#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djx n GLU 2 N 0.00 2.42 -1.95 1.64 2.13 -1.26 -4.96 120.64 118.66 3djx n GLU 2 Ca 0.00 0.87 -0.33 0.00 0.66 0.00 0.00 57.16 58.35 3djx n GLU 2 Cb 0.00 -2.64 0.03 0.00 0.27 0.00 0.00 31.44 29.09 3djx n GLU 2 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3djx s SER 3 N 0.79 5.42 0.28 4.31 1.04 -1.26 -4.84 113.70 119.44 3djx s SER 3 Ca 0.73 1.99 -0.02 0.00 0.48 0.00 0.00 55.95 59.12 3djx s SER 3 Cb -0.59 -2.55 0.41 0.00 0.10 0.00 0.00 66.02 63.39 3djx s SER 3 CO 0.40 -1.42 1.92 0.00 0.98 0.00 0.00 173.24 175.13 3djx h ALA 4 N 0.40 1.40 -0.18 5.32 0.00 -1.99 0.15 119.26 124.36 3djx h ALA 4 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3djx h ALA 4 Cb 1.24 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3djx h ALA 4 CO 0.56 0.50 0.12 0.00 0.00 0.00 0.00 179.25 180.42 3djx h ALA 5 N 1.45 0.23 -0.58 0.00 0.00 -2.00 -0.76 119.26 117.62 3djx h ALA 5 Ca 0.38 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 3djx h ALA 5 Cb 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3djx h ALA 5 CO -0.12 -0.28 0.13 0.00 0.00 0.00 0.00 179.25 178.99 3djx h ALA 6 N 1.05 1.15 -0.63 0.00 0.00 -1.80 -1.56 119.26 117.48 3djx h ALA 6 Ca 0.07 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3djx h ALA 6 Cb -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3djx h ALA 6 CO -0.01 0.57 0.18 -0.22 0.00 0.00 0.00 179.25 179.77 3djx h LYS 7 N 0.86 0.98 -0.64 0.00 3.64 -0.40 -0.10 116.57 120.91 3djx h LYS 7 Ca 0.19 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3djx h LYS 7 Cb 0.32 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 3djx h LYS 7 CO 0.00 0.87 0.38 0.35 -2.27 0.00 0.00 179.45 178.79 3djx h PHE 8 N 0.90 0.85 -0.69 1.91 3.04 -0.84 0.14 116.94 122.26 3djx h PHE 8 Ca 0.20 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.10 3djx h PHE 8 Cb 0.31 -0.28 -0.03 0.00 2.56 0.00 0.00 35.95 38.51 3djx h PHE 8 CO 0.02 0.58 0.26 0.93 -2.02 0.00 0.00 178.31 178.09 3djx h GLU 9 N 0.87 1.03 -0.13 1.11 5.08 -0.81 0.12 114.58 121.85 3djx h GLU 9 Ca 0.23 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3djx h GLU 9 Cb -0.02 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3djx h GLU 9 CO -0.04 0.87 0.05 -0.09 -1.00 0.00 0.00 179.01 178.79 3djx h ARG 10 N 0.98 0.20 0.00 2.33 2.43 -0.71 -1.91 114.38 117.70 3djx h ARG 10 Ca 0.23 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.19 3djx h ARG 10 Cb 0.23 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 3djx h ARG 10 CO -0.02 0.31 -0.82 1.96 -1.51 0.00 0.00 179.97 179.90 3djx h GLN 11 N 0.05 0.00 0.00 0.20 4.20 -0.55 -3.40 115.11 115.60 3djx h GLN 11 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3djx h GLN 11 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3djx h GLN 11 CO -0.00 0.82 0.00 0.72 -0.67 0.00 0.00 178.83 179.69 3djx n HIS 12 N -3.57 0.00 -4.30 2.96 8.25 0.39 -5.04 115.22 113.91 3djx n HIS 12 Ca -0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.11 3djx n HIS 12 Cb 0.78 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.77 3djx n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3djx s MET 13 N -0.43 3.58 -0.39 -0.41 -1.94 -0.72 -4.99 119.30 114.00 3djx s MET 13 Ca 0.00 -0.56 0.09 0.00 -1.71 0.00 0.00 55.69 53.52 3djx s MET 13 Cb 0.00 -2.93 0.29 0.00 2.01 0.00 0.00 34.83 34.20 3djx s MET 13 CO 0.00 0.12 0.61 -3.47 -0.01 0.00 0.00 175.02 172.27 3djx n ASP 14 N 3.89 0.57 0.23 3.03 2.03 -1.26 -4.82 116.55 120.22 3djx n ASP 14 Ca -0.17 -2.85 0.10 0.00 0.52 0.00 0.00 54.79 52.39 3djx n ASP 14 Cb 0.52 -0.63 0.52 0.00 -0.72 0.00 0.00 41.12 40.80 3djx n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3djx h SER 15 N 3.60 0.00 -0.37 1.67 0.02 -1.98 -3.26 113.55 113.24 3djx h SER 15 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3djx h SER 15 Cb 0.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.44 3djx h SER 15 CO 0.49 0.22 0.00 0.61 -1.14 0.00 0.00 176.83 177.01 3djx n GLY 16 N -0.10 1.70 3.08 -3.77 0.00 -1.26 -4.94 105.19 99.89 3djx n GLY 16 Ca -0.01 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 3djx n GLY 16 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3djx s ASN 17 N -1.46 0.56 -0.20 1.61 0.01 -1.23 -5.13 114.94 109.08 3djx s ASN 17 Ca 0.37 -0.86 -0.13 0.00 -0.71 0.00 0.00 52.86 51.54 3djx s ASN 17 Cb 0.22 0.15 -0.05 0.00 0.41 0.00 0.00 41.25 41.98 3djx s ASN 17 CO 0.31 -0.48 0.25 -0.55 -1.51 0.00 0.00 177.10 175.12 3djx s SER 18 N -2.51 6.30 0.28 -1.22 0.15 -1.26 -4.99 113.70 110.45 3djx s SER 18 Ca 0.01 0.34 0.24 0.00 0.70 0.00 0.00 55.95 57.24 3djx s SER 18 Cb 0.02 -2.16 1.04 0.00 -1.71 0.00 0.00 66.02 63.22 3djx s SER 18 CO -0.06 0.05 1.71 -0.81 1.20 0.00 0.00 173.24 175.33 3djx n PRO 19 N 4.05 0.19 -0.22 5.44 -0.04 -1.26 -2.25 135.00 140.91 3djx n PRO 19 Ca -0.13 0.48 0.11 0.00 -0.04 0.00 0.00 63.50 63.92 3djx n PRO 19 Cb 0.52 -1.91 0.26 0.00 -0.04 0.00 0.00 33.50 32.33 3djx n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3djx n SER 20 N -2.27 3.09 -4.77 3.54 3.41 -1.26 -4.95 113.62 110.41 3djx n SER 20 Ca 0.01 -1.95 -0.40 0.00 -0.26 0.00 0.00 58.87 56.27 3djx n SER 20 Cb 0.19 -0.29 -0.02 0.00 -0.26 0.00 0.00 64.21 63.83 3djx n SER 20 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3djx s SER 21 N -1.32 6.65 0.02 4.04 0.15 -0.96 -4.93 113.70 117.36 3djx s SER 21 Ca 0.39 2.62 0.22 0.00 0.70 0.00 0.00 55.95 59.88 3djx s SER 21 Cb 0.21 -2.64 -0.11 0.00 -1.71 0.00 0.00 66.02 61.77 3djx s SER 21 CO 0.29 -0.61 0.88 -1.54 1.20 0.00 0.00 173.24 173.46 3djx n SER 22 N 0.57 0.60 -1.02 5.45 3.41 -1.26 -4.46 113.62 116.91 3djx n SER 22 Ca 0.01 -0.41 0.12 0.00 -0.26 0.00 0.00 58.87 58.33 3djx n SER 22 Cb 0.43 1.10 0.19 0.00 -0.26 0.00 0.00 64.21 65.67 3djx n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3djx n SER 23 N -1.87 3.10 -0.65 4.04 3.41 -1.26 -3.92 113.62 116.46 3djx n SER 23 Ca 0.01 -1.96 0.13 0.00 -0.26 0.00 0.00 58.87 56.79 3djx n SER 23 Cb 0.43 -0.13 0.38 0.00 -0.26 0.00 0.00 64.21 64.63 3djx n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3djx n ASN 24 N 1.32 2.01 0.01 4.04 5.15 -1.26 -4.38 115.26 122.15 3djx n ASN 24 Ca 0.17 -1.69 -0.10 0.00 -0.60 0.00 0.00 54.58 52.36 3djx n ASN 24 Cb 0.58 -0.04 -0.04 0.00 -0.53 0.00 0.00 39.78 39.75 3djx n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3djx h TYR 25 N 2.99 -0.30 -0.89 1.20 3.20 -1.87 -2.18 116.97 119.13 3djx h TYR 25 Ca 0.00 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.90 3djx h TYR 25 Cb 0.64 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 3djx h TYR 25 CO 0.04 -0.18 0.59 0.00 -1.64 0.00 0.00 178.16 176.97 3djx h ASN 27 N 1.20 0.68 -0.05 0.00 2.35 -1.69 0.61 115.58 118.69 3djx h ASN 27 Ca 0.32 0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.96 3djx h ASN 27 Cb -0.14 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.12 3djx h ASN 27 CO -0.07 0.45 -0.48 -0.07 -1.65 0.00 0.00 177.43 175.61 3djx h LEU 28 N 0.82 0.51 -0.26 1.61 3.38 -0.96 -3.06 115.31 117.35 3djx h LEU 28 Ca 0.32 -0.70 -0.20 0.00 0.09 0.00 0.00 57.88 57.39 3djx h LEU 28 Cb 0.14 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3djx h LEU 28 CO -0.16 1.13 -0.67 -0.03 0.09 0.00 0.00 178.44 178.80 3djx h MET 29 N -0.07 0.78 -0.79 1.13 4.05 -0.57 0.17 114.93 119.62 3djx h MET 29 Ca -0.05 -0.57 0.01 0.00 -0.28 0.00 0.00 59.70 58.81 3djx h MET 29 Cb 1.16 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 32.02 3djx h MET 29 CO 0.10 1.19 0.52 0.52 0.23 0.00 0.00 176.91 179.47 3djx h MET 30 N 0.56 1.03 0.06 0.39 2.86 -1.01 0.97 114.93 119.79 3djx h MET 30 Ca -0.02 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3djx h MET 30 Cb 1.29 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.71 3djx h MET 30 CO 0.14 0.68 -0.03 0.00 1.06 0.00 0.00 176.91 178.76 3djx n ARG 33 N -4.85 2.33 -3.04 0.00 5.12 0.29 -4.91 116.66 111.60 3djx n ARG 33 Ca 0.09 -1.46 -0.13 0.00 -1.93 0.00 0.00 57.85 54.41 3djx n ARG 33 Cb 0.21 -1.54 0.04 0.00 -1.16 0.00 0.00 32.46 30.02 3djx n ARG 33 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3djx n LYS 34 N 0.49 -4.20 -0.42 5.56 5.02 -0.84 -4.92 118.16 118.85 3djx n LYS 34 Ca 0.13 0.47 0.08 0.00 -2.02 0.00 0.00 58.31 56.98 3djx n LYS 34 Cb 0.49 -4.43 0.25 0.00 -0.02 0.00 0.00 35.03 31.32 3djx n LYS 34 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3djx n MET 35 N -2.96 2.95 -0.16 1.97 2.81 -0.29 -4.46 117.12 116.98 3djx n MET 35 Ca -0.01 -2.74 0.04 0.00 -1.81 0.00 0.00 57.70 53.18 3djx n MET 35 Cb 0.54 -1.78 0.06 0.00 -0.71 0.00 0.00 33.22 31.33 3djx n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3djx n THR 36 N -0.35 0.99 -3.60 2.03 -2.24 -1.24 -1.65 114.28 108.21 3djx n THR 36 Ca 0.20 -1.15 -0.36 0.00 -2.27 0.00 0.00 64.05 60.47 3djx n THR 36 Cb 0.84 0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 69.24 3djx n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3djx s GLN 37 N -1.40 4.22 0.00 -0.78 -0.21 -1.26 -4.39 119.66 115.83 3djx s GLN 37 Ca 0.13 -0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.48 3djx s GLN 37 Cb 0.12 -3.44 0.00 0.00 1.00 0.00 0.00 33.01 30.69 3djx s GLN 37 CO 0.01 0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.82 3djx n GLY 38 N 3.53 1.43 3.48 3.09 0.00 -1.26 -4.84 105.19 110.62 3djx n GLY 38 Ca -0.13 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 3djx n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3djx s LYS 39 N 0.00 1.22 -0.28 1.61 -2.85 -1.26 -5.07 119.74 113.11 3djx s LYS 39 Ca 0.00 -0.48 -0.29 0.00 -1.00 0.00 0.00 55.97 54.20 3djx s LYS 39 Cb 0.00 0.55 0.01 0.00 -2.06 0.00 0.00 37.83 36.33 3djx s LYS 39 CO 0.00 -0.54 1.06 0.00 0.10 0.00 0.00 175.35 175.97 3djx s LYS 41 N 3.46 4.16 0.30 0.00 2.20 -0.66 -4.88 119.74 124.33 3djx s LYS 41 Ca 0.45 2.46 0.07 0.00 -0.36 0.00 0.00 55.97 58.59 3djx s LYS 41 Cb -0.13 -3.69 0.48 0.00 -1.51 0.00 0.00 37.83 32.98 3djx s LYS 41 CO 0.11 -0.81 1.71 -1.00 -0.36 0.00 0.00 175.35 175.01 3djx h PRO 42 N 8.78 0.23 -3.23 4.03 0.14 -1.94 -3.44 132.00 136.57 3djx h PRO 42 Ca -0.45 -0.11 -0.23 0.00 0.14 0.00 0.00 66.00 65.36 3djx h PRO 42 Cb 1.21 -0.00 -0.31 0.00 0.14 0.00 0.00 31.00 32.04 3djx h PRO 42 CO 0.94 0.60 -0.58 0.08 0.14 0.00 0.00 178.00 179.18 3djx s VAL 43 N -4.17 -0.04 -0.18 1.56 1.01 -1.26 -1.11 120.40 116.21 3djx s VAL 43 Ca -0.04 0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 3djx s VAL 43 Cb 0.13 -0.26 0.05 0.00 0.00 0.00 0.00 36.38 36.30 3djx s VAL 43 CO 0.77 0.07 0.49 0.21 0.00 0.00 0.00 175.10 176.63 3djx s ASN 44 N 1.10 -0.51 -0.09 3.32 2.47 -0.21 -5.02 114.94 115.99 3djx s ASN 44 Ca -0.08 0.98 0.00 0.00 0.42 0.00 0.00 52.86 54.18 3djx s ASN 44 Cb -0.11 0.99 -0.03 0.00 -1.45 0.00 0.00 41.25 40.66 3djx s ASN 44 CO -0.06 -0.17 -0.08 -0.89 -3.72 0.00 0.00 177.10 172.18 3djx s THR 45 N 0.33 3.54 -0.09 -5.21 2.01 -1.26 -0.71 115.64 114.25 3djx s THR 45 Ca -0.01 -0.52 -0.01 0.00 0.31 0.00 0.00 61.69 61.46 3djx s THR 45 Cb -0.04 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 3djx s THR 45 CO -0.00 0.56 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.09 3djx s PHE 46 N -0.35 3.03 -0.12 4.92 0.08 -0.25 -4.97 117.98 120.32 3djx s PHE 46 Ca 0.05 0.02 -0.02 0.00 0.12 0.00 0.00 56.93 57.10 3djx s PHE 46 Cb -0.12 -1.78 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 3djx s PHE 46 CO 0.02 0.31 -0.05 0.08 -0.10 0.00 0.00 175.22 175.48 3djx s VAL 47 N -0.61 3.78 -1.67 -0.44 1.01 -1.26 -0.19 120.40 121.02 3djx s VAL 47 Ca 0.10 -0.42 0.15 0.00 0.00 0.00 0.00 61.98 61.81 3djx s VAL 47 Cb -0.12 -2.61 0.07 0.00 0.00 0.00 0.00 36.38 33.71 3djx s VAL 47 CO 0.02 0.53 0.91 1.41 0.00 0.00 0.00 175.10 177.97 3djx n HIS 48 N 3.05 0.00 -1.39 5.22 -0.00 0.27 -4.96 115.22 117.42 3djx n HIS 48 Ca -0.18 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.25 3djx n HIS 48 Cb 0.53 0.00 0.16 0.00 -0.00 0.00 0.00 29.99 30.68 3djx n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3djx s GLU 49 N -1.50 0.62 0.68 -0.41 0.41 -1.25 -4.98 118.70 112.27 3djx s GLU 49 Ca 0.15 0.28 -0.16 0.00 -0.41 0.00 0.00 54.97 54.83 3djx s GLU 49 Cb 0.12 -1.78 0.01 0.00 -1.78 0.00 0.00 34.13 30.71 3djx s GLU 49 CO 0.27 -2.55 1.21 -1.54 -0.49 0.00 0.00 175.26 172.16 3djx s SER 50 N -3.87 4.58 0.30 -0.19 1.04 -1.26 -4.85 113.70 109.44 3djx s SER 50 Ca 0.66 2.35 0.00 0.00 0.48 0.00 0.00 55.95 59.44 3djx s SER 50 Cb -0.15 -2.59 0.51 0.00 0.10 0.00 0.00 66.02 63.89 3djx s SER 50 CO 0.55 -2.00 1.91 0.25 0.98 0.00 0.00 173.24 174.92 3djx h LEU 51 N 0.12 0.92 -0.36 2.42 5.85 -1.96 -1.70 115.31 120.61 3djx h LEU 51 Ca -0.49 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.27 3djx h LEU 51 Cb 1.30 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 3djx h LEU 51 CO 0.52 0.59 0.16 0.00 -0.34 0.00 0.00 178.44 179.38 3djx h ALA 52 N 1.50 0.43 -0.76 1.25 0.00 -1.99 0.73 119.26 120.43 3djx h ALA 52 Ca 0.40 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 3djx h ALA 52 Cb 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3djx h ALA 52 CO -0.15 -0.21 0.38 -0.44 0.00 0.00 0.00 179.25 178.82 3djx h ASP 53 N 0.34 0.97 -0.18 0.00 3.32 -1.76 -1.06 116.42 118.06 3djx h ASP 53 Ca 0.15 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3djx h ASP 53 Cb 0.08 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 3djx h ASP 53 CO -0.12 0.81 -0.15 0.58 -1.72 0.00 0.00 179.24 178.65 3djx h VAL 54 N 1.07 1.33 -0.63 -1.35 2.07 -0.89 -3.05 116.25 114.81 3djx h VAL 54 Ca 0.26 -1.28 0.07 0.00 0.82 0.00 0.00 66.70 66.57 3djx h VAL 54 Cb 0.09 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3djx h VAL 54 CO -0.04 0.38 0.42 0.11 0.02 0.00 0.00 177.57 178.46 3djx h LYS 55 N 0.08 0.57 0.00 1.57 1.57 -0.66 -2.05 116.57 117.65 3djx h LYS 55 Ca 0.03 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3djx h LYS 55 Cb 0.67 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 3djx h LYS 55 CO 0.04 0.38 -0.07 0.00 -0.57 0.00 0.00 179.45 179.22 3djx h ALA 56 N 1.67 1.18 -0.44 3.86 0.00 -1.08 -2.53 119.26 121.90 3djx h ALA 56 Ca 0.27 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.23 3djx h ALA 56 Cb 0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3djx h ALA 56 CO -0.08 0.09 0.31 0.28 0.00 0.00 0.00 179.25 179.85 3djx h VAL 57 N 0.00 0.83 0.00 0.00 2.07 -1.36 0.05 116.25 117.84 3djx h VAL 57 Ca -0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3djx h VAL 57 Cb 0.29 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3djx h VAL 57 CO 0.01 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.62 3djx n SER 59 N -1.84 3.03 -0.01 0.00 7.64 0.00 -5.00 113.62 117.44 3djx n SER 59 Ca 0.01 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 57.99 3djx n SER 59 Cb 0.09 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 3djx n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3djx n GLN 60 N 0.95 3.29 -2.54 1.43 6.02 0.09 -5.00 117.38 121.63 3djx n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.71 3djx n GLN 60 Cb 0.47 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.71 3djx n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3djx s LYS 61 N 4.66 4.24 0.07 -1.09 2.20 -1.01 -4.83 119.74 123.97 3djx s LYS 61 Ca 0.00 1.51 -0.31 0.00 -0.36 0.00 0.00 55.97 56.81 3djx s LYS 61 Cb 0.00 -3.71 -0.08 0.00 -1.51 0.00 0.00 37.83 32.53 3djx s LYS 61 CO 0.00 -0.68 1.65 0.15 -0.36 0.00 0.00 175.35 176.12 3djx s LYS 62 N 3.36 4.20 0.14 4.03 -0.14 -1.26 0.31 119.74 130.38 3djx s LYS 62 Ca 0.49 2.34 0.01 0.00 -1.36 0.00 0.00 55.97 57.45 3djx s LYS 62 Cb -0.18 -3.59 -0.04 0.00 -1.68 0.00 0.00 37.83 32.34 3djx s LYS 62 CO 0.11 -0.73 0.01 0.14 -0.76 0.00 0.00 175.35 174.11 3djx s VAL 63 N 2.60 0.44 0.30 3.17 -7.23 -0.74 -4.90 120.40 114.04 3djx s VAL 63 Ca 0.74 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 58.68 3djx s VAL 63 Cb -0.40 -2.00 -0.11 0.00 0.56 0.00 0.00 36.38 34.43 3djx s VAL 63 CO 0.32 -0.56 1.59 0.42 -0.31 0.00 0.00 175.10 176.57 3djx s THR 64 N -3.81 2.03 0.30 5.32 -4.23 -1.26 -4.08 115.64 109.90 3djx s THR 64 Ca 0.21 0.02 -0.22 0.00 -1.18 0.00 0.00 61.69 60.53 3djx s THR 64 Cb 0.07 -3.02 -0.09 0.00 1.34 0.00 0.00 72.50 70.80 3djx s THR 64 CO 0.01 0.00 0.84 0.00 -0.54 0.00 0.00 174.62 174.94 3djx h LYS 66 N 2.99 0.00 -0.59 0.00 1.57 -1.91 -1.19 116.57 117.45 3djx h LYS 66 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3djx h LYS 66 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3djx h LYS 66 CO 0.65 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.80 3djx n ASN 67 N -4.31 3.34 0.00 0.86 6.94 -1.26 -4.94 115.26 115.89 3djx n ASN 67 Ca 0.08 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.66 3djx n ASN 67 Cb 0.56 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 3djx n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3djx n GLY 68 N 1.50 0.94 3.69 4.83 0.00 -0.45 -5.02 105.19 110.68 3djx n GLY 68 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3djx n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3djx s GLN 69 N -0.06 0.41 -0.25 1.61 -0.21 -1.26 -4.88 119.66 115.01 3djx s GLN 69 Ca 0.00 0.40 0.09 0.00 0.02 0.00 0.00 55.36 55.87 3djx s GLN 69 Cb 0.00 -1.74 0.44 0.00 1.00 0.00 0.00 33.01 32.71 3djx s GLN 69 CO 0.00 -2.72 1.21 0.25 -2.12 0.00 0.00 175.29 171.90 3djx n THR 70 N -4.15 2.36 -1.55 -0.19 -2.24 -1.26 -3.53 114.28 103.72 3djx n THR 70 Ca 0.06 -3.72 0.07 0.00 -2.27 0.00 0.00 64.05 58.19 3djx n THR 70 Cb 0.58 -0.67 0.16 0.00 -2.10 0.00 0.00 70.33 68.29 3djx n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3djx n ASN 71 N -0.92 1.74 -4.88 3.42 6.94 -1.26 -5.04 115.26 115.25 3djx n ASN 71 Ca 0.31 -3.35 -0.32 0.00 -0.02 0.00 0.00 54.58 51.20 3djx n ASN 71 Cb 0.83 -0.46 -0.05 0.00 -2.36 0.00 0.00 39.78 37.74 3djx n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3djx s TYR 73 N -1.42 0.25 -0.11 0.00 1.51 0.08 -1.78 117.35 115.88 3djx s TYR 73 Ca 0.31 -0.11 -0.02 0.00 -1.01 0.00 0.00 57.07 56.24 3djx s TYR 73 Cb -0.13 -0.16 -0.03 0.00 -0.11 0.00 0.00 41.96 41.53 3djx s TYR 73 CO 0.24 -0.02 -0.02 -1.14 -1.11 0.00 0.00 175.55 173.49 3djx s GLN 74 N -0.26 3.17 0.29 -0.62 0.74 0.15 -1.03 119.66 122.10 3djx s GLN 74 Ca -0.01 -0.46 -0.29 0.00 0.05 0.00 0.00 55.36 54.64 3djx s GLN 74 Cb -0.02 -2.80 -0.10 0.00 1.10 0.00 0.00 33.01 31.18 3djx s GLN 74 CO -0.00 0.55 1.38 -1.54 -0.55 0.00 0.00 175.29 175.14 3djx s SER 75 N -0.48 6.69 0.41 6.67 1.04 -0.16 -2.41 113.70 125.45 3djx s SER 75 Ca 0.08 2.69 0.11 0.00 0.48 0.00 0.00 55.95 59.31 3djx s SER 75 Cb -0.12 -2.64 0.86 0.00 0.10 0.00 0.00 66.02 64.23 3djx s SER 75 CO 0.02 -0.64 1.96 0.07 0.98 0.00 0.00 173.24 175.63 3djx h LYS 76 N 4.24 0.20 -6.19 4.02 2.10 -1.95 -3.44 116.57 115.56 3djx h LYS 76 Ca -0.47 -0.04 -0.61 0.00 -2.00 0.00 0.00 60.65 57.53 3djx h LYS 76 Cb 1.22 -0.03 -0.14 0.00 -0.90 0.00 0.00 32.23 32.38 3djx h LYS 76 CO 0.72 0.31 -0.76 -1.12 -2.00 0.00 0.00 179.45 176.61 3djx s SER 77 N -6.90 3.58 0.70 7.07 0.01 -1.26 -5.10 113.70 111.79 3djx s SER 77 Ca -0.05 -1.04 -0.13 0.00 1.31 0.00 0.00 55.95 56.03 3djx s SER 77 Cb 0.16 -0.30 0.02 0.00 0.21 0.00 0.00 66.02 66.11 3djx s SER 77 CO 0.72 0.02 1.10 0.42 0.41 0.00 0.00 173.24 175.92 3djx s THR 78 N -2.52 3.28 0.09 1.44 -4.23 -1.26 -4.55 115.64 107.89 3djx s THR 78 Ca 0.30 0.53 0.06 0.00 -1.18 0.00 0.00 61.69 61.41 3djx s THR 78 Cb -0.05 -3.04 -0.03 0.00 1.34 0.00 0.00 72.50 70.72 3djx s THR 78 CO 0.15 -0.43 -0.17 -0.04 -0.54 0.00 0.00 174.62 173.59 3djx s MET 79 N -4.37 0.96 -0.23 3.99 -1.94 0.11 -4.89 119.30 112.94 3djx s MET 79 Ca 0.65 -1.07 -0.29 0.00 -1.71 0.00 0.00 55.69 53.26 3djx s MET 79 Cb -0.19 -1.05 -0.00 0.00 2.01 0.00 0.00 34.83 35.59 3djx s MET 79 CO 0.46 0.23 1.24 1.03 -0.01 0.00 0.00 175.02 177.98 3djx s ARG 80 N -1.93 4.12 0.14 2.03 0.52 -1.26 -2.37 118.95 120.20 3djx s ARG 80 Ca 0.03 1.46 0.00 0.00 -0.52 0.00 0.00 55.73 56.69 3djx s ARG 80 Cb -0.09 -3.79 -0.04 0.00 0.52 0.00 0.00 34.95 31.55 3djx s ARG 80 CO 0.03 -0.85 0.03 0.96 0.02 0.00 0.00 175.30 175.50 3djx s ILE 81 N 3.76 0.33 -0.11 1.52 -4.36 -0.29 -0.57 121.20 121.49 3djx s ILE 81 Ca 0.53 -1.93 0.02 0.00 -0.26 0.00 0.00 60.65 59.01 3djx s ILE 81 Cb -0.19 -2.06 0.01 0.00 1.25 0.00 0.00 42.46 41.48 3djx s ILE 81 CO 0.16 -0.49 -0.17 -0.89 0.24 0.00 0.00 174.94 173.79 3djx s THR 82 N -3.89 1.65 -0.19 8.37 2.01 0.73 -1.16 115.64 123.16 3djx s THR 82 Ca 0.23 -0.74 -0.16 0.00 0.31 0.00 0.00 61.69 61.33 3djx s THR 82 Cb 0.07 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 3djx s THR 82 CO 0.02 0.47 0.40 -0.62 -0.69 0.00 0.00 174.62 174.20 3djx s ASP 83 N 0.84 6.45 -0.20 3.53 -1.08 -0.16 -1.09 116.67 124.98 3djx s ASP 83 Ca -0.09 0.54 -0.02 0.00 -0.52 0.00 0.00 52.55 52.46 3djx s ASP 83 Cb -0.15 -2.23 0.00 0.00 -1.46 0.00 0.00 42.92 39.08 3djx s ASP 83 CO 0.00 -0.06 -0.11 0.00 0.52 0.00 0.00 175.17 175.51 3djx s ARG 85 N 1.34 1.72 0.30 0.00 1.81 -0.94 -1.05 118.95 122.14 3djx s ARG 85 Ca 0.05 -0.51 -0.29 0.00 -1.72 0.00 0.00 55.73 53.25 3djx s ARG 85 Cb -0.14 -1.45 -0.12 0.00 -0.45 0.00 0.00 34.95 32.79 3djx s ARG 85 CO -0.07 0.14 1.43 -1.91 -0.68 0.00 0.00 175.30 174.21 3djx n GLU 86 N 3.46 2.32 -1.86 3.54 2.13 -0.26 0.01 120.64 129.97 3djx n GLU 86 Ca -0.20 0.82 -0.30 0.00 0.66 0.00 0.00 57.16 58.14 3djx n GLU 86 Cb 0.53 -2.50 0.05 0.00 0.27 0.00 0.00 31.44 29.79 3djx n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3djx s THR 87 N -0.50 3.41 0.43 6.31 -4.23 -0.24 -4.77 115.64 116.05 3djx s THR 87 Ca 0.61 0.46 0.11 0.00 -1.18 0.00 0.00 61.69 61.69 3djx s THR 87 Cb -0.56 -3.44 0.22 0.00 1.34 0.00 0.00 72.50 70.06 3djx s THR 87 CO 0.55 -0.60 2.02 1.23 -0.54 0.00 0.00 174.62 177.28 3djx h GLY 88 N -0.69 0.27 2.00 3.99 0.00 -1.94 -2.58 103.07 104.11 3djx h GLY 88 Ca -0.45 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 3djx h GLY 88 CO 0.64 0.12 -0.27 1.76 0.00 0.00 0.00 176.54 178.79 3djx h SER 89 N 0.25 0.00 -2.16 0.19 0.02 -1.94 -3.46 113.55 106.45 3djx h SER 89 Ca 0.06 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.41 3djx h SER 89 Cb 0.16 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.74 3djx h SER 89 CO 0.00 0.27 0.92 -0.24 -1.14 0.00 0.00 176.83 176.64 3djx n SER 90 N -3.21 3.22 -3.56 3.07 2.88 -0.97 -4.97 113.62 110.07 3djx n SER 90 Ca 0.02 1.04 -0.16 0.00 -1.33 0.00 0.00 58.87 58.44 3djx n SER 90 Cb 0.60 -1.40 -0.13 0.00 -0.75 0.00 0.00 64.21 62.53 3djx n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3djx s LYS 91 N 2.25 0.17 0.19 -1.46 2.20 -1.09 -4.91 119.74 117.08 3djx s LYS 91 Ca 0.85 0.47 -0.31 0.00 -0.36 0.00 0.00 55.97 56.62 3djx s LYS 91 Cb -0.69 -0.61 -0.16 0.00 -1.51 0.00 0.00 37.83 34.86 3djx s LYS 91 CO 0.44 -0.48 1.00 0.98 -0.36 0.00 0.00 175.35 176.93 3djx n TYR 92 N 5.34 0.92 0.46 4.03 9.36 -1.26 -0.59 117.16 135.42 3djx n TYR 92 Ca -0.05 0.77 0.06 0.00 3.32 0.00 0.00 57.90 61.99 3djx n TYR 92 Cb 0.50 -2.20 0.19 0.00 -0.63 0.00 0.00 39.34 37.20 3djx n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3djx n PRO 93 N 1.35 2.33 -3.20 2.98 -0.04 -1.26 -4.99 135.00 132.17 3djx n PRO 93 Ca 0.15 -1.55 -0.45 0.00 -0.04 0.00 0.00 63.50 61.61 3djx n PRO 93 Cb 0.25 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 3djx n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3djx n ASN 94 N 0.58 5.57 -4.66 3.54 4.13 0.24 -5.01 115.26 119.64 3djx n ASN 94 Ca 0.14 -3.07 -0.43 0.00 1.68 0.00 0.00 54.58 52.90 3djx n ASN 94 Cb 0.48 -1.40 -0.02 0.00 -1.54 0.00 0.00 39.78 37.30 3djx n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3djx s ALA 96 N 3.19 2.16 0.04 0.00 0.00 -1.26 -4.90 121.76 120.98 3djx s ALA 96 Ca 0.45 -1.04 0.06 0.00 0.00 0.00 0.00 51.96 51.43 3djx s ALA 96 Cb -0.16 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 3djx s ALA 96 CO 0.08 0.41 -0.18 0.71 0.00 0.00 0.00 175.76 176.78 3djx s TYR 97 N -0.14 1.58 -0.16 0.00 2.02 -1.26 -1.08 117.35 118.31 3djx s TYR 97 Ca -0.04 -0.36 -0.21 0.00 -0.37 0.00 0.00 57.07 56.08 3djx s TYR 97 Cb -0.14 -0.94 -0.03 0.00 -0.40 0.00 0.00 41.96 40.45 3djx s TYR 97 CO 0.04 0.07 0.64 0.21 -1.57 0.00 0.00 175.55 174.94 3djx s LYS 98 N -1.14 4.28 -0.22 -0.62 2.47 0.10 -4.68 119.74 119.93 3djx s LYS 98 Ca 0.05 0.68 -0.15 0.00 -1.56 0.00 0.00 55.97 54.99 3djx s LYS 98 Cb -0.08 -3.54 -0.04 0.00 -1.46 0.00 0.00 37.83 32.71 3djx s LYS 98 CO 0.02 -0.14 0.38 0.99 0.16 0.00 0.00 175.35 176.75 3djx s THR 99 N 1.57 5.20 -0.15 3.43 2.01 -1.26 -2.23 115.64 124.22 3djx s THR 99 Ca 0.31 0.65 0.01 0.00 0.31 0.00 0.00 61.69 62.97 3djx s THR 99 Cb -0.16 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.66 3djx s THR 99 CO 0.12 0.23 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.22 3djx s THR 100 N 1.50 1.73 -0.03 -0.82 2.01 -0.38 -4.99 115.64 114.66 3djx s THR 100 Ca 0.17 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 61.13 3djx s THR 100 Cb -0.15 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 3djx s THR 100 CO 0.08 0.49 1.05 -1.10 -0.69 0.00 0.00 174.62 174.45 3djx s GLN 101 N 1.24 4.47 0.03 4.92 -0.21 -1.26 -0.98 119.66 127.87 3djx s GLN 101 Ca 0.01 1.50 0.01 0.00 0.02 0.00 0.00 55.36 56.89 3djx s GLN 101 Cb -0.14 -3.48 -0.02 0.00 1.00 0.00 0.00 33.01 30.36 3djx s GLN 101 CO -0.08 -0.22 -0.04 0.14 -2.12 0.00 0.00 175.29 172.97 3djx s VAL 102 N 1.51 0.27 -0.32 1.09 -7.23 -0.31 -4.98 120.40 110.43 3djx s VAL 102 Ca 0.52 -1.11 0.03 0.00 -1.81 0.00 0.00 61.98 59.62 3djx s VAL 102 Cb -0.22 -0.56 0.09 0.00 0.56 0.00 0.00 36.38 36.25 3djx s VAL 102 CO 0.24 -0.54 0.01 -1.61 -0.31 0.00 0.00 175.10 172.89 3djx s GLU 103 N -1.88 1.63 0.14 4.82 2.02 -1.26 -1.14 118.70 123.03 3djx s GLU 103 Ca -0.10 -1.69 0.00 0.00 0.02 0.00 0.00 54.97 53.20 3djx s GLU 103 Cb -0.07 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 3djx s GLU 103 CO -0.02 -0.84 0.03 0.15 0.02 0.00 0.00 175.26 174.60 3djx s LYS 104 N 1.00 0.98 0.33 1.61 1.02 -1.00 -4.80 119.74 118.88 3djx s LYS 104 Ca 0.06 -1.46 -0.28 0.00 0.02 0.00 0.00 55.97 54.31 3djx s LYS 104 Cb -0.19 0.03 -0.09 0.00 -0.52 0.00 0.00 37.83 37.06 3djx s LYS 104 CO -0.08 -0.20 1.14 -1.01 -0.92 0.00 0.00 175.35 174.28 3djx s HIS 105 N -3.88 3.34 0.01 3.18 3.76 -0.16 -0.71 115.29 120.82 3djx s HIS 105 Ca 0.23 1.62 -0.01 0.00 -0.15 0.00 0.00 55.06 56.74 3djx s HIS 105 Cb 0.07 -3.35 -0.04 0.00 1.11 0.00 0.00 32.58 30.37 3djx s HIS 105 CO 0.02 -0.94 0.15 0.96 -0.85 0.00 0.00 174.74 174.08 3djx s ILE 106 N -1.28 5.18 -0.16 0.60 -4.36 -1.26 -0.87 121.20 119.06 3djx s ILE 106 Ca 0.50 -0.30 0.01 0.00 -0.26 0.00 0.00 60.65 60.60 3djx s ILE 106 Cb -0.32 -3.43 0.01 0.00 1.25 0.00 0.00 42.46 39.97 3djx s ILE 106 CO 0.41 0.29 -0.17 -0.63 0.24 0.00 0.00 174.94 175.08 3djx s ILE 107 N -1.32 2.42 0.12 8.37 1.01 0.57 -0.99 121.20 131.38 3djx s ILE 107 Ca 0.27 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 60.16 3djx s ILE 107 Cb -0.12 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3djx s ILE 107 CO 0.19 0.52 -0.20 0.68 0.00 0.00 0.00 174.94 176.14 3djx s VAL 108 N 0.96 1.71 0.02 2.92 -7.23 -0.20 -0.69 120.40 117.90 3djx s VAL 108 Ca -0.03 -1.65 -0.19 0.00 -1.81 0.00 0.00 61.98 58.30 3djx s VAL 108 Cb -0.15 -1.62 -0.06 0.00 0.56 0.00 0.00 36.38 35.11 3djx s VAL 108 CO -0.03 -0.15 0.56 0.00 -0.31 0.00 0.00 175.10 175.16 3djx s ALA 109 N -1.45 3.55 0.05 1.32 0.00 -0.00 -0.74 121.76 124.49 3djx s ALA 109 Ca 0.09 -0.00 0.06 0.00 0.00 0.00 0.00 51.96 52.11 3djx s ALA 109 Cb -0.09 -2.66 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 3djx s ALA 109 CO 0.05 0.29 -0.14 0.00 0.00 0.00 0.00 175.76 175.95 3djx s GLY 111 N -1.62 -0.20 0.00 0.00 0.00 -0.47 -4.87 107.32 100.15 3djx s GLY 111 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.75 3djx s GLY 111 CO 0.08 -0.04 0.00 0.61 0.00 0.00 0.00 173.10 173.75 3djx n GLY 112 N -0.44 -0.16 2.63 0.20 0.00 -1.26 -1.67 105.19 104.48 3djx n GLY 112 Ca -0.07 -1.83 -0.28 0.00 0.00 0.00 0.00 46.02 43.84 3djx n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3djx s LYS 113 N -1.50 0.36 0.65 1.61 -0.14 -1.26 -2.67 119.74 116.79 3djx s LYS 113 Ca 0.00 -0.51 -0.16 0.00 -1.36 0.00 0.00 55.97 53.94 3djx s LYS 113 Cb 0.00 -1.66 -0.00 0.00 -1.68 0.00 0.00 37.83 34.48 3djx s LYS 113 CO 0.00 -0.86 1.14 -1.25 -0.76 0.00 0.00 175.35 173.62 3djx s PRO 114 N 1.97 2.77 -0.26 -1.68 0.04 -1.26 -5.09 135.00 131.49 3djx s PRO 114 Ca 0.06 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.34 3djx s PRO 114 Cb -0.16 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 3djx s PRO 114 CO -0.23 -1.30 1.41 0.45 0.04 0.00 0.00 177.00 177.38 3djx s SER 115 N -2.27 6.59 0.14 6.66 0.15 -1.09 -4.86 113.70 119.03 3djx s SER 115 Ca 0.70 1.40 0.04 0.00 0.70 0.00 0.00 55.95 58.79 3djx s SER 115 Cb -0.23 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.49 3djx s SER 115 CO 0.39 -1.11 -0.10 0.68 1.20 0.00 0.00 173.24 174.30 3djx s VAL 116 N 4.58 1.17 0.24 4.45 -7.23 -0.67 -4.83 120.40 118.10 3djx s VAL 116 Ca 0.61 -2.04 -0.31 0.00 -1.81 0.00 0.00 61.98 58.44 3djx s VAL 116 Cb -0.20 -1.82 -0.11 0.00 0.56 0.00 0.00 36.38 34.80 3djx s VAL 116 CO 0.25 -0.73 1.61 -2.84 -0.31 0.00 0.00 175.10 173.07 3djx s PRO 117 N -3.69 4.16 -0.00 4.82 0.02 -1.26 -1.37 135.00 137.68 3djx s PRO 117 Ca 0.16 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.69 3djx s PRO 117 Cb 0.02 -3.07 -0.00 0.00 0.02 0.00 0.00 34.50 31.46 3djx s PRO 117 CO 0.01 -0.63 0.01 1.33 -0.33 0.00 0.00 177.00 177.38 3djx n VAL 118 N 3.06 0.00 -3.67 3.83 0.24 0.16 -4.87 118.33 117.08 3djx n VAL 118 Ca 0.11 -0.36 -0.14 0.00 -2.04 0.00 0.00 64.34 61.91 3djx n VAL 118 Cb 0.37 0.86 -0.08 0.00 -1.47 0.00 0.00 33.84 33.52 3djx n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3djx s HIS 119 N -1.31 -0.57 -0.27 6.34 5.65 -1.13 -4.99 115.29 119.02 3djx s HIS 119 Ca 0.00 1.30 -0.13 0.00 0.25 0.00 0.00 55.06 56.48 3djx s HIS 119 Cb 0.00 0.22 -0.04 0.00 -1.18 0.00 0.00 32.58 31.59 3djx s HIS 119 CO 0.01 -0.35 0.30 0.12 -0.65 0.00 0.00 174.74 174.18 3djx s PHE 120 N -0.10 3.25 -0.22 3.88 2.19 -1.26 -0.82 117.98 124.90 3djx s PHE 120 Ca -0.03 0.33 -0.18 0.00 0.33 0.00 0.00 56.93 57.38 3djx s PHE 120 Cb -0.03 -2.49 -0.18 0.00 -1.31 0.00 0.00 43.02 39.01 3djx s PHE 120 CO 0.02 -0.17 0.08 -3.47 1.83 0.00 0.00 175.22 173.52 3djx n ASP 121 N 5.11 1.91 -3.55 6.13 2.03 0.14 -4.95 116.55 123.37 3djx n ASP 121 Ca -0.11 0.37 -0.07 0.00 0.52 0.00 0.00 54.79 55.50 3djx n ASP 121 Cb 0.51 -0.91 -0.02 0.00 -0.72 0.00 0.00 41.12 39.99 3djx n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3djx s ALA 122 N -2.42 -1.90 -0.06 -1.67 0.00 -1.09 -4.92 121.76 109.70 3djx s ALA 122 Ca -0.31 1.14 0.05 0.00 0.00 0.00 0.00 51.96 52.85 3djx s ALA 122 Cb 0.08 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 3djx s ALA 122 CO 0.59 -0.69 -0.22 -1.54 0.00 0.00 0.00 175.76 173.90 3djx s SER 123 N -2.42 3.35 0.00 0.00 1.04 -1.26 -0.31 113.70 114.09 3djx s SER 123 Ca 0.07 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.07 3djx s SER 123 Cb -0.01 -0.87 0.00 0.00 0.10 0.00 0.00 66.02 65.24 3djx s SER 123 CO -0.07 0.26 0.05 0.55 0.98 0.00 0.00 173.24 175.01