca -0.01 1.55 0.00 0.00 -1.10 0.00 0.00 60.65 61.09 2x9s s ILE 8 Cb 0.00 -4.00 0.00 0.00 -1.06 0.00 0.00 42.46 37.40 2x9s s ILE 8 CO 0.02 -0.08 0.00 0.18 -0.10 0.00 0.00 174.94 174.96 2x9s n LEU 9 N 5.98 0.11 -4.48 2.97 4.77 -0.30 -4.89 117.00 121.15 2x9s n LEU 9 Ca 0.13 0.08 -0.25 0.00 -0.03 0.00 0.00 56.01 55.93 2x9s n LEU 9 Cb 0.45 -0.41 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 2x9s n LEU 9 CO 0.56 -0.41 -0.16 0.00 -1.33 0.00 0.00 177.39 176.05 2x9s s ALA 10 N -3.34 2.82 0.43 -1.18 0.00 -1.22 -4.98 121.76 114.30 2x9s s ALA 10 Ca 0.00 -1.31 0.08 0.00 0.00 0.00 0.00 51.96 50.73 2x9s s ALA 10 Cb 0.00 0.92 -0.01 0.00 0.00 0.00 0.00 23.12 24.03 2x9s s ALA 10 CO 0.00 -0.42 0.39 -1.25 0.00 0.00 0.00 175.76 174.48 2x9s s PRO 11 N -3.59 2.49 0.00 0.00 0.04 -1.26 -1.60 135.00 131.07 2x9s s PRO 11 Ca 0.25 -1.60 0.00 0.00 0.04 0.00 0.00 61.00 59.69 2x9s s PRO 11 Cb 0.01 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2x9s s PRO 11 CO 0.18 -0.26 0.00 1.33 0.04 0.00 0.00 177.00 178.29 2x9s n VAL 12 N -1.59 0.00 -1.52 -0.36 0.24 0.92 -4.67 118.33 111.36 2x9s n VAL 12 Ca 0.03 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 2x9s n VAL 12 Cb 0.62 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 2x9s n VAL 12 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2x9s n LEU 13 N 0.00 -1.94 -3.60 1.34 4.77 -1.26 -4.94 117.00 111.37 2x9s n LEU 13 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 2x9s n LEU 13 Cb 0.00 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.57 2x9s n LEU 13 CO 0.00 0.00 0.95 -0.94 -1.33 0.00 0.00 177.39 176.07 2x9s s SER 14 N -2.97 -0.20 0.23 -1.43 1.04 -1.26 -5.00 113.70 104.11 2x9s s SER 14 Ca 0.00 0.15 -0.09 0.00 0.48 0.00 0.00 55.95 56.49 2x9s s SER 14 Cb 0.00 0.18 0.37 0.00 0.10 0.00 0.00 66.02 66.66 2x9s s SER 14 CO 0.00 -0.23 1.64 -0.33 0.98 0.00 0.00 173.24 175.30 2x9s h GLU 15 N 2.21 0.09 -0.90 4.02 3.07 -2.00 0.15 114.58 121.21 2x9s h GLU 15 Ca -0.13 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.77 2x9s h GLU 15 Cb 1.18 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 29.01 2x9s h GLU 15 CO 0.26 0.06 0.59 -0.22 -1.40 0.00 0.00 179.01 178.30 2x9s h LYS 16 N 0.09 1.09 0.87 2.33 3.64 -2.00 -2.40 116.57 120.19 2x9s h LYS 16 Ca 0.37 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.65 2x9s h LYS 16 Cb 0.63 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2x9s h LYS 16 CO -0.63 0.72 -0.46 0.00 -2.27 0.00 0.00 179.45 176.81 2x9s h ALA 17 N 1.48 -1.31 -0.23 5.00 0.00 -1.10 -3.20 119.26 119.89 2x9s h ALA 17 Ca 0.36 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2x9s h ALA 17 Cb 0.04 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2x9s h ALA 17 CO -0.11 -1.24 -0.07 1.88 0.00 0.00 0.00 179.25 179.71 2x9s h TYR 18 N -1.22 -0.16 -1.22 0.00 0.05 -1.39 -2.14 116.97 110.88 2x9s h TYR 18 Ca -0.12 0.02 0.35 0.00 0.05 0.00 0.00 58.73 59.04 2x9s h TYR 18 Cb 0.95 0.11 -0.05 0.00 1.01 0.00 0.00 36.73 38.75 2x9s h TYR 18 CO -0.03 -0.12 1.16 0.00 -1.05 0.00 0.00 178.16 178.12 2x9s n ALA 19 N -2.48 1.17 1.17 3.88 0.00 -0.91 0.21 120.51 123.54 2x9s n ALA 19 Ca -0.02 0.40 0.13 0.00 0.00 0.00 0.00 53.44 53.95 2x9s n ALA 19 Cb 0.16 -0.70 0.33 0.00 0.00 0.00 0.00 19.45 19.24 2x9s n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9s n GLY 20 N -1.69 -0.78 0.22 0.00 0.00 -0.80 -3.94 105.19 98.19 2x9s n GLY 20 Ca 0.27 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.95 2x9s n GLY 20 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2x9s h PHE 21 N 0.88 0.00 -0.30 1.61 0.05 0.24 -1.76 116.94 117.66 2x9s h PHE 21 Ca 0.00 0.00 0.07 0.00 3.82 0.00 0.00 57.97 61.86 2x9s h PHE 21 Cb 0.51 0.00 -0.08 0.00 2.00 0.00 0.00 35.95 38.38 2x9s h PHE 21 CO 0.00 0.21 -0.23 0.00 -0.18 0.00 0.00 178.31 178.11 2x9s h ALA 22 N 1.79 -0.06 -4.59 2.45 0.00 -1.72 -3.40 119.26 113.73 2x9s h ALA 22 Ca -0.00 0.10 -0.44 0.00 0.00 0.00 0.00 54.91 54.56 2x9s h ALA 22 Cb 0.38 0.50 0.13 0.00 0.00 0.00 0.00 17.79 18.81 2x9s h ALA 22 CO 0.03 -0.64 0.29 0.39 0.00 0.00 0.00 179.25 179.32 2x9s n GLU 23 N -5.38 -0.78 -1.31 0.00 1.02 -1.00 -4.92 120.64 108.29 2x9s n GLU 23 Ca 0.00 -2.33 -0.26 0.00 -0.02 0.00 0.00 57.16 54.55 2x9s n GLU 23 Cb 0.29 -1.05 -0.09 0.00 -0.02 0.00 0.00 31.44 30.57 2x9s n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x9s n GLY 24 N -3.18 3.90 3.07 0.62 0.00 -1.26 -4.85 105.19 103.48 2x9s n GLY 24 Ca 0.16 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 2x9s n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x9s s LYS 25 N 0.62 1.81 -0.06 1.61 1.02 -0.70 -0.15 119.74 123.88 2x9s s LYS 25 Ca 0.65 -1.74 0.01 0.00 0.02 0.00 0.00 55.97 54.91 2x9s s LYS 25 Cb 0.27 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 34.28 2x9s s LYS 25 CO -0.07 -0.90 -0.08 0.71 -0.92 0.00 0.00 175.35 174.09 2x9s s TYR 26 N 1.02 2.89 -0.06 3.18 1.51 -0.87 -3.44 117.35 121.58 2x9s s TYR 26 Ca 0.06 -0.01 0.05 0.00 -1.01 0.00 0.00 57.07 56.16 2x9s s TYR 26 Cb -0.20 -1.70 -0.01 0.00 -0.11 0.00 0.00 41.96 39.94 2x9s s TYR 26 CO -0.06 0.30 -0.22 0.95 -1.11 0.00 0.00 175.55 175.41 2x9s s THR 27 N -0.79 1.83 0.23 -0.71 -4.23 -1.26 -0.01 115.64 110.70 2x9s s THR 27 Ca 0.12 -0.93 0.10 0.00 -1.18 0.00 0.00 61.69 59.79 2x9s s THR 27 Cb -0.11 -1.56 -0.05 0.00 1.34 0.00 0.00 72.50 72.12 2x9s s THR 27 CO 0.01 0.51 -0.18 -0.36 -0.54 0.00 0.00 174.62 174.07 2x9s s PHE 28 N -0.03 1.98 0.06 3.99 0.40 0.12 -0.05 117.98 124.45 2x9s s PHE 28 Ca -0.06 -0.45 -0.24 0.00 -0.60 0.00 0.00 56.93 55.59 2x9s s PHE 28 Cb -0.14 -0.90 -0.06 0.00 0.51 0.00 0.00 43.02 42.43 2x9s s PHE 28 CO 0.04 0.51 0.72 -1.58 0.70 0.00 0.00 175.22 175.60 2x9s s TRP 29 N -2.61 3.76 0.06 0.36 0.23 -0.63 -1.31 118.94 118.80 2x9s s TRP 29 Ca 0.25 1.43 -0.01 0.00 -2.03 0.00 0.00 56.10 55.73 2x9s s TRP 29 Cb -0.03 -2.74 -0.04 0.00 0.03 0.00 0.00 33.47 30.69 2x9s s TRP 29 CO 0.10 0.36 -0.03 0.14 0.96 0.00 0.00 176.95 178.48 2x9s s VAL 30 N -0.36 0.26 -0.30 4.03 -7.23 0.34 -1.15 120.40 115.99 2x9s s VAL 30 Ca 0.36 -1.83 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 2x9s s VAL 30 Cb -0.20 -1.59 -0.07 0.00 0.56 0.00 0.00 36.38 35.08 2x9s s VAL 30 CO 0.22 -0.94 2.25 1.57 -0.31 0.00 0.00 175.10 177.89 2x9s n HIS 31 N 0.08 1.78 -0.55 2.82 -0.00 -0.73 -3.98 115.22 114.64 2x9s n HIS 31 Ca -0.13 0.01 0.41 0.00 0.46 0.00 0.00 57.72 58.47 2x9s n HIS 31 Cb 0.61 -2.67 0.63 0.00 -0.12 0.00 0.00 29.99 28.45 2x9s n HIS 31 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2x9s n PRO 32 N 8.67 -0.00 0.00 1.57 -0.04 -1.26 0.12 135.00 144.06 2x9s n PRO 32 Ca 0.34 0.84 0.14 0.00 -0.04 0.00 0.00 63.50 64.78 2x9s n PRO 32 Cb 0.40 -1.93 0.53 0.00 -0.04 0.00 0.00 33.50 32.46 2x9s n PRO 32 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2x9s n LYS 33 N -3.50 0.80 -1.88 0.54 4.76 -1.26 -4.92 118.16 112.70 2x9s n LYS 33 Ca 0.34 -0.37 -0.41 0.00 -2.87 0.00 0.00 58.31 55.01 2x9s n LYS 33 Cb 1.55 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 33.24 2x9s n LYS 33 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2x9s s ALA 34 N -2.45 3.62 0.33 7.82 0.00 0.33 -5.01 121.76 126.40 2x9s s ALA 34 Ca 0.28 1.49 -0.05 0.00 0.00 0.00 0.00 51.96 53.68 2x9s s ALA 34 Cb 0.20 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 2x9s s ALA 34 CO 0.48 -0.93 0.61 0.99 0.00 0.00 0.00 175.76 176.91 2x9s s THR 35 N -0.63 4.99 0.33 0.00 2.01 -1.26 -4.93 115.64 116.14 2x9s s THR 35 Ca 0.56 0.10 0.09 0.00 0.31 0.00 0.00 61.69 62.75 2x9s s THR 35 Cb -0.45 -3.76 0.32 0.00 0.01 0.00 0.00 72.50 68.62 2x9s s THR 35 CO 0.54 -0.42 1.78 0.11 -0.69 0.00 0.00 174.62 175.94 2x9s h LYS 36 N 1.39 0.65 -0.02 4.92 1.79 -1.95 -0.65 116.57 122.70 2x9s h LYS 36 Ca -0.48 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 57.95 2x9s h LYS 36 Cb 1.19 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.70 2x9s h LYS 36 CO 0.65 0.43 -0.01 1.15 -1.08 0.00 0.00 179.45 180.59 2x9s h THR 37 N 0.67 1.32 -0.52 -0.16 2.02 -1.98 -2.23 112.91 112.03 2x9s h THR 37 Ca 0.57 -0.97 0.07 0.00 0.77 0.00 0.00 66.41 66.86 2x9s h THR 37 Cb 1.01 1.93 -0.06 0.00 -1.74 0.00 0.00 68.15 69.30 2x9s h THR 37 CO -0.35 0.26 0.18 -0.33 0.37 0.00 0.00 175.52 175.65 2x9s h GLU 38 N -0.35 0.35 0.10 6.66 5.08 -1.62 -1.98 114.58 122.83 2x9s h GLU 38 Ca 0.01 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2x9s h GLU 38 Cb 0.42 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 2x9s h GLU 38 CO 0.00 0.23 -0.26 0.82 -1.00 0.00 0.00 179.01 178.80 2x9s h ILE 39 N 0.36 0.42 0.00 3.13 1.08 -1.17 -0.48 117.51 120.84 2x9s h ILE 39 Ca 0.25 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.72 2x9s h ILE 39 Cb 0.28 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 34.45 2x9s h ILE 39 CO -0.26 0.00 0.00 1.17 -0.69 0.00 0.00 178.15 178.37 2x9s n LYS 40 N -5.38 0.00 -0.42 2.37 4.81 -0.84 0.30 118.16 118.99 2x9s n LYS 40 Ca -0.06 0.47 0.35 0.00 -0.87 0.00 0.00 58.31 58.20 2x9s n LYS 40 Cb 0.29 -1.11 0.66 0.00 0.02 0.00 0.00 35.03 34.90 2x9s n LYS 40 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 2x9s h ASN 41 N 0.00 0.20 -0.06 3.14 -0.26 -1.39 0.18 115.58 117.39 2x9s h ASN 41 Ca 0.00 0.07 -0.10 0.00 -0.56 0.00 0.00 56.30 55.71 2x9s h ASN 41 Cb 0.00 0.05 0.01 0.00 -1.06 0.00 0.00 38.32 37.32 2x9s h ASN 41 CO 0.00 -0.05 -0.37 0.00 -1.06 0.00 0.00 177.43 175.95 2x9s h ALA 42 N 1.48 0.12 0.00 -0.83 0.00 -0.32 -2.12 119.26 117.58 2x9s h ALA 42 Ca 0.73 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2x9s h ALA 42 Cb 2.42 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 20.20 2x9s h ALA 42 CO -0.24 0.22 -0.29 0.28 0.00 0.00 0.00 179.25 179.22 2x9s h VAL 43 N -0.15 1.06 0.31 0.00 2.07 0.18 -2.14 116.25 117.57 2x9s h VAL 43 Ca -0.03 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 2x9s h VAL 43 Cb 1.03 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2x9s h VAL 43 CO 0.08 0.28 -0.15 -0.33 0.02 0.00 0.00 177.57 177.47 2x9s h GLU 44 N 0.00 -0.40 0.00 1.57 5.08 -1.16 -2.36 114.58 117.32 2x9s h GLU 44 Ca -0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2x9s h GLU 44 Cb 0.56 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2x9s h GLU 44 CO 0.04 -0.06 0.00 0.25 -1.00 0.00 0.00 179.01 178.23 2x9s n THR 45 N -5.08 0.50 -0.05 1.13 -2.24 -0.80 0.19 114.28 107.92 2x9s n THR 45 Ca -0.09 0.12 -0.02 0.00 -2.27 0.00 0.00 64.05 61.80 2x9s n THR 45 Cb 0.27 -0.92 -0.11 0.00 -2.10 0.00 0.00 70.33 67.47 2x9s n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2x9s n ALA 46 N -1.21 1.95 -2.56 6.98 0.00 -0.81 -4.60 120.51 120.26 2x9s n ALA 46 Ca 0.07 -0.72 -0.01 0.00 0.00 0.00 0.00 53.44 52.78 2x9s n ALA 46 Cb 0.08 -0.19 0.05 0.00 0.00 0.00 0.00 19.45 19.40 2x9s n ALA 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2x9s n PHE 47 N -2.34 0.96 -2.28 0.00 3.01 -0.89 -5.03 117.46 110.89 2x9s n PHE 47 Ca -0.16 -1.61 0.00 0.00 1.01 0.00 0.00 57.45 56.69 2x9s n PHE 47 Cb 0.76 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 2x9s n PHE 47 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2x9s n LYS 48 N -0.31 -0.68 -3.74 -1.08 5.02 0.13 -4.87 118.16 112.63 2x9s n LYS 48 Ca 0.12 -0.29 -0.22 0.00 -2.02 0.00 0.00 58.31 55.90 2x9s n LYS 48 Cb 0.92 0.52 -0.04 0.00 -0.02 0.00 0.00 35.03 36.41 2x9s n LYS 48 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2x9s n VAL 49 N -0.60 0.00 -3.70 -0.18 0.24 -1.21 -5.05 118.33 107.83 2x9s n VAL 49 Ca 0.00 -1.60 -0.37 0.00 -2.04 0.00 0.00 64.34 60.33 2x9s n VAL 49 Cb 0.00 0.28 -0.10 0.00 -1.47 0.00 0.00 33.84 32.56 2x9s n VAL 49 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2x9s s LYS 50 N -3.25 2.39 -0.02 7.34 2.36 -1.26 -4.63 119.74 122.67 2x9s s LYS 50 Ca 0.02 -2.15 -0.30 0.00 -2.55 0.00 0.00 55.97 50.98 2x9s s LYS 50 Cb -0.00 -3.74 -0.05 0.00 -1.05 0.00 0.00 37.83 32.99 2x9s s LYS 50 CO 0.01 -1.15 1.36 0.08 1.55 0.00 0.00 175.35 177.20 2x9s s VAL 51 N 0.60 3.83 -0.03 4.02 1.01 -1.26 0.91 120.40 129.48 2x9s s VAL 51 Ca 0.12 1.20 0.11 0.00 0.00 0.00 0.00 61.98 63.41 2x9s s VAL 51 Cb -0.22 -3.77 -0.17 0.00 0.00 0.00 0.00 36.38 32.22 2x9s s VAL 51 CO -0.04 -0.01 0.22 0.52 0.00 0.00 0.00 175.10 175.80 2x9s n VAL 52 N 4.68 0.13 -3.64 2.92 0.31 -0.12 -4.88 118.33 117.72 2x9s n VAL 52 Ca 0.13 -0.30 -0.08 0.00 -0.01 0.00 0.00 64.34 64.08 2x9s n VAL 52 Cb 0.44 0.07 -0.07 0.00 -0.91 0.00 0.00 33.84 33.37 2x9s n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2x9s s LYS 53 N -2.72 0.64 -0.05 5.55 2.36 -1.21 -5.00 119.74 119.30 2x9s s LYS 53 Ca -0.04 0.96 0.04 0.00 -2.55 0.00 0.00 55.97 54.38 2x9s s LYS 53 Cb 0.07 0.20 -0.00 0.00 -1.05 0.00 0.00 37.83 37.05 2x9s s LYS 53 CO 0.48 -0.11 -0.19 0.08 1.55 0.00 0.00 175.35 177.16 2x9s s VAL 54 N 1.07 1.59 0.00 4.02 1.01 -1.26 0.06 120.40 126.89 2x9s s VAL 54 Ca -0.05 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.21 2x9s s VAL 54 Cb -0.05 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 2x9s s VAL 54 CO -0.12 0.45 -0.25 0.20 0.00 0.00 0.00 175.10 175.39 2x9s s ASN 55 N 0.09 2.90 0.07 3.32 0.02 -0.61 -4.98 114.94 115.75 2x9s s ASN 55 Ca -0.06 -0.48 0.01 0.00 -1.02 0.00 0.00 52.86 51.31 2x9s s ASN 55 Cb -0.13 -0.30 -0.04 0.00 0.02 0.00 0.00 41.25 40.80 2x9s s ASN 55 CO 0.03 0.28 -0.06 0.42 0.02 0.00 0.00 177.10 177.79 2x9s s THR 56 N -0.64 0.55 -0.25 1.60 -4.23 -1.26 -0.27 115.64 111.13 2x9s s THR 56 Ca 0.10 -1.65 -0.25 0.00 -1.18 0.00 0.00 61.69 58.70 2x9s s THR 56 Cb -0.09 -1.31 0.07 0.00 1.34 0.00 0.00 72.50 72.50 2x9s s THR 56 CO -0.00 -0.75 0.73 -1.48 -0.54 0.00 0.00 174.62 172.57 2x9s s LEU 57 N -2.58 -0.73 0.45 4.79 -0.00 -1.01 -5.02 118.68 114.57 2x9s s LEU 57 Ca 0.04 1.37 -0.17 0.00 -0.00 0.00 0.00 54.13 55.37 2x9s s LEU 57 Cb 0.01 2.45 -0.09 0.00 -0.00 0.00 0.00 46.19 48.56 2x9s s LEU 57 CO -0.04 -0.27 0.91 -1.00 -0.00 0.00 0.00 176.35 175.95 2x9s s HIS 58 N 0.25 3.39 -0.30 3.48 3.76 -1.26 -1.97 115.29 122.65 2x9s s HIS 58 Ca -0.01 1.43 0.00 0.00 -0.15 0.00 0.00 55.06 56.34 2x9s s HIS 58 Cb -0.05 -2.73 0.09 0.00 1.11 0.00 0.00 32.58 31.00 2x9s s HIS 58 CO 0.01 -0.18 0.06 0.08 -0.85 0.00 0.00 174.74 173.86 2x9s s VAL 59 N -2.35 1.22 0.35 -0.90 1.01 0.41 -4.91 120.40 115.23 2x9s s VAL 59 Ca 0.58 -1.51 -0.27 0.00 0.00 0.00 0.00 61.98 60.78 2x9s s VAL 59 Cb -0.10 -1.85 -0.12 0.00 0.00 0.00 0.00 36.38 34.32 2x9s s VAL 59 CO 0.23 -0.55 1.27 -1.14 0.00 0.00 0.00 175.10 174.90 2x9s n ARG 60 N 4.72 2.04 -2.77 2.72 0.63 -1.26 -1.24 116.66 121.50 2x9s n ARG 60 Ca -0.03 0.72 -0.39 0.00 -0.92 0.00 0.00 57.85 57.23 2x9s n ARG 60 Cb 0.43 -2.31 -0.06 0.00 0.45 0.00 0.00 32.46 30.97 2x9s n ARG 60 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2x9s s GLY 61 N -0.37 3.01 0.36 5.14 0.00 -1.26 -4.83 107.32 109.37 2x9s s GLY 61 Ca 0.57 0.58 -0.25 0.00 0.00 0.00 0.00 44.72 45.61 2x9s s GLY 61 CO 0.61 1.11 1.01 0.54 0.00 0.00 0.00 173.10 176.37 2x9s s LYS 62 N -1.47 4.38 -0.37 2.90 1.02 -1.26 -4.64 119.74 120.30 2x9s s LYS 62 Ca 0.44 1.47 -0.17 0.00 0.02 0.00 0.00 55.97 57.72 2x9s s LYS 62 Cb -0.23 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 2x9s s LYS 62 CO 0.29 0.07 0.46 -1.59 -0.92 0.00 0.00 175.35 173.66 2x9s s LYS 63 N -2.22 3.43 0.51 1.68 -2.85 -1.26 -1.08 119.74 117.95 2x9s s LYS 63 Ca 0.53 -0.42 0.08 0.00 -1.00 0.00 0.00 55.97 55.17 2x9s s LYS 63 Cb -0.22 -3.86 0.05 0.00 -2.06 0.00 0.00 37.83 31.74 2x9s s LYS 63 CO 0.27 -0.70 0.63 0.15 0.10 0.00 0.00 175.35 175.81 2x9s s LYS 64 N 2.25 2.48 0.33 1.78 1.02 -0.20 -4.93 119.74 122.47 2x9s s LYS 64 Ca 0.15 -1.55 0.07 0.00 0.02 0.00 0.00 55.97 54.65 2x9s s LYS 64 Cb -0.16 -2.59 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 2x9s s LYS 64 CO 0.13 -0.58 0.31 -2.13 -0.92 0.00 0.00 175.35 172.16 2x9s n ARG 65 N -1.99 0.45 0.00 1.68 0.63 -1.26 -1.25 116.66 114.91 2x9s n ARG 65 Ca 0.10 -3.26 0.00 0.00 -0.92 0.00 0.00 57.85 53.77 2x9s n ARG 65 Cb 0.61 2.73 0.00 0.00 0.45 0.00 0.00 32.46 36.25 2x9s n ARG 65 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2x9s n LEU 66 N 0.00 0.00 0.00 6.15 0.00 -0.91 -4.99 117.00 117.25 2x9s n LEU 66 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.08 2x9s n LEU 66 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.02 2x9s n LEU 66 CO 0.31 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.31 2x9s n GLY 67 N 0.00 -0.40 0.10 -3.96 0.00 -1.26 -3.49 105.19 96.18 2x9s n GLY 67 Ca 0.00 -1.38 0.08 0.00 0.00 0.00 0.00 46.02 44.72 2x9s n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2x9s n ARG 68 N 0.00 1.13 -3.32 1.61 1.85 -1.26 -4.65 116.66 112.02 2x9s n ARG 68 Ca 0.00 -0.19 -0.44 0.00 -1.00 0.00 0.00 57.85 56.22 2x9s n ARG 68 Cb 0.00 -1.27 -0.07 0.00 -1.05 0.00 0.00 32.46 30.06 2x9s n ARG 68 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2x9s s TYR 69 N -1.96 3.18 -0.10 2.89 1.51 -1.23 -5.06 117.35 116.59 2x9s s TYR 69 Ca 0.25 -0.73 -0.03 0.00 -1.01 0.00 0.00 57.07 55.55 2x9s s TYR 69 Cb 0.12 -3.22 -0.03 0.00 -0.11 0.00 0.00 41.96 38.72 2x9s s TYR 69 CO 0.20 -0.85 0.03 -1.17 -1.11 0.00 0.00 175.55 172.65 2x9s s LEU 70 N 2.00 3.73 0.00 -1.29 0.20 -1.26 -2.15 118.68 119.91 2x9s s LEU 70 Ca 0.08 0.20 -0.03 0.00 0.69 0.00 0.00 54.13 55.07 2x9s s LEU 70 Cb -0.22 -1.87 0.01 0.00 -0.43 0.00 0.00 46.19 43.69 2x9s s LEU 70 CO 0.09 0.38 0.19 0.61 -0.29 0.00 0.00 176.35 177.33 2x9s n GLY 71 N 2.17 1.80 3.28 7.98 0.00 -0.38 -5.02 105.19 115.02 2x9s n GLY 71 Ca -0.19 -1.09 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 2x9s n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x9s s LYS 72 N -2.03 1.10 0.26 1.61 3.01 -1.26 -1.04 119.74 121.39 2x9s s LYS 72 Ca 0.04 -1.17 -0.10 0.00 -1.01 0.00 0.00 55.97 53.73 2x9s s LYS 72 Cb -0.01 -1.31 -0.07 0.00 -1.01 0.00 0.00 37.83 35.43 2x9s s LYS 72 CO 0.03 0.30 0.59 1.03 0.51 0.00 0.00 175.35 177.81 2x9s s ARG 73 N -2.01 3.81 0.38 1.68 0.52 -0.24 -4.88 118.95 118.20 2x9s s ARG 73 Ca 0.07 0.31 -0.24 0.00 -0.52 0.00 0.00 55.73 55.34 2x9s s ARG 73 Cb -0.09 -2.60 -0.13 0.00 0.52 0.00 0.00 34.95 32.65 2x9s s ARG 73 CO 0.04 0.26 0.71 -0.35 0.02 0.00 0.00 175.30 175.99 2x9s n PRO 74 N -0.33 0.80 -2.91 3.54 -0.04 -1.26 -4.22 135.00 130.58 2x9s n PRO 74 Ca 0.01 0.29 -0.38 0.00 -0.04 0.00 0.00 63.50 63.37 2x9s n PRO 74 Cb 0.53 -1.62 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 2x9s n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2x9s s ASP 75 N -0.84 7.36 0.34 3.54 1.11 -1.26 -4.25 116.67 122.66 2x9s s ASP 75 Ca 0.62 1.71 0.03 0.00 0.18 0.00 0.00 52.55 55.10 2x9s s ASP 75 Cb -0.64 -2.52 -0.05 0.00 1.07 0.00 0.00 42.92 40.77 2x9s s ASP 75 CO 0.58 0.09 0.08 -0.13 1.18 0.00 0.00 175.17 176.97 2x9s s ARG 76 N -1.56 1.71 -0.01 8.23 3.00 -0.38 -4.94 118.95 125.00 2x9s s ARG 76 Ca 0.42 -1.98 0.00 0.00 0.00 0.00 0.00 55.73 54.17 2x9s s ARG 76 Cb -0.21 -0.77 0.02 0.00 0.00 0.00 0.00 34.95 33.99 2x9s s ARG 76 CO 0.26 -0.27 0.01 0.21 0.00 0.00 0.00 175.30 175.51 2x9s s LYS 77 N -3.86 0.03 -0.01 3.54 2.20 -1.26 0.16 119.74 120.54 2x9s s LYS 77 Ca 0.33 0.10 0.06 0.00 -0.36 0.00 0.00 55.97 56.09 2x9s s LYS 77 Cb 0.07 -0.19 -0.01 0.00 -1.51 0.00 0.00 37.83 36.18 2x9s s LYS 77 CO 0.15 -0.10 -0.18 -1.59 -0.36 0.00 0.00 175.35 173.27 2x9s s LYS 78 N 0.66 1.43 0.08 4.03 -2.85 -0.83 -0.50 119.74 121.75 2x9s s LYS 78 Ca -0.06 -0.65 0.09 0.00 -1.00 0.00 0.00 55.97 54.35 2x9s s LYS 78 Cb -0.08 -1.39 -0.03 0.00 -2.06 0.00 0.00 37.83 34.26 2x9s s LYS 78 CO -0.02 0.38 -0.25 0.00 0.10 0.00 0.00 175.35 175.56 2x9s s ALA 79 N -0.45 2.19 -0.26 0.59 0.00 -0.43 -2.42 121.76 120.99 2x9s s ALA 79 Ca 0.07 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.74 2x9s s ALA 79 Cb -0.07 -0.41 0.05 0.00 0.00 0.00 0.00 23.12 22.69 2x9s s ALA 79 CO -0.01 0.50 -0.10 -1.50 0.00 0.00 0.00 175.76 174.66 2x9s s ILE 80 N -0.91 2.36 -0.14 0.00 -1.16 0.63 0.12 121.20 122.10 2x9s s ILE 80 Ca 0.11 -1.45 -0.15 0.00 -0.51 0.00 0.00 60.65 58.66 2x9s s ILE 80 Cb -0.10 -2.32 -0.05 0.00 0.61 0.00 0.00 42.46 40.61 2x9s s ILE 80 CO 0.03 0.05 0.34 0.68 -2.81 0.00 0.00 174.94 173.23 2x9s s VAL 81 N 1.17 5.27 -0.24 4.00 -7.23 0.99 -1.58 120.40 122.79 2x9s s VAL 81 Ca -0.06 0.65 -0.15 0.00 -1.81 0.00 0.00 61.98 60.61 2x9s s VAL 81 Cb -0.19 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.04 2x9s s VAL 81 CO -0.05 0.39 0.37 -1.58 -0.31 0.00 0.00 175.10 173.92 2x9s s GLN 82 N 0.39 4.09 0.17 4.82 2.00 0.11 -2.06 119.66 129.18 2x9s s GLN 82 Ca 0.19 0.10 -0.13 0.00 -2.00 0.00 0.00 55.36 53.52 2x9s s GLN 82 Cb -0.14 -3.59 -0.07 0.00 0.80 0.00 0.00 33.01 30.01 2x9s s GLN 82 CO 0.06 -0.15 0.54 0.08 -0.50 0.00 0.00 175.29 175.32 2x9s s VAL 83 N 1.68 4.89 0.50 1.34 1.01 0.79 -0.95 120.40 129.65 2x9s s VAL 83 Ca 0.16 0.70 -0.20 0.00 0.00 0.00 0.00 61.98 62.65 2x9s s VAL 83 Cb -0.15 -3.69 -0.11 0.00 0.00 0.00 0.00 36.38 32.43 2x9s s VAL 83 CO 0.09 0.14 0.48 0.00 0.00 0.00 0.00 175.10 175.81 2x9s n ALA 84 N 0.51 -1.43 -1.69 5.51 0.00 0.26 -4.66 120.51 119.01 2x9s n ALA 84 Ca -0.04 0.06 -0.43 0.00 0.00 0.00 0.00 53.44 53.03 2x9s n ALA 84 Cb 0.52 -1.77 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 2x9s n ALA 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2x9s n PRO 85 N 0.37 2.71 0.00 0.00 -0.04 -1.26 -2.35 135.00 134.44 2x9s n PRO 85 Ca 0.11 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.56 2x9s n PRO 85 Cb 0.44 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 2x9s n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2x9s n GLY 86 N 4.19 1.90 3.96 0.55 0.00 -1.26 -5.08 105.19 109.45 2x9s n GLY 86 Ca 0.18 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2x9s n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2x9s s GLN 87 N 0.00 1.68 0.13 1.61 -0.21 -0.99 -5.11 119.66 116.77 2x9s s GLN 87 Ca 0.00 -0.68 -0.25 0.00 0.02 0.00 0.00 55.36 54.45 2x9s s GLN 87 Cb 0.00 -2.20 0.07 0.00 1.00 0.00 0.00 33.01 31.88 2x9s s GLN 87 CO 0.00 -1.53 0.76 -1.59 -2.12 0.00 0.00 175.29 170.82 2x9s s LYS 88 N -5.30 1.22 -0.65 2.91 -2.85 -1.26 -4.89 119.74 108.92 2x9s s LYS 88 Ca 0.65 -0.54 -0.09 0.00 -1.00 0.00 0.00 55.97 54.99 2x9s s LYS 88 Cb -0.07 0.50 0.17 0.00 -2.06 0.00 0.00 37.83 36.37 2x9s s LYS 88 CO 0.46 -0.54 0.53 0.42 0.10 0.00 0.00 175.35 176.32 2x9s s ILE 89 N -3.52 4.61 0.24 3.79 1.01 -1.26 -4.96 121.20 121.12 2x9s s ILE 89 Ca 0.06 -2.38 -0.09 0.00 0.00 0.00 0.00 60.65 58.23 2x9s s ILE 89 Cb -0.02 -3.94 0.37 0.00 0.01 0.00 0.00 42.46 38.88 2x9s s ILE 89 CO -0.06 -0.90 1.42 -0.62 0.00 0.00 0.00 174.94 174.78 2x9s n GLU 90 N 4.15 -0.11 -0.21 2.79 -0.58 -1.26 -0.54 120.64 124.88 2x9s n GLU 90 Ca 0.04 1.42 -0.00 0.00 -0.42 0.00 0.00 57.16 58.20 2x9s n GLU 90 Cb 0.42 -2.11 0.07 0.00 -0.57 0.00 0.00 31.44 29.24 2x9s n GLU 90 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2x9s h ALA 91 N 1.69 0.45 0.00 0.62 0.00 -2.00 0.44 119.26 120.46 2x9s h ALA 91 Ca 0.41 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.56 2x9s h ALA 91 Cb 0.64 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2x9s h ALA 91 CO -0.93 -0.42 0.00 1.28 0.00 0.00 0.00 179.25 179.18 2x9s n LEU 92 N -5.41 1.58 -4.24 0.00 4.77 0.30 -4.43 117.00 109.58 2x9s n LEU 92 Ca 0.08 -0.79 -0.41 0.00 -0.03 0.00 0.00 56.01 54.85 2x9s n LEU 92 Cb 0.33 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 2x9s n LEU 92 CO 0.06 0.30 0.54 -1.61 -1.33 0.00 0.00 177.39 175.35 2x9s s GLU 93 N -0.48 3.70 0.03 3.23 0.41 0.15 -4.50 118.70 121.24 2x9s s GLU 93 Ca 0.00 -3.12 0.00 0.00 -0.41 0.00 0.00 54.97 51.44 2x9s s GLU 93 Cb 0.00 -4.27 0.00 0.00 -1.78 0.00 0.00 34.13 28.08 2x9s s GLU 93 CO 0.00 -1.25 0.00 0.41 -0.49 0.00 0.00 175.26 173.93 2x9s n GLY 94 N 2.76 -1.96 0.00 -1.39 0.00 -1.26 -5.07 105.19 98.27 2x9s n GLY 94 Ca 0.21 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.86 2x9s n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22