#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djq n GLU 2 N 0.00 2.00 -2.11 1.64 2.13 -1.26 -4.94 120.64 118.10 3djq n GLU 2 Ca 0.00 0.72 -0.34 0.00 0.66 0.00 0.00 57.16 58.20 3djq n GLU 2 Cb 0.00 -2.44 0.01 0.00 0.27 0.00 0.00 31.44 29.28 3djq n GLU 2 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3djq s SER 3 N 0.68 5.70 0.30 4.31 1.04 -1.26 -4.85 113.70 119.62 3djq s SER 3 Ca 0.76 1.97 0.01 0.00 0.48 0.00 0.00 55.95 59.17 3djq s SER 3 Cb -0.70 -2.55 0.55 0.00 0.10 0.00 0.00 66.02 63.41 3djq s SER 3 CO 0.42 -1.23 1.90 0.00 0.98 0.00 0.00 173.24 175.32 3djq h ALA 4 N 0.71 1.53 -0.23 5.32 0.00 -1.99 0.10 119.26 124.71 3djq h ALA 4 Ca -0.48 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3djq h ALA 4 Cb 1.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3djq h ALA 4 CO 0.57 0.31 0.10 0.00 0.00 0.00 0.00 179.25 180.23 3djq h ALA 5 N 1.52 0.30 -0.64 0.00 0.00 -1.99 -0.55 119.26 117.89 3djq h ALA 5 Ca 0.41 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3djq h ALA 5 Cb 0.26 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3djq h ALA 5 CO -0.16 -0.12 0.14 0.00 0.00 0.00 0.00 179.25 179.12 3djq h ALA 6 N 0.94 1.05 -0.68 0.00 0.00 -1.80 -1.50 119.26 117.28 3djq h ALA 6 Ca 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3djq h ALA 6 Cb 0.17 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3djq h ALA 6 CO -0.01 0.62 0.38 -0.22 0.00 0.00 0.00 179.25 180.03 3djq h LYS 7 N 0.96 0.93 -0.69 0.00 3.64 -0.63 -0.04 116.57 120.74 3djq h LYS 7 Ca 0.20 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3djq h LYS 7 Cb 0.35 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 3djq h LYS 7 CO 0.00 0.69 0.40 0.35 -2.27 0.00 0.00 179.45 178.62 3djq h PHE 8 N 0.92 0.94 -0.63 1.91 3.04 -0.70 0.63 116.94 123.05 3djq h PHE 8 Ca 0.24 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.14 3djq h PHE 8 Cb 0.01 -0.30 -0.03 0.00 2.56 0.00 0.00 35.95 38.19 3djq h PHE 8 CO -0.01 0.65 0.25 0.93 -2.02 0.00 0.00 178.31 178.11 3djq h GLU 9 N 0.95 0.95 -0.34 1.11 5.08 -0.79 0.11 114.58 121.65 3djq h GLU 9 Ca 0.25 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3djq h GLU 9 Cb 0.01 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3djq h GLU 9 CO -0.04 0.80 0.07 -0.09 -1.00 0.00 0.00 179.01 178.75 3djq h ARG 10 N 0.89 0.56 0.00 2.33 2.43 -0.79 -2.06 114.38 117.74 3djq h ARG 10 Ca 0.21 -0.14 -0.20 0.00 -0.81 0.00 0.00 59.98 59.03 3djq h ARG 10 Cb 0.21 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3djq h ARG 10 CO -0.02 0.62 -1.00 1.96 -1.51 0.00 0.00 179.97 180.03 3djq h GLN 11 N 0.40 0.00 0.00 0.20 4.20 -0.71 -3.41 115.11 115.80 3djq h GLN 11 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3djq h GLN 11 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3djq h GLN 11 CO 0.00 0.91 0.00 0.72 -0.67 0.00 0.00 178.83 179.80 3djq n HIS 12 N -3.31 0.00 -4.18 2.96 8.25 0.37 -5.05 115.22 114.25 3djq n HIS 12 Ca -0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.11 3djq n HIS 12 Cb 0.93 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.92 3djq n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3djq s MET 13 N -0.43 3.79 -0.39 -0.41 -1.94 -0.77 -5.00 119.30 114.14 3djq s MET 13 Ca 0.00 -0.45 0.08 0.00 -1.71 0.00 0.00 55.69 53.61 3djq s MET 13 Cb 0.00 -3.07 0.25 0.00 2.01 0.00 0.00 34.83 34.02 3djq s MET 13 CO 0.00 0.22 0.53 -3.47 -0.01 0.00 0.00 175.02 172.29 3djq n ASP 14 N 3.66 0.02 0.15 3.03 2.03 -1.26 -4.82 116.55 119.35 3djq n ASP 14 Ca -0.17 -2.71 -0.00 0.00 0.52 0.00 0.00 54.79 52.43 3djq n ASP 14 Cb 0.52 -0.53 0.24 0.00 -0.72 0.00 0.00 41.12 40.63 3djq n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3djq h SER 15 N 4.04 0.04 0.21 1.67 0.02 -1.97 -3.27 113.55 114.28 3djq h SER 15 Ca 0.07 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3djq h SER 15 Cb 0.89 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.42 3djq h SER 15 CO 0.45 0.55 -0.27 0.61 -1.14 0.00 0.00 176.83 177.03 3djq n GLY 16 N -0.03 -0.53 3.37 -3.77 0.00 -1.26 -4.97 105.19 98.00 3djq n GLY 16 Ca -0.02 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 3djq n GLY 16 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3djq s ASN 17 N -2.48 0.81 0.15 1.61 0.01 -1.23 -5.16 114.94 108.64 3djq s ASN 17 Ca 0.24 -1.47 -0.09 0.00 -0.71 0.00 0.00 52.86 50.84 3djq s ASN 17 Cb 0.19 0.55 -0.01 0.00 0.41 0.00 0.00 41.25 42.39 3djq s ASN 17 CO 0.52 -1.09 0.26 -0.94 -1.51 0.00 0.00 177.10 174.34 3djq s SER 18 N -3.23 0.06 0.57 -1.22 1.04 -1.26 -4.95 113.70 104.70 3djq s SER 18 Ca 0.35 -0.83 0.28 0.00 0.48 0.00 0.00 55.95 56.23 3djq s SER 18 Cb 0.02 0.42 1.50 0.00 0.10 0.00 0.00 66.02 68.06 3djq s SER 18 CO 0.19 -0.86 1.99 -0.65 0.98 0.00 0.00 173.24 174.88 3djq h PRO 19 N 2.58 0.00 -0.00 4.02 0.11 -2.03 0.92 132.00 137.61 3djq h PRO 19 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3djq h PRO 19 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3djq h PRO 19 CO 0.50 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.16 3djq n SER 20 N -3.96 0.01 -4.00 -2.05 3.41 -1.26 -4.53 113.62 101.24 3djq n SER 20 Ca 0.07 -1.05 -0.42 0.00 -0.26 0.00 0.00 58.87 57.20 3djq n SER 20 Cb 0.56 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3djq n SER 20 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3djq n SER 21 N -0.97 4.36 0.20 4.04 7.64 0.32 -4.78 113.62 124.42 3djq n SER 21 Ca 0.23 -2.90 0.13 0.00 1.01 0.00 0.00 58.87 57.34 3djq n SER 21 Cb 0.11 -1.66 0.70 0.00 -1.01 0.00 0.00 64.21 62.35 3djq n SER 21 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3djq h SER 22 N 6.43 0.00 0.20 6.43 0.02 -1.86 0.24 113.55 125.02 3djq h SER 22 Ca 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 3djq h SER 22 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 3djq h SER 22 CO 1.72 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 176.21 3djq n SER 23 N -4.34 0.25 -0.16 3.07 7.64 -1.26 -2.06 113.62 116.74 3djq n SER 23 Ca 0.01 0.60 0.14 0.00 1.01 0.00 0.00 58.87 60.62 3djq n SER 23 Cb 0.24 -0.64 0.54 0.00 -1.01 0.00 0.00 64.21 63.34 3djq n SER 23 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3djq n ASN 24 N -1.81 0.67 -0.10 6.43 5.15 0.84 -4.34 115.26 122.09 3djq n ASN 24 Ca 0.01 -0.70 -0.08 0.00 -0.60 0.00 0.00 54.58 53.21 3djq n ASN 24 Cb 0.08 -0.01 -0.01 0.00 -0.53 0.00 0.00 39.78 39.30 3djq n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3djq h TYR 25 N 0.81 -0.84 -0.63 1.20 3.20 -1.58 -2.13 116.97 117.00 3djq h TYR 25 Ca 0.00 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 3djq h TYR 25 Cb 0.40 0.43 -0.03 0.00 1.54 0.00 0.00 36.73 39.07 3djq h TYR 25 CO 0.00 -0.37 0.12 0.00 -1.64 0.00 0.00 178.16 176.27 3djq h ASN 27 N 0.96 0.16 0.10 0.00 2.35 -1.67 0.44 115.58 117.92 3djq h ASN 27 Ca 0.20 0.08 -0.30 0.00 -0.55 0.00 0.00 56.30 55.73 3djq h ASN 27 Cb 0.38 0.07 0.03 0.00 0.05 0.00 0.00 38.32 38.86 3djq h ASN 27 CO 0.01 0.10 -1.21 -0.07 -1.65 0.00 0.00 177.43 174.61 3djq h LEU 28 N 0.35 0.90 -0.27 1.61 3.38 -1.11 -2.99 115.31 117.18 3djq h LEU 28 Ca 0.28 -0.80 -0.20 0.00 0.09 0.00 0.00 57.88 57.25 3djq h LEU 28 Cb 0.35 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3djq h LEU 28 CO -0.30 1.61 -0.68 -0.03 0.09 0.00 0.00 178.44 179.12 3djq h MET 29 N 0.31 0.75 -0.61 1.13 4.05 -0.78 0.25 114.93 120.02 3djq h MET 29 Ca -0.18 -0.56 -0.03 0.00 -0.28 0.00 0.00 59.70 58.66 3djq h MET 29 Cb 1.88 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 32.75 3djq h MET 29 CO 0.23 1.17 0.27 0.52 0.23 0.00 0.00 176.91 179.34 3djq h MET 30 N 0.54 0.88 0.09 0.39 2.86 -1.02 0.36 114.93 119.03 3djq h MET 30 Ca -0.02 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3djq h MET 30 Cb 1.29 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.79 3djq h MET 30 CO 0.14 0.70 -0.04 0.00 1.06 0.00 0.00 176.91 178.76 3djq n ARG 33 N -4.79 2.95 -3.27 0.00 5.12 0.09 -4.92 116.66 111.86 3djq n ARG 33 Ca 0.12 -1.86 -0.19 0.00 -1.93 0.00 0.00 57.85 53.99 3djq n ARG 33 Cb 0.25 -1.76 0.06 0.00 -1.16 0.00 0.00 32.46 29.84 3djq n ARG 33 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3djq n LYS 34 N 0.55 -5.90 -0.44 5.56 5.02 -0.85 -4.91 118.16 117.19 3djq n LYS 34 Ca 0.17 0.70 0.08 0.00 -2.02 0.00 0.00 58.31 57.23 3djq n LYS 34 Cb 0.68 -5.27 0.26 0.00 -0.02 0.00 0.00 35.03 30.68 3djq n LYS 34 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3djq n MET 35 N -4.00 3.13 -0.37 1.97 2.81 -0.31 -4.43 117.12 115.93 3djq n MET 35 Ca -0.02 -2.72 0.07 0.00 -1.81 0.00 0.00 57.70 53.22 3djq n MET 35 Cb 0.56 -1.77 0.13 0.00 -0.71 0.00 0.00 33.22 31.43 3djq n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3djq n THR 36 N -0.13 1.63 -3.92 2.03 -2.24 -1.23 -2.28 114.28 108.14 3djq n THR 36 Ca 0.20 -2.19 -0.35 0.00 -2.27 0.00 0.00 64.05 59.45 3djq n THR 36 Cb 0.83 -0.07 -0.09 0.00 -2.10 0.00 0.00 70.33 68.90 3djq n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3djq s GLN 37 N -2.44 3.98 0.00 -0.78 -0.21 -1.26 -4.42 119.66 114.53 3djq s GLN 37 Ca 0.30 -0.29 0.00 0.00 0.02 0.00 0.00 55.36 55.39 3djq s GLN 37 Cb 0.28 -3.27 0.00 0.00 1.00 0.00 0.00 33.01 31.02 3djq s GLN 37 CO -0.01 0.34 0.00 0.41 -2.12 0.00 0.00 175.29 173.90 3djq n GLY 38 N 3.36 1.18 3.48 3.09 0.00 -1.26 -4.81 105.19 110.23 3djq n GLY 38 Ca -0.17 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 3djq n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3djq s LYS 39 N 0.00 1.25 -0.31 1.61 0.00 -1.26 -5.08 119.74 115.95 3djq s LYS 39 Ca 0.00 -0.50 -0.27 0.00 0.00 0.00 0.00 55.97 55.20 3djq s LYS 39 Cb 0.00 0.55 0.01 0.00 0.00 0.00 0.00 37.83 38.40 3djq s LYS 39 CO 0.00 -0.55 0.97 0.00 0.00 0.00 0.00 175.35 175.77 3djq s LYS 41 N 3.39 4.14 0.26 0.00 2.20 -0.97 -4.89 119.74 123.87 3djq s LYS 41 Ca 0.41 2.57 0.04 0.00 -0.36 0.00 0.00 55.97 58.63 3djq s LYS 41 Cb -0.13 -4.00 0.33 0.00 -1.51 0.00 0.00 37.83 32.51 3djq s LYS 41 CO 0.14 -0.92 1.62 -1.00 -0.36 0.00 0.00 175.35 174.84 3djq h PRO 42 N 9.99 0.31 -3.48 4.03 0.13 -1.93 -3.43 132.00 137.63 3djq h PRO 42 Ca -0.48 -0.17 -0.27 0.00 -0.87 0.00 0.00 66.00 64.21 3djq h PRO 42 Cb 1.23 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 32.04 3djq h PRO 42 CO 0.94 0.73 -0.69 0.08 -0.23 0.00 0.00 178.00 178.83 3djq s VAL 43 N -4.02 -0.05 -0.20 1.56 1.01 -1.26 -0.77 120.40 116.67 3djq s VAL 43 Ca -0.05 0.17 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 3djq s VAL 43 Cb 0.13 -0.11 0.06 0.00 0.00 0.00 0.00 36.38 36.45 3djq s VAL 43 CO 0.79 0.07 0.52 0.21 0.00 0.00 0.00 175.10 176.70 3djq s ASN 44 N 0.92 -0.58 -0.13 3.32 2.47 -0.13 -5.01 114.94 115.81 3djq s ASN 44 Ca -0.08 1.08 -0.02 0.00 0.42 0.00 0.00 52.86 54.26 3djq s ASN 44 Cb -0.11 1.05 -0.03 0.00 -1.45 0.00 0.00 41.25 40.72 3djq s ASN 44 CO -0.03 -0.19 -0.06 -0.89 -3.72 0.00 0.00 177.10 172.21 3djq s THR 45 N 0.60 3.74 -0.09 -5.21 2.01 -1.26 -0.36 115.64 115.07 3djq s THR 45 Ca -0.03 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 61.54 3djq s THR 45 Cb -0.05 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 3djq s THR 45 CO -0.04 0.53 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.03 3djq s PHE 46 N 0.04 3.05 -0.13 4.92 0.08 -0.22 -4.97 117.98 120.74 3djq s PHE 46 Ca -0.01 0.06 -0.04 0.00 0.12 0.00 0.00 56.93 57.06 3djq s PHE 46 Cb -0.14 -1.77 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 3djq s PHE 46 CO 0.03 0.35 0.01 0.08 -0.10 0.00 0.00 175.22 175.59 3djq s VAL 47 N -0.70 4.35 -1.71 -0.44 1.01 -1.26 -0.26 120.40 121.38 3djq s VAL 47 Ca 0.11 -0.21 0.16 0.00 0.00 0.00 0.00 61.98 62.04 3djq s VAL 47 Cb -0.11 -2.89 0.05 0.00 0.00 0.00 0.00 36.38 33.43 3djq s VAL 47 CO 0.02 0.53 0.92 1.41 0.00 0.00 0.00 175.10 177.98 3djq n HIS 48 N 2.95 0.00 -1.14 5.22 -0.00 0.10 -4.95 115.22 117.40 3djq n HIS 48 Ca -0.18 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.25 3djq n HIS 48 Cb 0.53 0.00 0.16 0.00 -0.00 0.00 0.00 29.99 30.68 3djq n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3djq s GLU 49 N -1.65 0.77 0.70 -0.41 0.41 -1.25 -4.99 118.70 112.27 3djq s GLU 49 Ca 0.16 0.71 -0.16 0.00 -0.41 0.00 0.00 54.97 55.27 3djq s GLU 49 Cb 0.13 -1.76 0.02 0.00 -1.78 0.00 0.00 34.13 30.74 3djq s GLU 49 CO 0.31 -2.55 1.24 -1.54 -0.49 0.00 0.00 175.26 172.24 3djq s SER 50 N -3.36 4.33 0.28 -0.19 1.04 -1.26 -4.87 113.70 109.66 3djq s SER 50 Ca 0.65 2.47 0.01 0.00 0.48 0.00 0.00 55.95 59.56 3djq s SER 50 Cb -0.19 -2.60 0.53 0.00 0.10 0.00 0.00 66.02 63.86 3djq s SER 50 CO 0.58 -2.18 1.84 0.25 0.98 0.00 0.00 173.24 174.71 3djq h LEU 51 N 0.04 0.95 -0.55 2.42 5.85 -1.96 -2.06 115.31 119.99 3djq h LEU 51 Ca -0.49 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.28 3djq h LEU 51 Cb 1.31 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 3djq h LEU 51 CO 0.51 0.52 0.36 0.00 -0.34 0.00 0.00 178.44 179.48 3djq h ALA 52 N 1.53 0.70 -0.79 1.25 0.00 -1.99 0.54 119.26 120.50 3djq h ALA 52 Ca 0.49 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.34 3djq h ALA 52 Cb 0.44 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3djq h ALA 52 CO -0.25 0.11 0.36 -0.44 0.00 0.00 0.00 179.25 179.03 3djq h ASP 53 N 0.72 1.05 -0.19 0.00 5.19 -1.79 -0.60 116.42 120.80 3djq h ASP 53 Ca 0.21 -0.13 -0.14 0.00 -0.62 0.00 0.00 57.03 56.35 3djq h ASP 53 Cb -0.05 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.19 3djq h ASP 53 CO -0.06 0.89 -0.42 0.58 -3.12 0.00 0.00 179.24 177.12 3djq h VAL 54 N 1.13 1.33 -0.94 -1.35 2.07 -1.03 -2.99 116.25 114.47 3djq h VAL 54 Ca 0.27 -1.65 0.13 0.00 0.82 0.00 0.00 66.70 66.26 3djq h VAL 54 Cb 0.14 1.89 -0.08 0.00 -1.52 0.00 0.00 31.29 31.72 3djq h VAL 54 CO -0.03 0.51 0.60 0.11 0.02 0.00 0.00 177.57 178.78 3djq h LYS 55 N 0.30 0.83 0.00 1.57 1.57 -0.70 -2.00 116.57 118.15 3djq h LYS 55 Ca 0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3djq h LYS 55 Cb 1.02 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 3djq h LYS 55 CO 0.09 0.55 -0.02 0.00 -0.57 0.00 0.00 179.45 179.50 3djq h ALA 56 N 1.57 1.05 0.00 3.86 0.00 -0.95 -2.41 119.26 122.38 3djq h ALA 56 Ca 0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 3djq h ALA 56 Cb 0.57 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3djq h ALA 56 CO -0.23 0.03 -0.03 0.28 0.00 0.00 0.00 179.25 179.29 3djq h VAL 57 N 0.00 0.84 0.00 0.00 2.07 -1.35 -1.51 116.25 116.31 3djq h VAL 57 Ca -0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3djq h VAL 57 Cb 0.26 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3djq h VAL 57 CO 0.00 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.62 3djq n SER 59 N -2.17 3.22 0.00 0.00 3.41 -0.57 -4.99 113.62 112.51 3djq n SER 59 Ca 0.01 -2.25 0.00 0.00 -0.26 0.00 0.00 58.87 56.37 3djq n SER 59 Cb 0.14 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 3djq n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3djq n GLN 60 N 0.31 3.21 -2.40 4.33 6.02 -0.33 -5.03 117.38 123.49 3djq n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.71 3djq n GLN 60 Cb 0.55 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.79 3djq n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3djq s LYS 61 N 4.70 4.21 0.02 -1.09 2.20 -1.06 -4.84 119.74 123.88 3djq s LYS 61 Ca 0.00 1.67 -0.30 0.00 -0.36 0.00 0.00 55.97 56.97 3djq s LYS 61 Cb 0.00 -3.78 -0.06 0.00 -1.51 0.00 0.00 37.83 32.48 3djq s LYS 61 CO 0.00 -0.74 1.38 0.21 -0.36 0.00 0.00 175.35 175.84 3djq s LYS 62 N 3.57 4.30 0.14 4.03 2.36 -1.26 0.45 119.74 133.32 3djq s LYS 62 Ca 0.56 1.96 0.00 0.00 -2.55 0.00 0.00 55.97 55.94 3djq s LYS 62 Cb -0.22 -3.51 -0.04 0.00 -1.05 0.00 0.00 37.83 33.01 3djq s LYS 62 CO 0.16 -0.53 0.02 0.14 1.55 0.00 0.00 175.35 176.69 3djq s VAL 63 N 2.10 0.34 0.17 4.02 -7.23 -0.72 -4.89 120.40 114.18 3djq s VAL 63 Ca 0.63 -1.93 -0.31 0.00 -1.81 0.00 0.00 61.98 58.57 3djq s VAL 63 Cb -0.32 -2.01 -0.09 0.00 0.56 0.00 0.00 36.38 34.53 3djq s VAL 63 CO 0.27 -0.54 1.40 0.42 -0.31 0.00 0.00 175.10 176.35 3djq s THR 64 N -3.88 3.07 0.42 5.32 -4.23 -1.26 -3.96 115.64 111.11 3djq s THR 64 Ca 0.22 0.81 -0.23 0.00 -1.18 0.00 0.00 61.69 61.31 3djq s THR 64 Cb 0.07 -3.52 -0.09 0.00 1.34 0.00 0.00 72.50 70.30 3djq s THR 64 CO 0.01 0.09 1.07 0.00 -0.54 0.00 0.00 174.62 175.25 3djq h LYS 66 N 2.33 0.16 -0.35 0.00 1.57 -1.90 -0.96 116.57 117.42 3djq h LYS 66 Ca -0.49 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3djq h LYS 66 Cb 1.22 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3djq h LYS 66 CO 0.62 0.10 0.00 0.27 -0.57 0.00 0.00 179.45 179.87 3djq n ASN 67 N -4.46 2.04 0.00 0.86 6.94 -1.26 -4.92 115.26 114.46 3djq n ASN 67 Ca 0.06 -1.94 0.00 0.00 -0.02 0.00 0.00 54.58 52.68 3djq n ASN 67 Cb 0.37 -0.23 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 3djq n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3djq n GLY 68 N 1.13 1.52 3.74 4.83 0.00 -0.36 -5.03 105.19 111.02 3djq n GLY 68 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3djq n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3djq s GLN 69 N -0.19 1.84 -0.30 1.61 -0.21 -1.26 -4.83 119.66 116.33 3djq s GLN 69 Ca 0.00 1.08 0.08 0.00 0.02 0.00 0.00 55.36 56.54 3djq s GLN 69 Cb 0.00 -1.86 0.47 0.00 1.00 0.00 0.00 33.01 32.62 3djq s GLN 69 CO 0.00 -1.91 1.37 0.25 -2.12 0.00 0.00 175.29 172.89 3djq n THR 70 N -3.69 2.54 -1.80 -0.19 -2.24 -1.26 -2.77 114.28 104.86 3djq n THR 70 Ca 0.09 -3.26 0.03 0.00 -2.27 0.00 0.00 64.05 58.64 3djq n THR 70 Cb 0.54 -0.55 0.16 0.00 -2.10 0.00 0.00 70.33 68.37 3djq n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3djq n ASN 71 N -1.01 1.85 -4.90 3.42 6.94 -1.26 -5.02 115.26 115.27 3djq n ASN 71 Ca 0.34 -3.56 -0.31 0.00 -0.02 0.00 0.00 54.58 51.04 3djq n ASN 71 Cb 0.91 -0.48 -0.04 0.00 -2.36 0.00 0.00 39.78 37.81 3djq n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3djq s TYR 73 N -1.49 -0.12 -0.13 0.00 1.51 -0.10 -1.76 117.35 115.26 3djq s TYR 73 Ca 0.34 0.31 -0.06 0.00 -1.01 0.00 0.00 57.07 56.65 3djq s TYR 73 Cb -0.13 0.02 -0.04 0.00 -0.11 0.00 0.00 41.96 41.70 3djq s TYR 73 CO 0.27 -0.07 0.08 -1.14 -1.11 0.00 0.00 175.55 173.58 3djq s GLN 74 N 0.19 3.45 0.45 -0.62 0.74 0.17 -1.24 119.66 122.80 3djq s GLN 74 Ca -0.01 -0.26 -0.25 0.00 0.05 0.00 0.00 55.36 54.88 3djq s GLN 74 Cb -0.02 -3.09 -0.08 0.00 1.10 0.00 0.00 33.01 30.92 3djq s GLN 74 CO -0.01 0.62 1.37 -1.54 -0.55 0.00 0.00 175.29 175.18 3djq s SER 75 N -0.61 5.96 0.45 6.67 1.04 0.17 -2.56 113.70 124.82 3djq s SER 75 Ca 0.12 2.78 0.24 0.00 0.48 0.00 0.00 55.95 59.57 3djq s SER 75 Cb -0.12 -2.64 1.02 0.00 0.10 0.00 0.00 66.02 64.38 3djq s SER 75 CO 0.02 -1.11 1.87 0.07 0.98 0.00 0.00 173.24 175.08 3djq h LYS 76 N 2.32 0.00 -4.90 4.02 2.10 -1.94 -3.44 116.57 114.73 3djq h LYS 76 Ca -0.50 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 57.82 3djq h LYS 76 Cb 1.26 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.45 3djq h LYS 76 CO 0.61 0.21 -0.65 -1.12 -2.00 0.00 0.00 179.45 176.50 3djq s SER 77 N -6.20 1.39 0.73 7.07 0.01 -1.26 -5.12 113.70 110.32 3djq s SER 77 Ca -0.00 -1.22 -0.14 0.00 1.31 0.00 0.00 55.95 55.89 3djq s SER 77 Cb 0.11 0.09 0.04 0.00 0.21 0.00 0.00 66.02 66.48 3djq s SER 77 CO 0.63 -0.58 1.18 0.42 0.41 0.00 0.00 173.24 175.30 3djq s THR 78 N -3.61 2.46 0.07 1.44 -4.23 -1.26 -4.45 115.64 106.05 3djq s THR 78 Ca 0.28 0.22 0.05 0.00 -1.18 0.00 0.00 61.69 61.05 3djq s THR 78 Cb 0.06 -2.73 -0.03 0.00 1.34 0.00 0.00 72.50 71.14 3djq s THR 78 CO 0.07 -0.13 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.84 3djq s MET 79 N -4.02 0.82 -0.28 3.99 -1.94 0.36 -4.87 119.30 113.36 3djq s MET 79 Ca 0.72 -0.92 -0.29 0.00 -1.71 0.00 0.00 55.69 53.49 3djq s MET 79 Cb -0.27 -0.82 0.00 0.00 2.01 0.00 0.00 34.83 35.76 3djq s MET 79 CO 0.46 0.18 1.25 1.03 -0.01 0.00 0.00 175.02 177.93 3djq s ARG 80 N -1.65 4.00 0.17 2.03 0.52 -1.26 -2.31 118.95 120.45 3djq s ARG 80 Ca -0.02 1.29 0.01 0.00 -0.52 0.00 0.00 55.73 56.49 3djq s ARG 80 Cb -0.10 -3.83 -0.04 0.00 0.52 0.00 0.00 34.95 31.49 3djq s ARG 80 CO 0.02 -1.01 0.03 0.96 0.02 0.00 0.00 175.30 175.32 3djq s ILE 81 N 4.09 0.49 -0.09 1.52 -4.36 -0.48 -0.72 121.20 121.65 3djq s ILE 81 Ca 0.54 -1.97 0.01 0.00 -0.26 0.00 0.00 60.65 58.98 3djq s ILE 81 Cb -0.17 -2.19 0.02 0.00 1.25 0.00 0.00 42.46 41.37 3djq s ILE 81 CO 0.20 -0.39 -0.12 -0.89 0.24 0.00 0.00 174.94 173.98 3djq s THR 82 N -3.79 1.24 -0.11 8.37 2.01 0.64 -1.37 115.64 122.63 3djq s THR 82 Ca 0.26 -0.49 -0.17 0.00 0.31 0.00 0.00 61.69 61.61 3djq s THR 82 Cb 0.07 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 3djq s THR 82 CO 0.05 0.39 0.43 -1.81 -0.69 0.00 0.00 174.62 172.99 3djq s ASP 83 N 1.05 6.65 -0.25 3.53 1.01 -0.19 -1.06 116.67 127.41 3djq s ASP 83 Ca -0.07 0.77 -0.03 0.00 0.71 0.00 0.00 52.55 53.93 3djq s ASP 83 Cb -0.15 -2.26 0.02 0.00 1.01 0.00 0.00 42.92 41.54 3djq s ASP 83 CO -0.01 0.06 -0.02 0.00 0.21 0.00 0.00 175.17 175.40 3djq s ARG 85 N 1.40 2.07 0.24 0.00 0.52 -0.84 -0.95 118.95 121.38 3djq s ARG 85 Ca 0.02 -0.52 -0.31 0.00 -0.52 0.00 0.00 55.73 54.40 3djq s ARG 85 Cb -0.16 -1.75 -0.12 0.00 0.52 0.00 0.00 34.95 33.44 3djq s ARG 85 CO -0.03 -0.03 1.68 -1.91 0.02 0.00 0.00 175.30 175.03 3djq n GLU 86 N 4.09 2.75 -1.74 3.54 2.13 0.05 -0.34 120.64 131.13 3djq n GLU 86 Ca -0.20 0.99 -0.30 0.00 0.66 0.00 0.00 57.16 58.31 3djq n GLU 86 Cb 0.51 -2.81 0.05 0.00 0.27 0.00 0.00 31.44 29.46 3djq n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3djq s THR 87 N 0.73 3.68 0.41 6.31 -4.23 -0.69 -4.84 115.64 117.02 3djq s THR 87 Ca 0.71 0.55 0.18 0.00 -1.18 0.00 0.00 61.69 61.95 3djq s THR 87 Cb -0.50 -3.43 0.20 0.00 1.34 0.00 0.00 72.50 70.10 3djq s THR 87 CO 0.38 -0.71 1.97 1.23 -0.54 0.00 0.00 174.62 176.95 3djq h GLY 88 N -0.72 0.00 1.59 3.99 0.00 -1.93 -2.52 103.07 103.47 3djq h GLY 88 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3djq h GLY 88 CO 0.61 0.00 -0.29 1.44 0.00 0.00 0.00 176.54 178.30 3djq n SER 89 N -4.03 0.65 -4.75 0.19 7.64 -1.26 -4.90 113.62 107.15 3djq n SER 89 Ca -0.02 0.32 -0.41 0.00 1.01 0.00 0.00 58.87 59.77 3djq n SER 89 Cb 0.28 -0.30 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 3djq n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3djq s SER 90 N -4.10 6.69 -0.17 6.43 0.15 -0.95 -4.98 113.70 116.77 3djq s SER 90 Ca 0.09 2.67 -0.07 0.00 0.70 0.00 0.00 55.95 59.35 3djq s SER 90 Cb 0.14 -2.63 0.07 0.00 -1.71 0.00 0.00 66.02 61.89 3djq s SER 90 CO 0.65 -0.65 0.36 -0.75 1.20 0.00 0.00 173.24 174.05 3djq s LYS 91 N -0.85 0.28 0.34 5.44 2.36 -1.19 -4.92 119.74 121.19 3djq s LYS 91 Ca 0.56 0.88 -0.28 0.00 -2.55 0.00 0.00 55.97 54.57 3djq s LYS 91 Cb -0.41 0.14 -0.12 0.00 -1.05 0.00 0.00 37.83 36.39 3djq s LYS 91 CO 0.47 -0.24 1.32 0.98 1.55 0.00 0.00 175.35 179.42 3djq n TYR 92 N 5.11 2.34 1.33 4.03 9.36 -1.26 -0.92 117.16 137.16 3djq n TYR 92 Ca -0.12 0.53 0.09 0.00 3.32 0.00 0.00 57.90 61.73 3djq n TYR 92 Cb 0.51 -2.43 0.34 0.00 -0.63 0.00 0.00 39.34 37.13 3djq n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3djq n PRO 93 N 0.64 1.58 -3.02 2.98 -0.04 -1.26 -4.99 135.00 130.90 3djq n PRO 93 Ca 0.05 -0.88 -0.44 0.00 -0.04 0.00 0.00 63.50 62.19 3djq n PRO 93 Cb 0.36 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 3djq n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3djq n ASN 94 N 0.13 5.41 -4.62 3.54 4.13 -0.09 -5.00 115.26 118.75 3djq n ASN 94 Ca 0.14 -3.05 -0.43 0.00 1.68 0.00 0.00 54.58 52.92 3djq n ASN 94 Cb 0.26 -1.47 -0.02 0.00 -1.54 0.00 0.00 39.78 37.00 3djq n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3djq s ALA 96 N 4.95 3.07 0.05 0.00 0.00 -1.26 -4.86 121.76 123.71 3djq s ALA 96 Ca 0.61 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.77 3djq s ALA 96 Cb -0.17 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 3djq s ALA 96 CO 0.28 0.52 -0.14 0.71 0.00 0.00 0.00 175.76 177.12 3djq s TYR 97 N -0.63 1.19 0.01 0.00 2.02 -1.26 -1.70 117.35 116.98 3djq s TYR 97 Ca 0.10 -0.38 -0.21 0.00 -0.37 0.00 0.00 57.07 56.21 3djq s TYR 97 Cb -0.12 -0.70 -0.06 0.00 -0.40 0.00 0.00 41.96 40.69 3djq s TYR 97 CO 0.02 0.04 0.61 0.21 -1.57 0.00 0.00 175.55 174.86 3djq s LYS 98 N -1.26 4.33 -0.28 -0.62 2.20 0.54 -4.66 119.74 119.99 3djq s LYS 98 Ca 0.00 0.78 -0.10 0.00 -0.36 0.00 0.00 55.97 56.29 3djq s LYS 98 Cb -0.08 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.86 3djq s LYS 98 CO 0.01 0.39 0.17 0.99 -0.36 0.00 0.00 175.35 176.56 3djq s THR 99 N -0.30 5.14 -0.19 3.43 2.01 -1.26 -1.99 115.64 122.48 3djq s THR 99 Ca 0.32 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.44 3djq s THR 99 Cb -0.19 -3.44 0.03 0.00 0.01 0.00 0.00 72.50 68.91 3djq s THR 99 CO 0.18 0.26 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.31 3djq s THR 100 N 1.74 2.03 -0.12 -0.82 2.01 -0.40 -4.99 115.64 115.08 3djq s THR 100 Ca 0.07 -1.05 -0.29 0.00 0.31 0.00 0.00 61.69 60.73 3djq s THR 100 Cb -0.16 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 3djq s THR 100 CO 0.10 0.42 1.02 -1.10 -0.69 0.00 0.00 174.62 174.37 3djq s GLN 101 N 1.27 4.40 0.07 4.92 -0.21 -1.26 -1.02 119.66 127.83 3djq s GLN 101 Ca 0.02 1.40 0.02 0.00 0.02 0.00 0.00 55.36 56.83 3djq s GLN 101 Cb -0.14 -3.56 -0.03 0.00 1.00 0.00 0.00 33.01 30.28 3djq s GLN 101 CO -0.11 -0.37 -0.08 0.14 -2.12 0.00 0.00 175.29 172.75 3djq s VAL 102 N 2.19 0.65 -0.34 1.09 -7.23 -0.47 -4.99 120.40 111.30 3djq s VAL 102 Ca 0.48 -1.47 0.01 0.00 -1.81 0.00 0.00 61.98 59.19 3djq s VAL 102 Cb -0.18 -1.11 0.10 0.00 0.56 0.00 0.00 36.38 35.76 3djq s VAL 102 CO 0.17 -0.58 0.10 -1.61 -0.31 0.00 0.00 175.10 172.86 3djq s GLU 103 N -2.57 1.01 0.08 4.82 2.02 -1.26 -1.38 118.70 121.42 3djq s GLU 103 Ca 0.00 -1.43 -0.01 0.00 0.02 0.00 0.00 54.97 53.56 3djq s GLU 103 Cb -0.03 -2.39 -0.04 0.00 0.10 0.00 0.00 34.13 31.76 3djq s GLU 103 CO -0.02 -0.99 -0.02 0.15 0.02 0.00 0.00 175.26 174.40 3djq s LYS 104 N 1.24 0.72 0.36 1.61 1.02 -0.98 -4.78 119.74 118.93 3djq s LYS 104 Ca 0.11 -1.29 -0.28 0.00 0.02 0.00 0.00 55.97 54.53 3djq s LYS 104 Cb -0.19 0.14 -0.10 0.00 -0.52 0.00 0.00 37.83 37.16 3djq s LYS 104 CO -0.17 -0.12 1.34 -1.01 -0.92 0.00 0.00 175.35 174.47 3djq s HIS 105 N -3.89 2.90 0.17 3.18 3.76 -1.01 -0.49 115.29 119.90 3djq s HIS 105 Ca 0.11 1.36 0.06 0.00 -0.15 0.00 0.00 55.06 56.44 3djq s HIS 105 Cb 0.07 -3.75 -0.04 0.00 1.11 0.00 0.00 32.58 29.98 3djq s HIS 105 CO -0.07 -2.15 0.10 0.96 -0.85 0.00 0.00 174.74 172.74 3djq s ILE 106 N -1.16 4.30 -0.15 0.60 -4.36 -1.26 -1.00 121.20 118.17 3djq s ILE 106 Ca 0.51 -1.17 0.02 0.00 -0.26 0.00 0.00 60.65 59.75 3djq s ILE 106 Cb -0.41 -3.19 0.01 0.00 1.25 0.00 0.00 42.46 40.13 3djq s ILE 106 CO 0.54 -0.11 -0.19 -0.63 0.24 0.00 0.00 174.94 174.79 3djq s ILE 107 N -1.75 1.89 0.13 8.37 1.01 0.63 -0.65 121.20 130.83 3djq s ILE 107 Ca 0.30 -0.86 0.10 0.00 0.00 0.00 0.00 60.65 60.19 3djq s ILE 107 Cb -0.10 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 3djq s ILE 107 CO 0.22 0.52 -0.24 0.68 0.00 0.00 0.00 174.94 176.12 3djq s VAL 108 N 1.05 2.02 0.03 2.92 -7.23 -0.38 -0.54 120.40 118.28 3djq s VAL 108 Ca -0.02 -1.72 -0.20 0.00 -1.81 0.00 0.00 61.98 58.23 3djq s VAL 108 Cb -0.14 -1.83 -0.06 0.00 0.56 0.00 0.00 36.38 34.91 3djq s VAL 108 CO -0.06 -0.02 0.58 0.00 -0.31 0.00 0.00 175.10 175.29 3djq s ALA 109 N -1.24 3.54 0.06 1.32 0.00 -0.15 -0.93 121.76 124.37 3djq s ALA 109 Ca 0.12 0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.18 3djq s ALA 109 Cb -0.09 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 3djq s ALA 109 CO 0.06 0.29 -0.18 0.00 0.00 0.00 0.00 175.76 175.93 3djq s GLY 111 N -1.65 0.15 0.00 0.00 0.00 -0.27 -4.87 107.32 100.67 3djq s GLY 111 Ca 0.16 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.36 3djq s GLY 111 CO 0.07 -0.25 0.00 0.61 0.00 0.00 0.00 173.10 173.53 3djq n GLY 112 N -0.46 -1.33 2.73 0.20 0.00 -1.26 -1.41 105.19 103.65 3djq n GLY 112 Ca -0.04 -1.59 -0.28 0.00 0.00 0.00 0.00 46.02 44.11 3djq n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3djq s LYS 113 N -1.59 0.66 0.70 1.61 -0.14 -1.26 -2.47 119.74 117.25 3djq s LYS 113 Ca 0.00 -0.60 -0.14 0.00 -1.36 0.00 0.00 55.97 53.87 3djq s LYS 113 Cb 0.00 -2.03 0.02 0.00 -1.68 0.00 0.00 37.83 34.14 3djq s LYS 113 CO 0.00 -0.75 1.12 -1.25 -0.76 0.00 0.00 175.35 173.71 3djq s PRO 114 N 1.81 2.56 -0.20 -1.68 0.04 -1.26 -5.10 135.00 131.18 3djq s PRO 114 Ca 0.02 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.18 3djq s PRO 114 Cb -0.17 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 3djq s PRO 114 CO -0.14 -1.44 1.42 0.45 0.04 0.00 0.00 177.00 177.33 3djq s SER 115 N -2.65 6.69 0.17 6.66 0.15 -1.03 -4.88 113.70 118.82 3djq s SER 115 Ca 0.67 1.62 0.05 0.00 0.70 0.00 0.00 55.95 58.99 3djq s SER 115 Cb -0.21 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.52 3djq s SER 115 CO 0.45 -0.99 -0.09 0.68 1.20 0.00 0.00 173.24 174.48 3djq s VAL 116 N 4.23 1.26 0.22 4.45 -7.23 -0.50 -4.83 120.40 118.01 3djq s VAL 116 Ca 0.62 -2.09 -0.31 0.00 -1.81 0.00 0.00 61.98 58.39 3djq s VAL 116 Cb -0.23 -1.97 -0.11 0.00 0.56 0.00 0.00 36.38 34.64 3djq s VAL 116 CO 0.23 -0.65 1.56 -2.84 -0.31 0.00 0.00 175.10 173.09 3djq s PRO 117 N -3.75 4.20 0.00 4.82 0.02 -1.26 -1.11 135.00 137.92 3djq s PRO 117 Ca 0.20 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.64 3djq s PRO 117 Cb 0.02 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.44 3djq s PRO 117 CO 0.03 -0.58 0.00 1.33 -0.33 0.00 0.00 177.00 177.45 3djq n VAL 118 N 3.12 0.00 -3.83 3.83 0.24 0.54 -4.86 118.33 117.36 3djq n VAL 118 Ca 0.11 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.29 3djq n VAL 118 Cb 0.38 0.46 -0.11 0.00 -1.47 0.00 0.00 33.84 33.10 3djq n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3djq s HIS 119 N -1.86 -0.10 -0.29 6.34 5.65 -1.12 -4.98 115.29 118.92 3djq s HIS 119 Ca 0.00 0.21 -0.14 0.00 0.25 0.00 0.00 55.06 55.38 3djq s HIS 119 Cb 0.00 0.02 -0.03 0.00 -1.18 0.00 0.00 32.58 31.39 3djq s HIS 119 CO 0.00 -0.19 0.32 0.12 -0.65 0.00 0.00 174.74 174.34 3djq s PHE 120 N -0.59 3.23 -0.20 3.88 2.19 -1.26 -0.98 117.98 124.25 3djq s PHE 120 Ca -0.07 0.21 -0.17 0.00 0.33 0.00 0.00 56.93 57.23 3djq s PHE 120 Cb -0.04 -2.54 -0.20 0.00 -1.31 0.00 0.00 43.02 38.92 3djq s PHE 120 CO 0.01 -0.26 0.19 -3.47 1.83 0.00 0.00 175.22 173.51 3djq n ASP 121 N 5.27 1.93 -3.61 6.13 2.03 0.30 -4.94 116.55 123.66 3djq n ASP 121 Ca -0.10 0.35 -0.02 0.00 0.52 0.00 0.00 54.79 55.54 3djq n ASP 121 Cb 0.51 -0.92 -0.01 0.00 -0.72 0.00 0.00 41.12 39.97 3djq n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3djq s ALA 122 N -2.42 -2.12 0.14 -1.67 0.00 -1.06 -4.90 121.76 109.72 3djq s ALA 122 Ca -0.28 1.12 0.07 0.00 0.00 0.00 0.00 51.96 52.88 3djq s ALA 122 Cb 0.07 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 3djq s ALA 122 CO 0.62 -0.82 -0.07 -1.54 0.00 0.00 0.00 175.76 173.96 3djq s SER 123 N -2.57 4.49 0.00 0.00 1.04 -1.26 -0.27 113.70 115.12 3djq s SER 123 Ca 0.11 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3djq s SER 123 Cb 0.02 -0.87 0.00 0.00 0.10 0.00 0.00 66.02 65.27 3djq s SER 123 CO -0.04 0.14 0.06 0.55 0.98 0.00 0.00 173.24 174.93