#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otj h VAL 2 N 0.00 1.52 -0.00 -1.45 -1.51 -1.99 -3.18 116.25 109.63 2otj h VAL 2 Ca 0.00 -2.79 0.00 0.00 -1.23 0.00 0.00 66.70 62.68 2otj h VAL 2 Cb 0.00 2.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.75 2otj h VAL 2 CO 0.00 0.81 -0.45 0.00 -1.23 0.00 0.00 177.57 176.70 2otj n TYR 3 N -3.60 0.00 -3.33 5.19 0.18 -1.26 -4.81 117.16 109.52 2otj n TYR 3 Ca -0.04 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.35 2otj n TYR 3 Cb 0.86 -0.17 -0.08 0.00 -0.38 0.00 0.00 39.34 39.57 2otj n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 2otj s VAL 4 N -2.80 5.15 -0.27 -3.48 1.01 -1.20 -4.87 120.40 113.94 2otj s VAL 4 Ca 0.16 0.75 0.02 0.00 0.00 0.00 0.00 61.98 62.91 2otj s VAL 4 Cb 0.18 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.82 2otj s VAL 4 CO 0.64 0.18 0.55 0.47 0.00 0.00 0.00 175.10 176.95 2otj n ASP 5 N 4.97 1.15 -3.70 3.32 8.00 -1.26 -4.76 116.55 124.27 2otj n ASP 5 Ca -0.07 -1.07 -0.14 0.00 0.71 0.00 0.00 54.79 54.22 2otj n ASP 5 Cb 0.51 0.03 -0.09 0.00 -0.02 0.00 0.00 41.12 41.55 2otj n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2otj s PHE 6 N -0.22 -0.46 -0.15 1.24 -0.12 -1.26 -5.13 117.98 111.88 2otj s PHE 6 Ca 0.03 1.02 -0.16 0.00 -0.05 0.00 0.00 56.93 57.76 2otj s PHE 6 Cb 0.02 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.55 2otj s PHE 6 CO 0.03 -0.33 0.41 0.34 -0.05 0.00 0.00 175.22 175.62 2otj s ASP 7 N -0.30 6.56 -0.32 1.98 2.15 -1.26 -4.98 116.67 120.50 2otj s ASP 7 Ca -0.05 0.66 -0.14 0.00 0.43 0.00 0.00 52.55 53.45 2otj s ASP 7 Cb -0.03 -2.24 -0.02 0.00 -0.30 0.00 0.00 42.92 40.32 2otj s ASP 7 CO 0.03 0.01 0.33 -0.69 -0.17 0.00 0.00 175.17 174.67 2otj s VAL 8 N 0.74 5.20 0.29 1.11 1.01 -1.26 -5.06 120.40 122.44 2otj s VAL 8 Ca 0.22 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 2otj s VAL 8 Cb -0.14 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.36 2otj s VAL 8 CO 0.08 -0.01 1.56 -2.65 0.00 0.00 0.00 175.10 174.08 2otj n PRO 9 N 5.30 2.60 -0.29 2.72 -0.02 -1.26 -4.80 135.00 139.24 2otj n PRO 9 Ca -0.10 0.92 0.02 0.00 -2.02 0.00 0.00 63.50 62.32 2otj n PRO 9 Cb 0.50 -2.68 0.07 0.00 -0.02 0.00 0.00 33.50 31.37 2otj n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2otj n ALA 10 N 1.96 0.05 -0.16 3.55 0.00 -1.26 -0.74 120.51 123.91 2otj n ALA 10 Ca 0.08 0.82 -0.03 0.00 0.00 0.00 0.00 53.44 54.31 2otj n ALA 10 Cb 0.36 -0.44 0.06 0.00 0.00 0.00 0.00 19.45 19.43 2otj n ALA 10 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2otj h ASP 11 N 0.00 0.19 -0.83 0.00 3.32 -2.00 -1.54 116.42 115.56 2otj h ASP 11 Ca 0.33 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.44 2otj h ASP 11 Cb 0.52 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 2otj h ASP 11 CO -0.79 0.14 0.54 0.25 -1.72 0.00 0.00 179.24 177.65 2otj h LEU 12 N 0.36 0.96 -0.76 1.55 6.46 -1.30 -1.55 115.31 121.03 2otj h LEU 12 Ca 0.23 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 2otj h LEU 12 Cb 0.24 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 39.89 2otj h LEU 12 CO -0.23 0.71 0.42 -0.08 -0.62 0.00 0.00 178.44 178.64 2otj h GLU 13 N 1.13 1.06 -0.06 1.25 4.81 -1.07 -1.78 114.58 119.92 2otj h GLU 13 Ca 0.30 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2otj h GLU 13 Cb -0.11 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.06 2otj h GLU 13 CO -0.06 0.78 0.04 -0.44 -0.73 0.00 0.00 179.01 178.60 2otj h ASP 14 N 1.06 0.07 -0.29 1.04 3.32 -0.60 0.04 116.42 121.06 2otj h ASP 14 Ca 0.27 -0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.37 2otj h ASP 14 Cb 0.03 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 2otj h ASP 14 CO -0.04 0.07 -0.12 0.44 -1.72 0.00 0.00 179.24 177.86 2otj h ASP 15 N 0.07 -0.42 -0.44 6.45 3.32 -1.03 -0.07 116.42 124.31 2otj h ASP 15 Ca 0.02 0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.20 2otj h ASP 15 Cb 0.01 0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 2otj h ASP 15 CO -0.00 -0.16 0.26 0.00 -1.72 0.00 0.00 179.24 177.62 2otj h ALA 16 N 1.18 0.56 -0.63 3.45 0.00 -1.04 -0.53 119.26 122.25 2otj h ALA 16 Ca 0.15 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2otj h ALA 16 Cb 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2otj h ALA 16 CO -0.34 -0.06 0.03 -0.07 0.00 0.00 0.00 179.25 178.80 2otj h LEU 17 N 0.52 1.06 0.05 0.00 3.38 -0.54 -0.12 115.31 119.67 2otj h LEU 17 Ca 0.18 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2otj h LEU 17 Cb 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2otj h LEU 17 CO -0.08 1.09 -0.10 -0.33 0.09 0.00 0.00 178.44 179.11 2otj h GLU 18 N 0.99 -0.20 -0.65 1.13 5.08 -0.66 -0.54 114.58 119.74 2otj h GLU 18 Ca 0.18 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.63 2otj h GLU 18 Cb 0.53 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 2otj h GLU 18 CO 0.03 -0.13 0.43 0.00 -1.00 0.00 0.00 179.01 178.34 2otj h ALA 19 N 0.72 1.82 -0.43 3.43 0.00 -0.90 -1.34 119.26 122.56 2otj h ALA 19 Ca 0.02 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2otj h ALA 19 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2otj h ALA 19 CO -0.07 0.07 -0.27 1.25 0.00 0.00 0.00 179.25 180.24 2otj h LEU 20 N 0.61 0.94 -0.12 0.00 5.85 -0.07 0.55 115.31 123.07 2otj h LEU 20 Ca 0.29 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2otj h LEU 20 Cb 0.34 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 2otj h LEU 20 CO -0.09 1.15 0.03 -0.33 -0.34 0.00 0.00 178.44 178.86 2otj h GLU 21 N 0.78 0.18 0.00 1.25 5.08 -0.03 -2.03 114.58 119.81 2otj h GLU 21 Ca 0.09 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2otj h GLU 21 Cb 0.83 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 2otj h GLU 21 CO 0.07 0.34 -0.14 -0.39 -1.00 0.00 0.00 179.01 177.89 2otj h VAL 22 N -0.01 0.38 -0.05 3.13 -1.51 -1.35 -2.19 116.25 114.65 2otj h VAL 22 Ca 0.04 -0.88 -0.11 0.00 -1.23 0.00 0.00 66.70 64.52 2otj h VAL 22 Cb 0.24 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 31.03 2otj h VAL 22 CO -0.00 0.14 -0.46 0.00 -1.23 0.00 0.00 177.57 176.02 2otj h ALA 23 N 1.86 1.14 -0.05 5.19 0.00 -0.46 -0.07 119.26 126.87 2otj h ALA 23 Ca -0.00 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.31 2otj h ALA 23 Cb 0.64 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2otj h ALA 23 CO 0.02 0.60 -0.71 0.07 0.00 0.00 0.00 179.25 179.23 2otj h ARG 24 N 0.10 0.26 0.21 0.00 0.11 -0.72 -2.08 114.38 112.25 2otj h ARG 24 Ca 0.00 -0.21 -0.35 0.00 0.10 0.00 0.00 59.98 59.52 2otj h ARG 24 Cb 0.85 0.04 0.02 0.00 1.11 0.00 0.00 29.97 31.99 2otj h ARG 24 CO 0.07 0.86 -1.68 -0.44 0.10 0.00 0.00 179.97 178.88 2otj h ASP 25 N 0.17 0.69 0.00 0.08 3.32 -1.41 -3.43 116.42 115.84 2otj h ASP 25 Ca -0.02 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.09 2otj h ASP 25 Cb 1.27 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2otj h ASP 25 CO 0.11 1.77 0.00 0.41 -1.72 0.00 0.00 179.24 179.81 2otj n THR 26 N -3.63 0.00 0.00 0.35 -1.04 -0.06 -5.00 114.28 104.90 2otj n THR 26 Ca -0.23 0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2otj n THR 26 Cb 1.09 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.79 2otj n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2otj n GLY 27 N 2.23 0.87 3.19 3.41 0.00 -0.83 -4.92 105.19 109.14 2otj n GLY 27 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 2otj n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otj s ALA 28 N -3.96 -0.60 0.04 4.61 0.00 -0.84 -4.67 121.76 116.33 2otj s ALA 28 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.11 2otj s ALA 28 Cb 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 2otj s ALA 28 CO 0.00 -0.24 -0.05 0.14 0.00 0.00 0.00 175.76 175.61 2otj s VAL 29 N -1.35 0.32 -0.19 0.00 -7.23 -1.26 -0.70 120.40 109.99 2otj s VAL 29 Ca -0.14 -1.14 -0.06 0.00 -1.81 0.00 0.00 61.98 58.83 2otj s VAL 29 Cb -0.06 -0.62 -0.03 0.00 0.56 0.00 0.00 36.38 36.22 2otj s VAL 29 CO 0.03 -0.54 0.03 -0.54 -0.31 0.00 0.00 175.10 173.78 2otj s LYS 30 N -1.93 3.80 -0.16 4.82 -0.14 0.31 -4.83 119.74 121.61 2otj s LYS 30 Ca -0.09 -0.43 -0.03 0.00 -1.36 0.00 0.00 55.97 54.05 2otj s LYS 30 Cb -0.07 -3.15 -0.02 0.00 -1.68 0.00 0.00 37.83 32.91 2otj s LYS 30 CO -0.02 0.16 -0.05 0.15 -0.76 0.00 0.00 175.35 174.83 2otj s LYS 31 N 0.66 3.61 0.00 1.68 1.02 -1.26 -0.76 119.74 124.69 2otj s LYS 31 Ca 0.01 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.46 2otj s LYS 31 Cb -0.14 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.28 2otj s LYS 31 CO 0.02 0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.05 2otj n GLY 32 N 3.66 2.55 0.37 -3.33 0.00 -0.75 -4.65 105.19 103.03 2otj n GLY 32 Ca -0.17 -1.43 0.13 0.00 0.00 0.00 0.00 46.02 44.55 2otj n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2otj h THR 33 N 0.00 0.74 -0.06 2.61 2.02 -1.93 -0.15 112.91 116.14 2otj h THR 33 Ca 0.00 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 2otj h THR 33 Cb 0.00 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.35 2otj h THR 33 CO 0.00 0.13 0.01 -1.13 0.37 0.00 0.00 175.52 174.90 2otj h ASN 34 N 0.74 0.09 0.12 4.18 -1.24 -1.92 -1.07 115.58 116.47 2otj h ASN 34 Ca 0.54 -0.26 -0.06 0.00 0.71 0.00 0.00 56.30 57.23 2otj h ASN 34 Cb 0.87 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.89 2otj h ASN 34 CO -0.31 0.33 -0.21 -0.33 -1.29 0.00 0.00 177.43 175.61 2otj h GLU 35 N -0.14 0.18 -0.26 6.67 5.08 -1.64 -2.42 114.58 122.05 2otj h GLU 35 Ca 0.02 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2otj h GLU 35 Cb 0.27 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2otj h GLU 35 CO 0.00 0.40 -0.09 1.15 -1.00 0.00 0.00 179.01 179.47 2otj h THR 36 N 0.17 1.29 -0.03 1.13 2.02 -0.93 -3.13 112.91 113.43 2otj h THR 36 Ca 0.03 -1.13 0.02 0.00 0.77 0.00 0.00 66.41 66.10 2otj h THR 36 Cb 0.48 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2otj h THR 36 CO 0.03 0.35 -0.07 0.74 0.37 0.00 0.00 175.52 176.95 2otj h THR 37 N 0.26 0.82 0.00 3.16 2.02 -0.79 -2.31 112.91 116.07 2otj h THR 37 Ca 0.06 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 2otj h THR 37 Cb 0.57 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2otj h THR 37 CO 0.03 0.00 -0.01 0.11 0.37 0.00 0.00 175.52 176.02 2otj h LYS 38 N -0.10 0.00 0.19 6.66 1.57 -1.51 -2.13 116.57 121.24 2otj h LYS 38 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2otj h LYS 38 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2otj h LYS 38 CO -0.09 0.01 -0.09 0.77 -0.57 0.00 0.00 179.45 179.48 2otj h SER 39 N 0.00 -0.21 -0.85 0.86 0.02 -1.36 0.21 113.55 112.21 2otj h SER 39 Ca -0.00 -0.27 0.13 0.00 -0.84 0.00 0.00 61.79 60.81 2otj h SER 39 Cb 0.03 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.56 2otj h SER 39 CO 0.00 0.19 0.55 0.40 -1.14 0.00 0.00 176.83 176.83 2otj h ILE 40 N -0.65 0.86 -0.01 3.27 2.04 -1.08 0.56 117.51 122.50 2otj h ILE 40 Ca -0.03 -0.23 -0.26 0.00 1.00 0.00 0.00 64.86 65.35 2otj h ILE 40 Cb 0.47 0.13 0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2otj h ILE 40 CO 0.04 0.12 -1.02 -0.33 0.00 0.00 0.00 178.15 176.97 2otj h GLU 41 N 0.67 0.66 0.00 2.37 5.08 -1.26 -3.15 114.58 118.94 2otj h GLU 41 Ca 0.42 -0.70 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2otj h GLU 41 Cb 0.67 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2otj h GLU 41 CO -0.18 1.29 -0.09 0.54 -1.00 0.00 0.00 179.01 179.57 2otj n ARG 42 N -3.84 0.04 0.00 2.33 1.74 0.71 -4.94 116.66 112.71 2otj n ARG 42 Ca -0.10 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 2otj n ARG 42 Cb 0.87 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 2otj n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2otj n GLY 43 N 1.47 3.12 0.38 -0.13 0.00 0.19 -4.91 105.19 105.31 2otj n GLY 43 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2otj n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2otj n SER 44 N 0.12 0.15 -4.58 1.61 3.41 -1.07 -4.67 113.62 108.58 2otj n SER 44 Ca 0.00 -0.40 -0.37 0.00 -0.26 0.00 0.00 58.87 57.84 2otj n SER 44 Cb 0.00 -0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 63.77 2otj n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2otj s ALA 45 N -1.25 3.44 -0.19 7.33 0.00 -1.24 -4.15 121.76 125.71 2otj s ALA 45 Ca 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 50.85 2otj s ALA 45 Cb 0.00 -2.26 -0.21 0.00 0.00 0.00 0.00 23.12 20.65 2otj s ALA 45 CO 0.00 -0.34 0.16 -1.91 0.00 0.00 0.00 175.76 173.67 2otj n GLU 46 N 4.61 0.66 -3.71 0.00 4.07 -0.67 -4.84 120.64 120.76 2otj n GLU 46 Ca -0.15 0.35 -0.11 0.00 -0.06 0.00 0.00 57.16 57.19 2otj n GLU 46 Cb 0.52 -1.67 -0.12 0.00 -0.06 0.00 0.00 31.44 30.11 2otj n GLU 46 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2otj s LEU 47 N -7.30 0.13 -0.04 4.31 2.96 -1.22 -4.26 118.68 113.24 2otj s LEU 47 Ca -0.28 0.70 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 2otj s LEU 47 Cb 0.08 1.02 -0.03 0.00 0.50 0.00 0.00 46.19 47.76 2otj s LEU 47 CO 0.66 -0.18 -0.13 0.68 -1.32 0.00 0.00 176.35 176.06 2otj s VAL 48 N 1.41 3.19 -0.06 1.68 -7.23 -0.45 0.10 120.40 119.04 2otj s VAL 48 Ca -0.09 -0.71 0.01 0.00 -1.81 0.00 0.00 61.98 59.38 2otj s VAL 48 Cb -0.10 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 2otj s VAL 48 CO -0.11 0.57 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.83 2otj s PHE 49 N -0.77 2.95 -0.07 2.82 0.40 0.27 -1.16 117.98 122.42 2otj s PHE 49 Ca 0.12 0.03 -0.01 0.00 -0.60 0.00 0.00 56.93 56.46 2otj s PHE 49 Cb -0.11 -1.70 0.03 0.00 0.51 0.00 0.00 43.02 41.75 2otj s PHE 49 CO 0.01 0.35 0.01 0.08 0.70 0.00 0.00 175.22 176.37 2otj s VAL 50 N -0.84 0.29 0.36 -0.44 1.01 -0.71 -0.92 120.40 119.15 2otj s VAL 50 Ca 0.13 0.17 -0.27 0.00 0.00 0.00 0.00 61.98 62.02 2otj s VAL 50 Cb -0.11 -0.47 -0.09 0.00 0.00 0.00 0.00 36.38 35.71 2otj s VAL 50 CO 0.02 0.24 1.15 0.00 0.00 0.00 0.00 175.10 176.51 2otj s ALA 51 N 2.01 3.26 -1.67 5.51 0.00 0.06 -1.43 121.76 129.50 2otj s ALA 51 Ca 0.05 0.95 0.25 0.00 0.00 0.00 0.00 51.96 53.21 2otj s ALA 51 Cb -0.12 -3.36 0.52 0.00 0.00 0.00 0.00 23.12 20.16 2otj s ALA 51 CO -0.05 -0.39 1.42 0.39 0.00 0.00 0.00 175.76 177.13 2otj n GLU 52 N 0.48 0.76 -1.06 0.00 1.02 0.20 -4.17 120.64 117.86 2otj n GLU 52 Ca 0.02 -0.50 -0.16 0.00 -0.02 0.00 0.00 57.16 56.50 2otj n GLU 52 Cb 0.46 -1.49 0.18 0.00 -0.02 0.00 0.00 31.44 30.57 2otj n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2otj n ASP 53 N -0.68 3.29 -4.73 1.62 5.75 -1.20 -4.44 116.55 116.16 2otj n ASP 53 Ca 0.10 -3.70 -0.41 0.00 -0.01 0.00 0.00 54.79 50.77 2otj n ASP 53 Cb 0.37 -0.75 -0.05 0.00 -1.03 0.00 0.00 41.12 39.67 2otj n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2otj s VAL 54 N -3.34 4.34 -0.19 2.12 1.01 -1.26 -4.91 120.40 118.17 2otj s VAL 54 Ca 0.52 2.01 -0.05 0.00 0.00 0.00 0.00 61.98 64.46 2otj s VAL 54 Cb 0.45 -4.28 0.09 0.00 0.00 0.00 0.00 36.38 32.64 2otj s VAL 54 CO 0.05 0.34 0.32 -1.58 0.00 0.00 0.00 175.10 174.24 2otj s GLN 55 N -0.23 0.25 0.34 2.72 -0.44 -1.26 -3.68 119.66 117.36 2otj s GLN 55 Ca 0.46 0.68 -0.29 0.00 -2.50 0.00 0.00 55.36 53.72 2otj s GLN 55 Cb -0.25 -0.24 -0.11 0.00 -1.64 0.00 0.00 33.01 30.78 2otj s GLN 55 CO 0.31 -0.43 1.40 -2.14 0.50 0.00 0.00 175.29 174.94 2otj s PRO 56 N 2.49 4.24 0.59 1.67 0.02 -1.26 -5.07 135.00 137.67 2otj s PRO 56 Ca 0.04 2.39 0.36 0.00 0.02 0.00 0.00 61.00 63.81 2otj s PRO 56 Cb -0.13 -3.03 1.83 0.00 0.02 0.00 0.00 34.50 33.19 2otj s PRO 56 CO -0.12 -0.37 2.17 0.93 -0.33 0.00 0.00 177.00 179.28 2otj h GLU 57 N 3.38 0.00 -0.56 5.54 5.08 -1.99 -3.01 114.58 123.03 2otj h GLU 57 Ca -0.49 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 57.98 2otj h GLU 57 Cb 1.23 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.37 2otj h GLU 57 CO 0.66 0.03 -0.19 0.93 -1.00 0.00 0.00 179.01 179.45 2otj h GLU 58 N 0.00 -0.05 -1.58 2.33 3.07 -1.98 -1.79 114.58 114.59 2otj h GLU 58 Ca -0.00 0.00 0.46 0.00 -0.50 0.00 0.00 59.36 59.32 2otj h GLU 58 Cb 0.25 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.11 2otj h GLU 58 CO 0.00 -0.03 1.25 0.82 -1.40 0.00 0.00 179.01 179.65 2otj h ILE 59 N -0.05 0.09 0.00 3.13 2.04 -1.94 -2.56 117.51 118.21 2otj h ILE 59 Ca 0.26 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.12 2otj h ILE 59 Cb 0.46 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2otj h ILE 59 CO -0.60 0.00 -0.95 0.52 0.00 0.00 0.00 178.15 177.12 2otj n VAL 60 N -3.81 0.00 -0.21 1.67 0.31 -0.76 -4.82 118.33 110.70 2otj n VAL 60 Ca 0.35 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.84 2otj n VAL 60 Cb 1.73 0.37 0.30 0.00 -0.91 0.00 0.00 33.84 35.32 2otj n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2otj n MET 61 N -1.46 -0.04 0.17 5.55 2.81 -0.75 -0.61 117.12 122.79 2otj n MET 61 Ca 0.00 0.90 0.02 0.00 -1.81 0.00 0.00 57.70 56.81 2otj n MET 61 Cb 0.04 -1.54 0.30 0.00 -0.71 0.00 0.00 33.22 31.30 2otj n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 2otj h HIS 62 N 0.00 0.00 -0.38 2.03 2.07 -1.88 -3.36 115.15 113.63 2otj h HIS 62 Ca 0.48 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 58.06 2otj h HIS 62 Cb 1.17 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 31.07 2otj h HIS 62 CO -0.13 0.45 -0.44 0.82 -3.07 0.00 0.00 177.93 175.56 2otj h ILE 63 N 0.00 0.10 0.00 6.12 1.08 -1.22 -1.49 117.51 122.11 2otj h ILE 63 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2otj h ILE 63 Cb 0.82 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 2otj h ILE 63 CO 0.06 0.00 0.00 -2.65 -0.69 0.00 0.00 178.15 174.87 2otj n PRO 64 N -5.41 0.00 -0.09 2.37 -0.02 -1.26 -0.67 135.00 129.92 2otj n PRO 64 Ca -0.01 0.60 0.17 0.00 -2.02 0.00 0.00 63.50 62.24 2otj n PRO 64 Cb 0.35 -1.31 0.58 0.00 -0.02 0.00 0.00 33.50 33.10 2otj n PRO 64 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2otj h GLU 65 N 0.00 0.24 -0.15 -0.52 4.81 -1.80 -0.66 114.58 116.50 2otj h GLU 65 Ca 0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2otj h GLU 65 Cb 0.00 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 2otj h GLU 65 CO 0.00 0.16 -0.04 1.25 -0.73 0.00 0.00 179.01 179.65 2otj h LEU 66 N 0.25 0.29 -1.06 1.64 5.85 -0.99 -2.76 115.31 118.54 2otj h LEU 66 Ca 0.32 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 2otj h LEU 66 Cb 0.89 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 2otj h LEU 66 CO -0.07 0.59 0.26 0.00 -0.34 0.00 0.00 178.44 178.89 2otj h ALA 67 N 0.71 1.25 -0.85 1.25 0.00 0.08 -2.68 119.26 119.03 2otj h ALA 67 Ca 0.04 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2otj h ALA 67 Cb 0.47 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2otj h ALA 67 CO 0.02 0.55 0.56 -0.44 0.00 0.00 0.00 179.25 179.94 2otj h ASP 68 N 0.92 0.91 -0.17 0.00 3.32 -1.01 -0.44 116.42 119.95 2otj h ASP 68 Ca 0.22 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2otj h ASP 68 Cb 0.17 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2otj h ASP 68 CO -0.02 0.63 0.00 -1.84 -1.72 0.00 0.00 179.24 176.29 2otj n GLU 69 N -4.44 1.61 -0.03 3.56 0.28 -1.03 -3.39 120.64 117.20 2otj n GLU 69 Ca 0.11 -0.92 0.02 0.00 -0.16 0.00 0.00 57.16 56.21 2otj n GLU 69 Cb 0.11 -1.33 0.03 0.00 1.43 0.00 0.00 31.44 31.67 2otj n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2otj n LYS 70 N 0.16 2.30 0.00 3.44 4.76 -0.26 -4.99 118.16 123.57 2otj n LYS 70 Ca 0.14 -1.59 0.00 0.00 -2.87 0.00 0.00 58.31 54.00 2otj n LYS 70 Cb 0.27 -1.03 0.00 0.00 -1.84 0.00 0.00 35.03 32.43 2otj n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2otj n GLY 71 N -0.61 0.53 3.68 0.72 0.00 -0.67 -4.92 105.19 103.93 2otj n GLY 71 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2otj n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2otj s VAL 72 N -1.07 3.05 0.41 1.61 1.01 -1.02 -4.98 120.40 119.41 2otj s VAL 72 Ca 0.00 0.43 -0.23 0.00 0.00 0.00 0.00 61.98 62.18 2otj s VAL 72 Cb 0.00 -3.28 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 2otj s VAL 72 CO 0.00 -0.01 1.01 -2.84 0.00 0.00 0.00 175.10 173.26 2otj s PRO 73 N 2.97 4.15 0.05 2.72 0.02 -1.26 -4.39 135.00 139.26 2otj s PRO 73 Ca 0.76 1.38 0.01 0.00 0.02 0.00 0.00 61.00 63.16 2otj s PRO 73 Cb -0.40 -2.40 -0.03 0.00 0.02 0.00 0.00 34.50 31.69 2otj s PRO 73 CO 0.33 -0.13 -0.05 -0.59 -0.33 0.00 0.00 177.00 176.23 2otj s PHE 74 N -1.83 0.55 0.03 6.54 -0.12 -1.26 -1.34 117.98 120.55 2otj s PHE 74 Ca 0.60 -0.75 0.01 0.00 -0.05 0.00 0.00 56.93 56.73 2otj s PHE 74 Cb -0.18 -0.36 -0.02 0.00 -0.63 0.00 0.00 43.02 41.83 2otj s PHE 74 CO 0.22 -0.21 -0.04 -1.50 -0.05 0.00 0.00 175.22 173.64 2otj s ILE 75 N -2.56 0.25 0.21 -4.49 2.07 -0.31 -4.96 121.20 111.41 2otj s ILE 75 Ca -0.03 -0.91 -0.03 0.00 -1.41 0.00 0.00 60.65 58.27 2otj s ILE 75 Cb -0.02 -0.36 -0.05 0.00 0.13 0.00 0.00 42.46 42.16 2otj s ILE 75 CO -0.04 -0.43 0.43 -0.36 -1.91 0.00 0.00 174.94 172.64 2otj s PHE 76 N -1.35 3.48 -0.04 3.50 2.99 -1.26 -1.73 117.98 123.57 2otj s PHE 76 Ca -0.13 0.49 0.02 0.00 0.00 0.00 0.00 56.93 57.31 2otj s PHE 76 Cb -0.09 -1.97 0.01 0.00 0.00 0.00 0.00 43.02 40.97 2otj s PHE 76 CO -0.00 0.34 -0.09 0.08 -0.00 0.00 0.00 175.22 175.55 2otj s VAL 77 N -1.87 0.81 0.06 -0.44 1.01 -0.52 -4.88 120.40 114.58 2otj s VAL 77 Ca 0.41 -0.33 -0.25 0.00 0.00 0.00 0.00 61.98 61.81 2otj s VAL 77 Cb -0.11 -0.75 -0.16 0.00 0.00 0.00 0.00 36.38 35.35 2otj s VAL 77 CO 0.28 0.27 1.62 -0.33 0.00 0.00 0.00 175.10 176.94 2otj h GLU 78 N 6.76 -0.13 -6.23 2.72 4.39 -1.95 0.56 114.58 120.70 2otj h GLU 78 Ca -0.34 0.01 -0.57 0.00 0.34 0.00 0.00 59.36 58.80 2otj h GLU 78 Cb 1.17 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.82 2otj h GLU 78 CO 0.48 -0.00 -0.28 -0.65 -1.16 0.00 0.00 179.01 177.40 2otj s GLN 79 N -5.77 3.63 -0.02 2.33 -1.52 -1.26 -3.24 119.66 113.81 2otj s GLN 79 Ca -0.14 -0.07 0.04 0.00 -1.95 0.00 0.00 55.36 53.24 2otj s GLN 79 Cb 0.05 -2.81 -0.25 0.00 -0.22 0.00 0.00 33.01 29.78 2otj s GLN 79 CO 0.65 0.42 0.77 0.37 -0.25 0.00 0.00 175.29 177.25 2otj h GLN 80 N 2.62 0.13 0.00 2.91 4.15 -1.86 -3.33 115.11 119.72 2otj h GLN 80 Ca -0.46 -0.22 -0.07 0.00 0.77 0.00 0.00 58.65 58.67 2otj h GLN 80 Cb 1.17 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.93 2otj h GLN 80 CO 0.71 0.88 -0.31 -0.44 -1.93 0.00 0.00 178.83 177.74 2otj h ASP 81 N 0.03 0.00 -0.10 -0.69 3.32 -1.91 -0.23 116.42 116.84 2otj h ASP 81 Ca -0.26 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.75 2otj h ASP 81 Cb 1.99 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.54 2otj h ASP 81 CO 0.12 0.31 -0.12 0.44 -1.72 0.00 0.00 179.24 178.27 2otj h ASP 82 N 0.00 0.28 0.21 6.45 3.32 -1.94 -0.04 116.42 124.69 2otj h ASP 82 Ca -0.00 -0.50 -0.04 0.00 0.02 0.00 0.00 57.03 56.51 2otj h ASP 82 Cb 1.15 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 2otj h ASP 82 CO 0.04 0.72 -0.20 0.25 -1.72 0.00 0.00 179.24 178.33 2otj h LEU 83 N -0.15 0.00 -0.03 1.55 5.85 -1.67 0.11 115.31 120.97 2otj h LEU 83 Ca 0.01 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.48 2otj h LEU 83 Cb 0.65 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.69 2otj h LEU 83 CO 0.03 0.20 -1.09 1.23 -0.34 0.00 0.00 178.44 178.47 2otj h GLY 84 N 0.61 0.48 1.00 3.75 0.00 -1.39 -2.71 103.07 104.82 2otj h GLY 84 Ca -0.00 -0.96 -0.13 0.00 0.00 0.00 0.00 47.33 46.24 2otj h GLY 84 CO 0.03 0.85 -0.30 0.84 0.00 0.00 0.00 176.54 177.95 2otj h HIS 85 N 0.20 0.90 0.00 5.60 -0.00 -0.44 0.13 115.15 121.54 2otj h HIS 85 Ca -0.12 -0.27 -0.02 0.00 -0.00 0.00 0.00 60.37 59.96 2otj h HIS 85 Cb 1.76 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 28.97 2otj h HIS 85 CO 0.07 1.03 -0.11 0.00 -0.00 0.00 0.00 177.93 178.93 2otj h ALA 86 N 0.72 1.69 -0.06 5.26 0.00 -0.85 0.14 119.26 126.16 2otj h ALA 86 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2otj h ALA 86 Cb 0.87 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2otj h ALA 86 CO 0.07 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.46 2otj n ALA 87 N -2.46 2.57 -2.50 0.00 0.00 -1.02 -3.62 120.51 113.47 2otj n ALA 87 Ca -0.03 -0.43 -0.01 0.00 0.00 0.00 0.00 53.44 52.98 2otj n ALA 87 Cb 0.19 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2otj n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2otj n GLY 88 N 1.12 0.89 3.36 0.00 0.00 0.04 -5.01 105.19 105.59 2otj n GLY 88 Ca 0.18 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 2otj n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2otj s LEU 89 N -1.12 2.29 0.30 0.99 1.43 0.42 -5.01 118.68 117.98 2otj s LEU 89 Ca 0.02 -0.71 0.15 0.00 -1.03 0.00 0.00 54.13 52.56 2otj s LEU 89 Cb -0.01 -1.16 0.35 0.00 0.03 0.00 0.00 46.19 45.40 2otj s LEU 89 CO 0.02 0.17 1.58 -0.33 0.23 0.00 0.00 176.35 178.02 2otj h GLU 90 N 4.09 0.00 -6.46 1.70 5.08 -1.95 -3.32 114.58 113.72 2otj h GLU 90 Ca -0.49 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.44 2otj h GLU 90 Cb 1.17 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.44 2otj h GLU 90 CO 0.40 0.52 -0.25 0.08 -1.00 0.00 0.00 179.01 178.76 2otj s VAL 91 N -3.30 3.29 0.78 3.13 1.01 -1.26 -4.96 120.40 119.08 2otj s VAL 91 Ca 0.01 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 2otj s VAL 91 Cb 0.10 -3.13 0.10 0.00 0.00 0.00 0.00 36.38 33.45 2otj s VAL 91 CO 0.73 -0.06 1.10 -0.83 0.00 0.00 0.00 175.10 176.05 2otj s GLY 92 N -4.31 1.70 -0.04 4.51 0.00 -1.26 -4.23 107.32 103.69 2otj s GLY 92 Ca 0.52 -1.03 -0.01 0.00 0.00 0.00 0.00 44.72 44.20 2otj s GLY 92 CO 0.33 -0.52 0.07 -0.45 0.00 0.00 0.00 173.10 172.54 2otj s SER 93 N -4.63 -0.00 0.39 1.64 0.15 -0.11 -4.78 113.70 106.36 2otj s SER 93 Ca 0.64 0.13 0.14 0.00 0.70 0.00 0.00 55.95 57.56 2otj s SER 93 Cb -0.09 0.03 0.81 0.00 -1.71 0.00 0.00 66.02 65.06 2otj s SER 93 CO 0.47 -0.13 1.87 0.00 1.20 0.00 0.00 173.24 176.65 2otj h ALA 94 N 7.17 1.44 -1.86 5.45 0.00 -1.96 -3.41 119.26 126.09 2otj h ALA 94 Ca -0.43 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 2otj h ALA 94 Cb 1.13 -0.05 -0.21 0.00 0.00 0.00 0.00 17.79 18.66 2otj h ALA 94 CO 0.46 0.40 0.28 0.00 0.00 0.00 0.00 179.25 180.40 2otj s ALA 95 N -4.27 -1.83 0.08 0.00 0.00 -1.26 -0.76 121.76 113.72 2otj s ALA 95 Ca -0.03 1.57 0.02 0.00 0.00 0.00 0.00 51.96 53.52 2otj s ALA 95 Cb 0.15 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 2otj s ALA 95 CO 0.71 -0.34 -0.07 0.00 0.00 0.00 0.00 175.76 176.07 2otj s ALA 96 N -0.73 0.85 -0.03 0.00 0.00 -0.10 -1.81 121.76 119.94 2otj s ALA 96 Ca -0.05 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 2otj s ALA 96 Cb -0.02 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.27 2otj s ALA 96 CO 0.05 -0.18 0.05 0.00 0.00 0.00 0.00 175.76 175.68 2otj s ALA 97 N -3.04 0.03 -0.73 0.00 0.00 0.06 0.95 121.76 119.04 2otj s ALA 97 Ca 0.06 0.37 -0.26 0.00 0.00 0.00 0.00 51.96 52.12 2otj s ALA 97 Cb 0.01 -0.30 0.04 0.00 0.00 0.00 0.00 23.12 22.86 2otj s ALA 97 CO -0.04 -0.14 1.24 0.08 0.00 0.00 0.00 175.76 176.90 2otj s VAL 98 N 1.15 3.80 -1.13 0.00 1.01 0.12 0.11 120.40 125.46 2otj s VAL 98 Ca -0.08 0.32 -0.19 0.00 0.00 0.00 0.00 61.98 62.02 2otj s VAL 98 Cb -0.13 -4.89 0.08 0.00 0.00 0.00 0.00 36.38 31.45 2otj s VAL 98 CO -0.04 -1.80 1.51 0.28 0.00 0.00 0.00 175.10 175.06 2otj s THR 99 N 5.51 4.23 0.02 3.92 -1.32 0.13 -1.67 115.64 126.46 2otj s THR 99 Ca 0.33 -1.52 0.00 0.00 -1.21 0.00 0.00 61.69 59.29 2otj s THR 99 Cb -0.09 -5.06 0.00 0.00 -1.51 0.00 0.00 72.50 65.84 2otj s THR 99 CO 0.15 -1.88 0.00 0.47 -2.21 0.00 0.00 174.62 171.15 2otj n ASP 100 N 8.01 -5.31 -3.08 8.08 9.92 -1.26 -3.78 116.55 129.13 2otj n ASP 100 Ca 0.38 0.80 0.00 0.00 -0.53 0.00 0.00 54.79 55.44 2otj n ASP 100 Cb 0.48 -2.85 0.00 0.00 -0.64 0.00 0.00 41.12 38.11 2otj n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2otj n ALA 101 N 0.81 0.00 0.00 2.24 0.00 -1.26 -1.98 120.51 120.32 2otj n ALA 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2otj n ALA 101 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2otj n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2otj n GLY 102 N 0.32 2.60 2.89 0.00 0.00 -1.26 -3.27 105.19 106.46 2otj n GLY 102 Ca 0.00 0.26 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 2otj n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2otj n GLU 103 N 0.00 -1.83 0.00 1.61 4.71 -1.26 -4.24 120.64 119.63 2otj n GLU 103 Ca 0.00 0.66 0.00 0.00 -0.01 0.00 0.00 57.16 57.81 2otj n GLU 103 Cb 0.00 -5.10 0.00 0.00 -1.01 0.00 0.00 31.44 25.33 2otj n GLU 103 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2otj n ALA 104 N 1.09 0.00 -0.36 0.62 0.00 -1.26 -4.88 120.51 115.72 2otj n ALA 104 Ca -0.05 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.65 2otj n ALA 104 Cb 0.53 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.50 2otj n ALA 104 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2otj h ASP 105 N 0.00 0.45 0.24 0.00 3.32 -1.92 0.64 116.42 119.14 2otj h ASP 105 Ca 0.00 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2otj h ASP 105 Cb 0.36 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2otj h ASP 105 CO 0.00 -0.06 -0.11 0.00 -1.72 0.00 0.00 179.24 177.34 2otj h ALA 106 N 1.72 -0.32 -0.27 3.45 0.00 -1.98 -1.73 119.26 120.13 2otj h ALA 106 Ca 0.71 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.43 2otj h ALA 106 Cb 1.80 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 2otj h ALA 106 CO -0.47 -0.44 0.15 -0.44 0.00 0.00 0.00 179.25 178.05 2otj h ASP 107 N -0.79 0.23 0.02 0.00 3.32 -1.40 -2.36 116.42 115.44 2otj h ASP 107 Ca -0.03 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.05 2otj h ASP 107 Cb 0.51 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 2otj h ASP 107 CO 0.05 0.17 -0.28 0.58 -1.72 0.00 0.00 179.24 178.05 2otj h VAL 108 N 0.31 0.38 -1.00 -1.35 2.07 0.12 -0.67 116.25 116.11 2otj h VAL 108 Ca 0.11 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.81 2otj h VAL 108 Cb 0.01 0.38 -0.10 0.00 -1.52 0.00 0.00 31.29 30.06 2otj h VAL 108 CO -0.06 0.00 0.61 -0.08 0.02 0.00 0.00 177.57 178.07 2otj h GLU 109 N -0.43 0.73 -0.09 1.57 4.81 -1.10 0.87 114.58 120.94 2otj h GLU 109 Ca 0.06 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.06 2otj h GLU 109 Cb 0.51 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2otj h GLU 109 CO -0.23 0.48 -0.70 -0.44 -0.73 0.00 0.00 179.01 177.40 2otj h ASP 110 N 0.75 0.49 -0.49 1.04 3.32 -0.85 -0.53 116.42 120.15 2otj h ASP 110 Ca 0.56 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 2otj h ASP 110 Cb 0.89 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 2otj h ASP 110 CO -0.35 1.04 0.17 0.40 -1.72 0.00 0.00 179.24 178.78 2otj h ILE 111 N 0.29 1.22 -0.64 0.35 2.04 0.45 1.16 117.51 122.39 2otj h ILE 111 Ca -0.02 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 2otj h ILE 111 Cb 1.27 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 2otj h ILE 111 CO 0.12 0.27 0.31 0.00 0.00 0.00 0.00 178.15 178.85 2otj h ALA 112 N 1.02 0.83 -0.41 1.87 0.00 -0.79 -0.53 119.26 121.25 2otj h ALA 112 Ca 0.16 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2otj h ALA 112 Cb 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2otj h ALA 112 CO -0.01 0.39 -0.32 -0.44 0.00 0.00 0.00 179.25 178.87 2otj h ASP 113 N 0.88 0.97 -0.67 0.00 3.32 -0.48 -1.41 116.42 119.04 2otj h ASP 113 Ca 0.22 -0.41 -0.07 0.00 0.02 0.00 0.00 57.03 56.79 2otj h ASP 113 Cb 0.12 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 2otj h ASP 113 CO -0.03 1.20 0.15 0.11 -1.72 0.00 0.00 179.24 178.95 2otj h LYS 114 N 0.77 1.09 -0.26 3.56 1.57 0.17 -2.59 116.57 120.88 2otj h LYS 114 Ca 0.08 -0.27 -0.18 0.00 -1.87 0.00 0.00 60.65 58.41 2otj h LYS 114 Cb 0.90 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 2otj h LYS 114 CO 0.08 0.98 -0.56 0.28 -0.57 0.00 0.00 179.45 179.66 2otj h VAL 115 N 1.03 1.28 -0.84 0.50 2.07 -1.03 -2.14 116.25 117.12 2otj h VAL 115 Ca 0.21 -1.76 0.05 0.00 0.82 0.00 0.00 66.70 66.02 2otj h VAL 115 Cb 0.39 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 2otj h VAL 115 CO 0.01 0.57 0.53 -0.33 0.02 0.00 0.00 177.57 178.37 2otj h GLU 116 N 0.62 0.98 -0.10 1.57 4.39 -1.12 -0.89 114.58 120.03 2otj h GLU 116 Ca 0.01 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 2otj h GLU 116 Cb 1.16 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 2otj h GLU 116 CO 0.12 0.65 -0.45 0.93 -1.16 0.00 0.00 179.01 179.09 2otj h GLU 117 N 1.01 0.24 -0.15 2.33 5.08 -1.42 -2.21 114.58 119.45 2otj h GLU 117 Ca 0.35 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2otj h GLU 117 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2otj h GLU 117 CO -0.14 0.65 0.00 -0.11 -1.00 0.00 0.00 179.01 178.40 2otj n LEU 118 N -3.99 0.15 0.00 1.33 7.94 -0.35 -5.12 117.00 116.96 2otj n LEU 118 Ca -0.02 -0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 2otj n LEU 118 Cb 0.51 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.38 2otj n LEU 118 CO 0.42 0.04 0.00 -1.14 -1.11 0.00 0.00 177.39 175.60