#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djo n GLU 2 N 0.00 1.23 -1.94 1.64 2.13 -1.26 -4.93 120.64 117.50 3djo n GLU 2 Ca 0.00 0.44 -0.33 0.00 0.66 0.00 0.00 57.16 57.93 3djo n GLU 2 Cb 0.00 -2.00 0.02 0.00 0.27 0.00 0.00 31.44 29.74 3djo n GLU 2 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3djo s SER 3 N 0.19 5.51 0.27 4.31 1.04 -1.26 -4.84 113.70 118.91 3djo s SER 3 Ca 0.77 1.91 -0.05 0.00 0.48 0.00 0.00 55.95 59.06 3djo s SER 3 Cb -0.87 -2.54 0.32 0.00 0.10 0.00 0.00 66.02 63.03 3djo s SER 3 CO 0.50 -1.36 1.94 0.00 0.98 0.00 0.00 173.24 175.31 3djo h ALA 4 N 0.32 1.32 -0.20 5.32 0.00 -1.98 0.12 119.26 124.16 3djo h ALA 4 Ca -0.47 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.38 3djo h ALA 4 Cb 1.23 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3djo h ALA 4 CO 0.56 0.63 0.11 0.00 0.00 0.00 0.00 179.25 180.55 3djo h ALA 5 N 1.41 0.24 -0.56 0.00 0.00 -2.00 -0.66 119.26 117.69 3djo h ALA 5 Ca 0.35 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 3djo h ALA 5 Cb -0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3djo h ALA 5 CO -0.08 -0.30 0.11 0.00 0.00 0.00 0.00 179.25 178.97 3djo h ALA 6 N 1.09 1.13 -0.63 0.00 0.00 -1.83 -1.81 119.26 117.21 3djo h ALA 6 Ca 0.08 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3djo h ALA 6 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3djo h ALA 6 CO -0.04 0.58 0.17 -0.22 0.00 0.00 0.00 179.25 179.74 3djo h LYS 7 N 0.85 1.00 -0.40 0.00 3.64 -0.51 0.34 116.57 121.49 3djo h LYS 7 Ca 0.18 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3djo h LYS 7 Cb 0.35 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3djo h LYS 7 CO 0.00 0.89 0.26 0.35 -2.27 0.00 0.00 179.45 178.68 3djo h PHE 8 N 0.92 0.52 -0.73 1.91 3.04 -0.85 0.29 116.94 122.03 3djo h PHE 8 Ca 0.20 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.13 3djo h PHE 8 Cb 0.33 -0.17 -0.03 0.00 2.56 0.00 0.00 35.95 38.63 3djo h PHE 8 CO 0.02 0.35 0.35 0.93 -2.02 0.00 0.00 178.31 177.94 3djo h GLU 9 N 0.54 1.06 -0.23 1.11 5.08 -0.93 0.20 114.58 121.41 3djo h GLU 9 Ca 0.15 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3djo h GLU 9 Cb -0.03 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3djo h GLU 9 CO -0.03 0.83 0.08 -0.09 -1.00 0.00 0.00 179.01 178.80 3djo h ARG 10 N 1.03 0.35 0.00 2.33 2.43 -0.67 -1.77 114.38 118.07 3djo h ARG 10 Ca 0.25 -0.07 -0.20 0.00 -0.81 0.00 0.00 59.98 59.15 3djo h ARG 10 Cb 0.12 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3djo h ARG 10 CO -0.03 0.42 -0.95 1.96 -1.51 0.00 0.00 179.97 179.86 3djo h GLN 11 N 0.20 0.00 0.00 0.20 4.20 -0.70 -3.41 115.11 115.60 3djo h GLN 11 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3djo h GLN 11 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3djo h GLN 11 CO -0.00 0.95 0.00 0.72 -0.67 0.00 0.00 178.83 179.82 3djo n HIS 12 N -3.37 0.00 -4.07 2.96 8.25 0.68 -5.04 115.22 114.62 3djo n HIS 12 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 3djo n HIS 12 Cb 0.91 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.91 3djo n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3djo s MET 13 N -0.63 3.79 -0.40 -0.41 -1.94 -0.67 -4.99 119.30 114.05 3djo s MET 13 Ca 0.00 -0.44 0.09 0.00 -1.71 0.00 0.00 55.69 53.63 3djo s MET 13 Cb 0.00 -3.14 0.29 0.00 2.01 0.00 0.00 34.83 33.99 3djo s MET 13 CO 0.00 0.14 0.67 -3.47 -0.01 0.00 0.00 175.02 172.35 3djo n ASP 14 N 3.89 -0.12 0.20 3.03 2.03 -1.26 -4.83 116.55 119.48 3djo n ASP 14 Ca -0.17 -2.93 0.04 0.00 0.52 0.00 0.00 54.79 52.25 3djo n ASP 14 Cb 0.52 -0.19 0.44 0.00 -0.72 0.00 0.00 41.12 41.17 3djo n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3djo h SER 15 N 3.60 0.03 -0.01 1.67 0.02 -1.98 -3.27 113.55 113.62 3djo h SER 15 Ca 0.04 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3djo h SER 15 Cb 0.94 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.47 3djo h SER 15 CO 0.44 0.27 -0.05 0.61 -1.14 0.00 0.00 176.83 176.96 3djo n GLY 16 N -0.81 0.51 3.36 -3.77 0.00 -1.26 -4.96 105.19 98.25 3djo n GLY 16 Ca -0.02 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 3djo n GLY 16 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3djo s ASN 17 N -2.06 0.29 0.09 1.61 0.01 -1.23 -5.18 114.94 108.47 3djo s ASN 17 Ca 0.31 -1.29 -0.08 0.00 -0.71 0.00 0.00 52.86 51.08 3djo s ASN 17 Cb 0.20 0.49 -0.01 0.00 0.41 0.00 0.00 41.25 42.34 3djo s ASN 17 CO 0.34 -1.00 0.18 -0.94 -1.51 0.00 0.00 177.10 174.17 3djo s SER 18 N -3.14 0.14 0.41 -1.22 1.04 -1.26 -4.95 113.70 104.72 3djo s SER 18 Ca 0.33 -0.71 0.14 0.00 0.48 0.00 0.00 55.95 56.19 3djo s SER 18 Cb 0.03 0.34 1.00 0.00 0.10 0.00 0.00 66.02 67.50 3djo s SER 18 CO 0.13 -0.74 1.91 -0.65 0.98 0.00 0.00 173.24 174.88 3djo h PRO 19 N 2.76 0.46 0.00 4.02 0.11 -2.03 -2.88 132.00 134.44 3djo h PRO 19 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3djo h PRO 19 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3djo h PRO 19 CO 0.56 0.30 0.00 0.77 -0.21 0.00 0.00 178.00 179.42 3djo h SER 20 N 0.47 0.00 -4.12 -2.05 0.02 -2.07 -3.43 113.55 102.37 3djo h SER 20 Ca 0.38 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.81 3djo h SER 20 Cb 0.82 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.46 3djo h SER 20 CO -0.13 0.00 0.44 -0.55 -1.14 0.00 0.00 176.83 175.44 3djo s SER 21 N -4.58 5.15 -0.03 3.07 0.15 -1.09 -4.94 113.70 111.43 3djo s SER 21 Ca 0.00 2.27 0.08 0.00 0.70 0.00 0.00 55.95 59.00 3djo s SER 21 Cb 0.09 -2.59 -0.12 0.00 -1.71 0.00 0.00 66.02 61.70 3djo s SER 21 CO 0.37 -1.61 0.14 -1.20 1.20 0.00 0.00 173.24 172.14 3djo n SER 22 N -1.82 3.15 0.08 5.45 7.64 -1.26 -4.67 113.62 122.18 3djo n SER 22 Ca 0.13 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.13 3djo n SER 22 Cb 0.50 1.20 0.46 0.00 -1.01 0.00 0.00 64.21 65.36 3djo n SER 22 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3djo n SER 23 N -1.91 0.58 -0.23 6.43 3.41 -1.26 -3.14 113.62 117.50 3djo n SER 23 Ca -0.04 0.57 0.14 0.00 -0.26 0.00 0.00 58.87 59.27 3djo n SER 23 Cb 0.34 -0.72 0.48 0.00 -0.26 0.00 0.00 64.21 64.06 3djo n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3djo n ASN 24 N -2.06 0.88 -0.07 4.04 5.15 -1.26 -4.37 115.26 117.57 3djo n ASN 24 Ca 0.05 -0.86 -0.10 0.00 -0.60 0.00 0.00 54.58 53.08 3djo n ASN 24 Cb 0.37 0.05 -0.04 0.00 -0.53 0.00 0.00 39.78 39.63 3djo n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3djo h TYR 25 N 1.10 -1.07 -0.75 1.20 3.20 -1.87 -1.99 116.97 116.79 3djo h TYR 25 Ca 0.00 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3djo h TYR 25 Cb 0.45 0.51 -0.04 0.00 1.54 0.00 0.00 36.73 39.19 3djo h TYR 25 CO 0.00 -0.42 0.43 0.00 -1.64 0.00 0.00 178.16 176.53 3djo h ASN 27 N 1.03 0.26 -0.03 0.00 2.35 -1.67 0.35 115.58 117.87 3djo h ASN 27 Ca 0.27 0.08 -0.19 0.00 -0.55 0.00 0.00 56.30 55.91 3djo h ASN 27 Cb -0.00 0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.43 3djo h ASN 27 CO -0.05 0.15 -0.71 -0.07 -1.65 0.00 0.00 177.43 175.10 3djo h LEU 28 N 0.44 0.68 -0.39 1.61 3.38 -0.94 -3.00 115.31 117.09 3djo h LEU 28 Ca 0.32 -0.72 -0.16 0.00 0.09 0.00 0.00 57.88 57.41 3djo h LEU 28 Cb 0.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3djo h LEU 28 CO -0.31 1.31 -0.41 0.24 0.09 0.00 0.00 178.44 179.36 3djo h MET 29 N 0.11 0.92 -0.57 1.13 2.86 -0.55 0.25 114.93 119.08 3djo h MET 29 Ca -0.08 -0.50 -0.03 0.00 -2.06 0.00 0.00 59.70 57.02 3djo h MET 29 Cb 1.39 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 33.05 3djo h MET 29 CO 0.14 1.15 0.21 0.52 1.06 0.00 0.00 176.91 180.00 3djo h MET 30 N 0.75 0.84 0.19 1.72 2.86 -1.04 0.45 114.93 120.69 3djo h MET 30 Ca 0.05 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3djo h MET 30 Cb 1.01 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.52 3djo h MET 30 CO 0.10 0.70 -0.09 0.00 1.06 0.00 0.00 176.91 178.68 3djo n ARG 33 N -5.05 2.41 -3.29 0.00 5.12 0.12 -4.93 116.66 111.04 3djo n ARG 33 Ca 0.10 -1.58 -0.17 0.00 -1.93 0.00 0.00 57.85 54.27 3djo n ARG 33 Cb 0.31 -1.55 0.07 0.00 -1.16 0.00 0.00 32.46 30.13 3djo n ARG 33 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3djo n LYS 34 N 0.57 -6.04 -0.29 5.56 5.02 -0.71 -4.92 118.16 117.34 3djo n LYS 34 Ca 0.14 0.69 0.07 0.00 -2.02 0.00 0.00 58.31 57.19 3djo n LYS 34 Cb 0.51 -5.27 0.20 0.00 -0.02 0.00 0.00 35.03 30.45 3djo n LYS 34 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3djo n MET 35 N -3.91 2.73 -0.08 1.97 2.81 -0.37 -4.52 117.12 115.76 3djo n MET 35 Ca -0.11 -2.49 0.05 0.00 -1.81 0.00 0.00 57.70 53.35 3djo n MET 35 Cb 0.59 -1.58 0.07 0.00 -0.71 0.00 0.00 33.22 31.59 3djo n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3djo n THR 36 N -0.31 1.29 -3.69 2.03 -2.24 -1.24 -1.88 114.28 108.23 3djo n THR 36 Ca 0.16 -1.47 -0.36 0.00 -2.27 0.00 0.00 64.05 60.12 3djo n THR 36 Cb 0.68 0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 69.00 3djo n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3djo s GLN 37 N -1.77 4.17 0.00 -0.78 -0.21 -1.26 -4.42 119.66 115.39 3djo s GLN 37 Ca 0.16 -0.19 0.00 0.00 0.02 0.00 0.00 55.36 55.35 3djo s GLN 37 Cb 0.14 -3.45 0.00 0.00 1.00 0.00 0.00 33.01 30.70 3djo s GLN 37 CO 0.01 0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.83 3djo n GLY 38 N 3.68 2.09 3.63 3.09 0.00 -1.26 -4.86 105.19 111.57 3djo n GLY 38 Ca -0.15 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 3djo n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3djo s LYS 39 N 0.00 1.52 -0.27 1.61 -2.85 -1.26 -5.07 119.74 113.41 3djo s LYS 39 Ca 0.00 -0.88 -0.25 0.00 -1.00 0.00 0.00 55.97 53.84 3djo s LYS 39 Cb 0.00 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.33 3djo s LYS 39 CO 0.00 -0.67 0.86 0.00 0.10 0.00 0.00 175.35 175.65 3djo n LYS 41 N 6.22 2.79 -0.17 0.00 4.81 -0.79 -4.87 118.16 126.15 3djo n LYS 41 Ca 0.06 1.02 -0.06 0.00 -0.87 0.00 0.00 58.31 58.46 3djo n LYS 41 Cb 0.48 -2.93 0.10 0.00 0.02 0.00 0.00 35.03 32.69 3djo n LYS 41 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3djo h PRO 42 N 9.37 0.94 -3.28 1.64 0.11 -1.93 -3.43 132.00 135.41 3djo h PRO 42 Ca -0.48 -0.26 -0.24 0.00 0.11 0.00 0.00 66.00 65.13 3djo h PRO 42 Cb 1.23 -0.10 -0.31 0.00 0.11 0.00 0.00 31.00 31.93 3djo h PRO 42 CO 0.94 0.91 -0.60 0.08 -0.21 0.00 0.00 178.00 179.13 3djo s VAL 43 N -5.05 -0.04 -0.19 3.15 1.01 -1.26 -1.20 120.40 116.82 3djo s VAL 43 Ca -0.11 0.16 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 3djo s VAL 43 Cb 0.14 -0.23 0.05 0.00 0.00 0.00 0.00 36.38 36.34 3djo s VAL 43 CO 0.83 0.06 0.49 0.21 0.00 0.00 0.00 175.10 176.70 3djo s ASN 44 N 1.03 -0.53 -0.12 3.32 2.47 -0.36 -5.02 114.94 115.72 3djo s ASN 44 Ca -0.08 1.01 -0.02 0.00 0.42 0.00 0.00 52.86 54.19 3djo s ASN 44 Cb -0.10 1.00 -0.03 0.00 -1.45 0.00 0.00 41.25 40.67 3djo s ASN 44 CO -0.05 -0.18 -0.07 -0.89 -3.72 0.00 0.00 177.10 172.20 3djo s THR 45 N 0.44 3.66 -0.11 -5.21 2.01 -1.26 -0.41 115.64 114.75 3djo s THR 45 Ca -0.01 -0.46 -0.05 0.00 0.31 0.00 0.00 61.69 61.48 3djo s THR 45 Cb -0.04 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 3djo s THR 45 CO -0.02 0.53 0.06 -0.36 -0.69 0.00 0.00 174.62 174.15 3djo s PHE 46 N -0.02 3.33 -0.12 4.92 0.08 -0.04 -4.96 117.98 121.17 3djo s PHE 46 Ca -0.00 0.29 -0.02 0.00 0.12 0.00 0.00 56.93 57.32 3djo s PHE 46 Cb -0.13 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.40 3djo s PHE 46 CO 0.03 0.51 -0.06 0.08 -0.10 0.00 0.00 175.22 175.68 3djo s VAL 47 N -0.72 3.76 -2.00 -0.44 1.01 -1.26 -0.05 120.40 120.69 3djo s VAL 47 Ca 0.12 -0.42 0.18 0.00 0.00 0.00 0.00 61.98 61.86 3djo s VAL 47 Cb -0.12 -2.60 0.08 0.00 0.00 0.00 0.00 36.38 33.74 3djo s VAL 47 CO 0.03 0.53 1.01 1.41 0.00 0.00 0.00 175.10 178.07 3djo n HIS 48 N 3.07 0.00 -1.37 5.22 -0.00 -0.07 -4.95 115.22 117.13 3djo n HIS 48 Ca -0.18 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.26 3djo n HIS 48 Cb 0.53 0.00 0.15 0.00 -0.00 0.00 0.00 29.99 30.67 3djo n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3djo s GLU 49 N -1.73 0.81 0.68 -0.41 0.41 -1.25 -4.99 118.70 112.22 3djo s GLU 49 Ca 0.18 0.39 -0.16 0.00 -0.41 0.00 0.00 54.97 54.98 3djo s GLU 49 Cb 0.15 -1.79 0.01 0.00 -1.78 0.00 0.00 34.13 30.72 3djo s GLU 49 CO 0.31 -2.45 1.22 -1.54 -0.49 0.00 0.00 175.26 172.31 3djo s SER 50 N -3.76 4.53 0.28 -0.19 1.04 -1.26 -4.88 113.70 109.46 3djo s SER 50 Ca 0.64 2.39 -0.01 0.00 0.48 0.00 0.00 55.95 59.45 3djo s SER 50 Cb -0.17 -2.59 0.45 0.00 0.10 0.00 0.00 66.02 63.81 3djo s SER 50 CO 0.55 -2.04 1.91 0.25 0.98 0.00 0.00 173.24 174.89 3djo h LEU 51 N 0.12 0.99 -0.52 2.42 5.85 -1.96 -1.98 115.31 120.24 3djo h LEU 51 Ca -0.49 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.29 3djo h LEU 51 Cb 1.30 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 3djo h LEU 51 CO 0.52 0.65 0.24 0.00 -0.34 0.00 0.00 178.44 179.51 3djo h ALA 52 N 1.47 0.66 -0.74 1.25 0.00 -1.99 0.63 119.26 120.54 3djo h ALA 52 Ca 0.40 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 3djo h ALA 52 Cb 0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3djo h ALA 52 CO -0.15 -0.12 0.22 -0.44 0.00 0.00 0.00 179.25 178.77 3djo h ASP 53 N 0.47 1.09 -0.20 0.00 5.19 -1.78 -1.20 116.42 119.98 3djo h ASP 53 Ca 0.24 -0.21 -0.09 0.00 -0.62 0.00 0.00 57.03 56.35 3djo h ASP 53 Cb 0.18 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.40 3djo h ASP 53 CO -0.18 1.01 -0.23 0.58 -3.12 0.00 0.00 179.24 177.30 3djo h VAL 54 N 1.11 1.33 -0.84 -1.35 2.07 -0.98 -2.86 116.25 114.72 3djo h VAL 54 Ca 0.24 -1.40 0.10 0.00 0.82 0.00 0.00 66.70 66.45 3djo h VAL 54 Cb 0.32 1.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 3djo h VAL 54 CO -0.01 0.43 0.55 0.11 0.02 0.00 0.00 177.57 178.67 3djo h LYS 55 N 0.19 0.78 0.00 1.57 1.57 -0.75 -1.96 116.57 117.97 3djo h LYS 55 Ca 0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3djo h LYS 55 Cb 0.78 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 3djo h LYS 55 CO 0.06 0.51 -0.04 0.00 -0.57 0.00 0.00 179.45 179.41 3djo h ALA 56 N 1.58 1.21 -0.13 3.86 0.00 -0.98 -2.50 119.26 122.30 3djo h ALA 56 Ca 0.39 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.28 3djo h ALA 56 Cb 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3djo h ALA 56 CO -0.16 0.05 0.09 0.28 0.00 0.00 0.00 179.25 179.52 3djo h VAL 57 N 0.00 0.99 0.00 0.00 2.07 -1.32 -1.23 116.25 116.76 3djo h VAL 57 Ca -0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3djo h VAL 57 Cb 0.19 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3djo h VAL 57 CO 0.01 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 3djo n SER 59 N -1.95 3.05 -0.08 0.00 7.64 -0.47 -4.99 113.62 116.83 3djo n SER 59 Ca 0.01 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 57.93 3djo n SER 59 Cb 0.11 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 3djo n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3djo n GLN 60 N 0.76 3.55 -2.37 1.43 6.02 -0.11 -5.02 117.38 121.64 3djo n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 3djo n GLN 60 Cb 0.46 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.69 3djo n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3djo s LYS 61 N 4.23 4.23 0.11 -1.09 2.20 -1.16 -4.84 119.74 123.43 3djo s LYS 61 Ca 0.00 1.73 -0.31 0.00 -0.36 0.00 0.00 55.97 57.03 3djo s LYS 61 Cb 0.00 -3.78 -0.09 0.00 -1.51 0.00 0.00 37.83 32.45 3djo s LYS 61 CO 0.00 -0.71 1.63 0.15 -0.36 0.00 0.00 175.35 176.06 3djo s LYS 62 N 3.48 4.20 0.15 4.03 -0.14 -1.26 -0.33 119.74 129.86 3djo s LYS 62 Ca 0.57 2.36 -0.00 0.00 -1.36 0.00 0.00 55.97 57.54 3djo s LYS 62 Cb -0.23 -3.40 -0.04 0.00 -1.68 0.00 0.00 37.83 32.47 3djo s LYS 62 CO 0.17 -0.69 0.04 0.14 -0.76 0.00 0.00 175.35 174.25 3djo s VAL 63 N 1.98 0.31 0.30 3.17 -7.23 -0.84 -4.90 120.40 113.19 3djo s VAL 63 Ca 0.73 -1.94 -0.29 0.00 -1.81 0.00 0.00 61.98 58.67 3djo s VAL 63 Cb -0.42 -2.09 -0.10 0.00 0.56 0.00 0.00 36.38 34.33 3djo s VAL 63 CO 0.32 -0.46 1.34 0.42 -0.31 0.00 0.00 175.10 176.41 3djo s THR 64 N -3.91 2.75 0.27 5.32 -4.23 -1.26 -4.12 115.64 110.47 3djo s THR 64 Ca 0.24 0.71 -0.21 0.00 -1.18 0.00 0.00 61.69 61.25 3djo s THR 64 Cb 0.07 -3.45 -0.09 0.00 1.34 0.00 0.00 72.50 70.37 3djo s THR 64 CO 0.03 0.15 0.80 0.00 -0.54 0.00 0.00 174.62 175.06 3djo h LYS 66 N 3.15 0.00 -0.58 0.00 1.57 -1.90 -0.61 116.57 118.20 3djo h LYS 66 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3djo h LYS 66 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3djo h LYS 66 CO 0.65 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.80 3djo n ASN 67 N -4.30 3.17 0.00 0.86 6.94 -1.26 -4.94 115.26 115.73 3djo n ASN 67 Ca 0.01 -2.05 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 3djo n ASN 67 Cb 0.26 -0.40 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 3djo n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3djo n GLY 68 N 1.35 0.91 3.74 4.83 0.00 -0.24 -5.02 105.19 110.76 3djo n GLY 68 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 3djo n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3djo s GLN 69 N -0.05 1.30 -0.28 1.61 -0.21 -1.26 -4.87 119.66 115.90 3djo s GLN 69 Ca 0.00 0.70 0.08 0.00 0.02 0.00 0.00 55.36 56.16 3djo s GLN 69 Cb 0.00 -1.82 0.45 0.00 1.00 0.00 0.00 33.01 32.64 3djo s GLN 69 CO 0.00 -2.18 1.29 0.25 -2.12 0.00 0.00 175.29 172.54 3djo n THR 70 N -3.82 2.48 -1.44 -0.19 -2.24 -1.26 -3.32 114.28 104.49 3djo n THR 70 Ca 0.07 -3.55 0.07 0.00 -2.27 0.00 0.00 64.05 58.36 3djo n THR 70 Cb 0.56 -0.68 0.19 0.00 -2.10 0.00 0.00 70.33 68.30 3djo n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3djo n ASN 71 N -0.94 1.90 -4.84 3.42 6.94 -1.26 -5.03 115.26 115.45 3djo n ASN 71 Ca 0.34 -3.66 -0.32 0.00 -0.02 0.00 0.00 54.58 50.92 3djo n ASN 71 Cb 0.87 -0.50 -0.06 0.00 -2.36 0.00 0.00 39.78 37.73 3djo n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3djo s TYR 73 N -1.36 -0.02 -0.11 0.00 1.51 0.22 -1.98 117.35 115.61 3djo s TYR 73 Ca 0.29 0.05 -0.03 0.00 -1.01 0.00 0.00 57.07 56.36 3djo s TYR 73 Cb -0.12 0.01 -0.03 0.00 -0.11 0.00 0.00 41.96 41.70 3djo s TYR 73 CO 0.21 -0.01 0.02 -1.14 -1.11 0.00 0.00 175.55 173.51 3djo s GLN 74 N -0.00 3.29 0.48 -0.62 0.74 0.55 -1.22 119.66 122.88 3djo s GLN 74 Ca -0.00 -0.39 -0.23 0.00 0.05 0.00 0.00 55.36 54.79 3djo s GLN 74 Cb -0.00 -2.91 -0.07 0.00 1.10 0.00 0.00 33.01 31.13 3djo s GLN 74 CO 0.00 0.57 1.27 -1.54 -0.55 0.00 0.00 175.29 175.04 3djo s SER 75 N -0.50 5.86 0.48 6.67 1.04 -0.21 -2.97 113.70 124.07 3djo s SER 75 Ca 0.09 2.57 0.27 0.00 0.48 0.00 0.00 55.95 59.36 3djo s SER 75 Cb -0.12 -2.62 1.04 0.00 0.10 0.00 0.00 66.02 64.42 3djo s SER 75 CO 0.02 -1.15 1.87 0.07 0.98 0.00 0.00 173.24 175.03 3djo h LYS 76 N 1.98 0.00 -4.90 4.02 2.10 -1.94 -3.44 116.57 114.39 3djo h LYS 76 Ca -0.50 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 57.83 3djo h LYS 76 Cb 1.27 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.45 3djo h LYS 76 CO 0.60 0.15 -0.66 -1.12 -2.00 0.00 0.00 179.45 176.42 3djo s SER 77 N -6.04 1.39 0.66 7.07 0.01 -1.26 -5.11 113.70 110.41 3djo s SER 77 Ca 0.01 -1.20 -0.15 0.00 1.31 0.00 0.00 55.95 55.91 3djo s SER 77 Cb 0.10 0.09 -0.00 0.00 0.21 0.00 0.00 66.02 66.42 3djo s SER 77 CO 0.61 -0.56 1.13 0.42 0.41 0.00 0.00 173.24 175.24 3djo s THR 78 N -3.59 3.08 0.09 1.44 -4.23 -1.26 -4.45 115.64 106.71 3djo s THR 78 Ca 0.26 0.52 0.06 0.00 -1.18 0.00 0.00 61.69 61.36 3djo s THR 78 Cb 0.06 -3.06 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 3djo s THR 78 CO 0.06 -0.29 -0.16 -0.04 -0.54 0.00 0.00 174.62 173.65 3djo s MET 79 N -3.97 0.95 -0.32 3.99 -1.94 -0.03 -4.88 119.30 113.10 3djo s MET 79 Ca 0.69 -1.07 -0.29 0.00 -1.71 0.00 0.00 55.69 53.31 3djo s MET 79 Cb -0.22 -1.02 0.01 0.00 2.01 0.00 0.00 34.83 35.61 3djo s MET 79 CO 0.40 0.23 1.20 1.03 -0.01 0.00 0.00 175.02 177.87 3djo s ARG 80 N -1.95 3.96 0.16 2.03 0.52 -1.26 -2.50 118.95 119.91 3djo s ARG 80 Ca 0.03 1.13 0.02 0.00 -0.52 0.00 0.00 55.73 56.38 3djo s ARG 80 Cb -0.09 -3.83 -0.05 0.00 0.52 0.00 0.00 34.95 31.51 3djo s ARG 80 CO 0.03 -1.06 -0.03 0.96 0.02 0.00 0.00 175.30 175.23 3djo s ILE 81 N 4.10 0.77 -0.13 1.52 -4.36 -0.30 -0.89 121.20 121.91 3djo s ILE 81 Ca 0.51 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 58.93 3djo s ILE 81 Cb -0.14 -2.01 0.02 0.00 1.25 0.00 0.00 42.46 41.58 3djo s ILE 81 CO 0.21 -0.58 -0.15 -0.89 0.24 0.00 0.00 174.94 173.77 3djo s THR 82 N -3.59 1.55 -0.09 8.37 2.01 0.93 -0.99 115.64 123.82 3djo s THR 82 Ca 0.21 -0.65 -0.21 0.00 0.31 0.00 0.00 61.69 61.35 3djo s THR 82 Cb 0.05 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 3djo s THR 82 CO 0.02 0.45 0.59 -1.81 -0.69 0.00 0.00 174.62 173.19 3djo s ASP 83 N 1.21 6.85 -0.29 3.53 1.01 0.05 -0.86 116.67 128.17 3djo s ASP 83 Ca -0.01 1.01 -0.03 0.00 0.71 0.00 0.00 52.55 54.22 3djo s ASP 83 Cb -0.14 -2.35 0.03 0.00 1.01 0.00 0.00 42.92 41.47 3djo s ASP 83 CO -0.06 -0.06 0.01 0.00 0.21 0.00 0.00 175.17 175.28 3djo s ARG 85 N 1.35 2.67 0.21 0.00 6.06 -0.92 -1.23 118.95 127.09 3djo s ARG 85 Ca -0.01 -0.72 -0.32 0.00 -2.50 0.00 0.00 55.73 52.17 3djo s ARG 85 Cb -0.18 -2.22 -0.12 0.00 0.06 0.00 0.00 34.95 32.49 3djo s ARG 85 CO -0.01 -0.06 1.67 -1.91 -2.50 0.00 0.00 175.30 172.49 3djo n GLU 86 N 4.20 2.63 -1.92 5.12 2.13 -0.34 -0.43 120.64 132.03 3djo n GLU 86 Ca -0.19 0.94 -0.30 0.00 0.66 0.00 0.00 57.16 58.27 3djo n GLU 86 Cb 0.51 -2.76 0.06 0.00 0.27 0.00 0.00 31.44 29.52 3djo n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3djo s THR 87 N 0.89 3.15 0.39 6.31 -4.23 -0.24 -4.84 115.64 117.06 3djo s THR 87 Ca 0.74 0.34 0.07 0.00 -1.18 0.00 0.00 61.69 61.66 3djo s THR 87 Cb -0.54 -3.36 0.21 0.00 1.34 0.00 0.00 72.50 70.14 3djo s THR 87 CO 0.36 -0.47 1.97 1.23 -0.54 0.00 0.00 174.62 177.17 3djo h GLY 88 N -0.72 0.47 1.25 3.99 0.00 -1.93 -2.65 103.07 103.48 3djo h GLY 88 Ca -0.45 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.65 3djo h GLY 88 CO 0.64 0.22 -0.14 1.44 0.00 0.00 0.00 176.54 178.70 3djo n SER 89 N -4.37 0.32 -4.75 0.19 7.64 -1.26 -4.87 113.62 106.52 3djo n SER 89 Ca 0.01 -0.21 -0.41 0.00 1.01 0.00 0.00 58.87 59.27 3djo n SER 89 Cb 0.17 -0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.20 3djo n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3djo s SER 90 N -2.70 6.73 -0.20 6.43 0.15 -1.00 -4.95 113.70 118.15 3djo s SER 90 Ca 0.22 2.62 -0.05 0.00 0.70 0.00 0.00 55.95 59.44 3djo s SER 90 Cb 0.19 -2.63 0.10 0.00 -1.71 0.00 0.00 66.02 61.98 3djo s SER 90 CO 0.53 -0.62 0.39 -0.75 1.20 0.00 0.00 173.24 173.98 3djo s LYS 91 N -0.73 0.31 0.30 5.44 2.36 -1.14 -4.91 119.74 121.37 3djo s LYS 91 Ca 0.56 0.84 -0.28 0.00 -2.55 0.00 0.00 55.97 54.54 3djo s LYS 91 Cb -0.40 0.02 -0.14 0.00 -1.05 0.00 0.00 37.83 36.27 3djo s LYS 91 CO 0.45 -0.38 1.05 0.98 1.55 0.00 0.00 175.35 179.00 3djo n TYR 92 N 5.38 1.43 1.75 4.03 9.36 -1.26 -1.20 117.16 136.65 3djo n TYR 92 Ca -0.07 0.67 0.15 0.00 3.32 0.00 0.00 57.90 61.98 3djo n TYR 92 Cb 0.50 -2.28 0.74 0.00 -0.63 0.00 0.00 39.34 37.67 3djo n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3djo n PRO 93 N 0.67 1.33 -2.80 2.98 -0.04 -1.26 -4.99 135.00 130.89 3djo n PRO 93 Ca 0.09 -0.48 -0.44 0.00 -0.04 0.00 0.00 63.50 62.64 3djo n PRO 93 Cb 0.33 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 3djo n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3djo n ASN 94 N -0.42 5.12 -4.66 3.54 5.03 -0.34 -4.98 115.26 118.54 3djo n ASN 94 Ca 0.21 -2.96 -0.43 0.00 0.87 0.00 0.00 54.58 52.27 3djo n ASN 94 Cb 0.23 -1.62 -0.02 0.00 -1.02 0.00 0.00 39.78 37.35 3djo n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3djo s ALA 96 N 3.38 2.64 0.02 0.00 0.00 -1.26 -4.86 121.76 121.68 3djo s ALA 96 Ca 0.49 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.58 3djo s ALA 96 Cb -0.18 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 3djo s ALA 96 CO 0.11 0.38 -0.16 0.71 0.00 0.00 0.00 175.76 176.79 3djo s TYR 97 N -0.10 1.41 -0.13 0.00 2.02 -1.26 -1.08 117.35 118.21 3djo s TYR 97 Ca -0.02 -0.32 -0.22 0.00 -0.37 0.00 0.00 57.07 56.14 3djo s TYR 97 Cb -0.14 -0.86 -0.03 0.00 -0.40 0.00 0.00 41.96 40.53 3djo s TYR 97 CO 0.04 0.03 0.65 0.21 -1.57 0.00 0.00 175.55 174.90 3djo s LYS 98 N -0.86 4.33 -0.24 -0.62 2.47 0.43 -4.68 119.74 120.57 3djo s LYS 98 Ca 0.05 0.73 -0.18 0.00 -1.56 0.00 0.00 55.97 55.01 3djo s LYS 98 Cb -0.07 -3.50 -0.03 0.00 -1.46 0.00 0.00 37.83 32.76 3djo s LYS 98 CO 0.01 -0.06 0.50 0.99 0.16 0.00 0.00 175.35 176.94 3djo s THR 99 N 1.28 5.10 -0.17 3.43 2.01 -1.26 -2.17 115.64 123.86 3djo s THR 99 Ca 0.33 0.87 0.01 0.00 0.31 0.00 0.00 61.69 63.21 3djo s THR 99 Cb -0.17 -3.82 0.03 0.00 0.01 0.00 0.00 72.50 68.56 3djo s THR 99 CO 0.14 0.13 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.17 3djo s THR 100 N 1.98 1.64 -0.15 -0.82 2.01 -0.47 -4.99 115.64 114.84 3djo s THR 100 Ca 0.22 -0.77 -0.27 0.00 0.31 0.00 0.00 61.69 61.17 3djo s THR 100 Cb -0.15 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 3djo s THR 100 CO 0.09 0.39 0.93 -1.10 -0.69 0.00 0.00 174.62 174.23 3djo s GLN 101 N 1.44 4.35 0.07 4.92 -0.21 -1.26 -0.77 119.66 128.19 3djo s GLN 101 Ca 0.03 1.21 0.03 0.00 0.02 0.00 0.00 55.36 56.65 3djo s GLN 101 Cb -0.14 -3.57 -0.03 0.00 1.00 0.00 0.00 33.01 30.27 3djo s GLN 101 CO -0.10 -0.35 -0.09 0.14 -2.12 0.00 0.00 175.29 172.76 3djo s VAL 102 N 2.20 0.78 -0.33 1.09 -7.23 -0.16 -4.99 120.40 111.77 3djo s VAL 102 Ca 0.43 -1.41 0.01 0.00 -1.81 0.00 0.00 61.98 59.20 3djo s VAL 102 Cb -0.17 -1.07 0.10 0.00 0.56 0.00 0.00 36.38 35.80 3djo s VAL 102 CO 0.14 -0.48 0.08 -1.61 -0.31 0.00 0.00 175.10 172.92 3djo s GLU 103 N -2.30 1.04 0.09 4.82 2.02 -1.26 -1.15 118.70 121.95 3djo s GLU 103 Ca -0.01 -1.43 -0.02 0.00 0.02 0.00 0.00 54.97 53.54 3djo s GLU 103 Cb -0.06 -2.48 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 3djo s GLU 103 CO -0.00 -0.98 0.03 0.15 0.02 0.00 0.00 175.26 174.48 3djo s LYS 104 N 1.28 0.77 0.37 1.61 1.02 -1.04 -4.80 119.74 118.96 3djo s LYS 104 Ca 0.11 -1.29 -0.27 0.00 0.02 0.00 0.00 55.97 54.54 3djo s LYS 104 Cb -0.18 0.24 -0.09 0.00 -0.52 0.00 0.00 37.83 37.27 3djo s LYS 104 CO -0.18 -0.19 1.28 -1.01 -0.92 0.00 0.00 175.35 174.33 3djo s HIS 105 N -3.97 2.96 0.16 3.18 3.76 -0.93 -0.85 115.29 119.59 3djo s HIS 105 Ca 0.14 1.44 0.05 0.00 -0.15 0.00 0.00 55.06 56.54 3djo s HIS 105 Cb 0.07 -3.62 -0.04 0.00 1.11 0.00 0.00 32.58 30.10 3djo s HIS 105 CO -0.05 -1.85 0.12 0.96 -0.85 0.00 0.00 174.74 173.06 3djo s ILE 106 N -1.23 4.41 -0.13 0.60 -4.36 -1.26 -0.57 121.20 118.65 3djo s ILE 106 Ca 0.54 -1.10 0.01 0.00 -0.26 0.00 0.00 60.65 59.83 3djo s ILE 106 Cb -0.37 -3.24 0.02 0.00 1.25 0.00 0.00 42.46 40.11 3djo s ILE 106 CO 0.49 -0.10 -0.15 -0.63 0.24 0.00 0.00 174.94 174.79 3djo s ILE 107 N -1.73 1.56 0.09 8.37 1.01 0.11 -1.04 121.20 129.57 3djo s ILE 107 Ca 0.30 -0.65 0.10 0.00 0.00 0.00 0.00 60.65 60.41 3djo s ILE 107 Cb -0.10 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 3djo s ILE 107 CO 0.23 0.46 -0.26 0.68 0.00 0.00 0.00 174.94 176.04 3djo s VAL 108 N 1.30 2.18 0.11 2.92 -7.23 -0.36 -0.41 120.40 118.91 3djo s VAL 108 Ca 0.01 -1.57 -0.23 0.00 -1.81 0.00 0.00 61.98 58.37 3djo s VAL 108 Cb -0.14 -1.90 -0.07 0.00 0.56 0.00 0.00 36.38 34.84 3djo s VAL 108 CO -0.07 0.21 0.71 0.00 -0.31 0.00 0.00 175.10 175.64 3djo s ALA 109 N -0.94 3.47 0.11 1.32 0.00 -0.01 -0.61 121.76 125.10 3djo s ALA 109 Ca 0.13 0.25 0.09 0.00 0.00 0.00 0.00 51.96 52.42 3djo s ALA 109 Cb -0.10 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 3djo s ALA 109 CO 0.04 0.27 -0.20 0.00 0.00 0.00 0.00 175.76 175.88 3djo s GLY 111 N -1.99 -0.04 0.00 0.00 0.00 -0.16 -4.88 107.32 100.25 3djo s GLY 111 Ca 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.57 3djo s GLY 111 CO 0.08 -0.17 0.00 0.61 0.00 0.00 0.00 173.10 173.62 3djo n GLY 112 N -0.43 -0.81 2.67 0.20 0.00 -1.26 -1.28 105.19 104.28 3djo n GLY 112 Ca -0.06 -1.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 3djo n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3djo s LYS 113 N -1.56 0.40 0.62 1.61 -0.14 -1.26 -2.31 119.74 117.10 3djo s LYS 113 Ca 0.00 -0.36 -0.18 0.00 -1.36 0.00 0.00 55.97 54.07 3djo s LYS 113 Cb 0.00 -1.91 -0.02 0.00 -1.68 0.00 0.00 37.83 34.23 3djo s LYS 113 CO 0.00 -0.72 1.20 -1.25 -0.76 0.00 0.00 175.35 173.83 3djo s PRO 114 N 1.97 2.79 -0.05 -1.68 0.04 -1.26 -5.09 135.00 131.72 3djo s PRO 114 Ca 0.02 1.79 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 3djo s PRO 114 Cb -0.17 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 3djo s PRO 114 CO -0.13 -1.34 1.73 0.45 0.04 0.00 0.00 177.00 177.75 3djo s SER 115 N -1.74 6.57 0.18 6.66 0.15 -0.98 -4.90 113.70 119.65 3djo s SER 115 Ca 0.76 2.26 0.06 0.00 0.70 0.00 0.00 55.95 59.73 3djo s SER 115 Cb -0.30 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.43 3djo s SER 115 CO 0.36 -1.01 -0.11 0.68 1.20 0.00 0.00 173.24 174.36 3djo s VAL 116 N 4.34 1.41 0.29 4.45 -7.23 -0.41 -4.83 120.40 118.42 3djo s VAL 116 Ca 0.77 -2.12 -0.30 0.00 -1.81 0.00 0.00 61.98 58.52 3djo s VAL 116 Cb -0.34 -1.99 -0.11 0.00 0.56 0.00 0.00 36.38 34.50 3djo s VAL 116 CO 0.32 -0.63 1.48 -2.84 -0.31 0.00 0.00 175.10 173.12 3djo s PRO 117 N -3.71 4.21 0.00 4.82 0.02 -1.26 -0.99 135.00 138.09 3djo s PRO 117 Ca 0.21 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.64 3djo s PRO 117 Cb 0.01 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.47 3djo s PRO 117 CO 0.04 -0.48 0.00 1.33 -0.33 0.00 0.00 177.00 177.56 3djo n VAL 118 N 1.90 0.00 -3.76 3.83 0.24 0.41 -4.85 118.33 116.11 3djo n VAL 118 Ca 0.06 -0.07 -0.13 0.00 -2.04 0.00 0.00 64.34 62.16 3djo n VAL 118 Cb 0.39 0.51 -0.11 0.00 -1.47 0.00 0.00 33.84 33.16 3djo n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3djo s HIS 119 N -1.46 -0.34 -0.44 6.34 5.65 -1.17 -4.99 115.29 118.87 3djo s HIS 119 Ca 0.00 0.82 -0.17 0.00 0.25 0.00 0.00 55.06 55.96 3djo s HIS 119 Cb 0.00 0.11 0.04 0.00 -1.18 0.00 0.00 32.58 31.55 3djo s HIS 119 CO 0.00 -0.18 0.46 0.12 -0.65 0.00 0.00 174.74 174.49 3djo s PHE 120 N 0.46 3.16 -0.07 3.88 2.19 -1.26 -0.83 117.98 125.51 3djo s PHE 120 Ca -0.03 -0.49 -0.22 0.00 0.33 0.00 0.00 56.93 56.52 3djo s PHE 120 Cb -0.04 -3.05 -0.30 0.00 -1.31 0.00 0.00 43.02 38.32 3djo s PHE 120 CO -0.02 -0.78 0.83 0.22 1.83 0.00 0.00 175.22 177.30 3djo h ASP 121 N 8.78 0.38 -5.47 6.13 3.58 -1.07 -3.48 116.42 125.27 3djo h ASP 121 Ca -0.27 -0.94 0.33 0.00 0.42 0.00 0.00 57.03 56.57 3djo h ASP 121 Cb 1.11 -0.12 -0.14 0.00 1.72 0.00 0.00 39.33 41.89 3djo h ASP 121 CO 0.84 1.36 0.87 0.00 -2.88 0.00 0.00 179.24 179.42 3djo s ALA 122 N -2.40 -2.27 0.16 -0.78 0.00 -1.06 -4.90 121.76 110.51 3djo s ALA 122 Ca -0.15 0.97 0.11 0.00 0.00 0.00 0.00 51.96 52.89 3djo s ALA 122 Cb 0.01 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 3djo s ALA 122 CO 0.80 -0.95 -0.23 -1.54 0.00 0.00 0.00 175.76 173.84 3djo s SER 123 N -2.80 3.53 0.00 0.00 1.04 -1.26 0.09 113.70 114.30 3djo s SER 123 Ca 0.13 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.81 3djo s SER 123 Cb 0.04 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.84 3djo s SER 123 CO -0.04 0.15 0.23 0.55 0.98 0.00 0.00 173.24 175.11