#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djx n LEU 2 N -0.30 3.81 -4.77 0.00 4.77 -1.26 -4.98 117.00 114.29 2djx n LEU 2 Ca -0.09 -1.92 -0.38 0.00 -0.03 0.00 0.00 56.01 53.59 2djx n LEU 2 Cb 0.60 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2djx n LEU 2 CO 0.34 0.73 0.90 -1.59 -1.33 0.00 0.00 177.39 176.43 2djx s LYS 3 N -1.62 3.78 0.07 3.23 -2.85 -1.04 -4.01 119.74 117.30 2djx s LYS 3 Ca 0.42 1.99 -0.12 0.00 -1.00 0.00 0.00 55.97 57.26 2djx s LYS 3 Cb 0.26 -2.54 0.01 0.00 -2.06 0.00 0.00 37.83 33.50 2djx s LYS 3 CO 0.23 -0.60 0.27 -0.48 0.10 0.00 0.00 175.35 174.87 2djx s LEU 4 N -2.82 1.03 -0.12 2.77 2.34 -0.13 -4.96 118.68 116.78 2djx s LEU 4 Ca 0.62 -0.39 0.01 0.00 0.06 0.00 0.00 54.13 54.43 2djx s LEU 4 Cb -0.34 1.29 -0.01 0.00 -0.56 0.00 0.00 46.19 46.57 2djx s LEU 4 CO 0.42 -0.69 -0.16 0.20 -1.06 0.00 0.00 176.35 175.06 2djx s ASN 5 N -2.46 3.79 -0.08 1.48 0.01 -1.26 -0.83 114.94 115.59 2djx s ASN 5 Ca -0.00 -0.38 -0.11 0.00 -0.71 0.00 0.00 52.86 51.66 2djx s ASN 5 Cb 0.02 -1.55 0.02 0.00 0.41 0.00 0.00 41.25 40.15 2djx s ASN 5 CO -0.08 0.17 0.27 -0.76 -1.51 0.00 0.00 177.10 175.20 2djx s LEU 6 N 0.32 0.98 -1.40 0.60 1.43 -0.70 -4.95 118.68 114.96 2djx s LEU 6 Ca -0.13 0.39 -0.06 0.00 -1.03 0.00 0.00 54.13 53.30 2djx s LEU 6 Cb -0.16 1.00 0.03 0.00 0.03 0.00 0.00 46.19 47.09 2djx s LEU 6 CO 0.06 -0.20 0.48 0.18 0.23 0.00 0.00 176.35 177.10 2djx n LEU 7 N 2.43 -2.02 -1.38 1.79 4.77 -1.26 -0.97 117.00 120.36 2djx n LEU 7 Ca -0.16 -0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 55.40 2djx n LEU 7 Cb 0.57 -2.53 -0.04 0.00 -2.33 0.00 0.00 43.42 39.10 2djx n LEU 7 CO 0.18 0.15 -0.16 0.47 -1.33 0.00 0.00 177.39 176.70 2djx n ASP 8 N -2.34 -4.63 -4.29 -1.43 8.00 -1.26 -5.02 116.55 105.59 2djx n ASP 8 Ca -0.08 0.19 -0.17 0.00 0.71 0.00 0.00 54.79 55.44 2djx n ASP 8 Cb 0.59 -3.59 -0.10 0.00 -0.02 0.00 0.00 41.12 38.00 2djx n ASP 8 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2djx s HIS 9 N -2.63 1.51 -0.10 1.24 3.76 -0.14 -5.16 115.29 113.77 2djx s HIS 9 Ca 0.00 -0.61 -0.02 0.00 -0.15 0.00 0.00 55.06 54.29 2djx s HIS 9 Cb 0.00 -0.75 -0.03 0.00 1.11 0.00 0.00 32.58 32.91 2djx s HIS 9 CO 0.00 0.22 -0.03 0.08 -0.85 0.00 0.00 174.74 174.16 2djx s VAL 10 N -2.74 3.98 -0.04 -0.90 1.01 -1.26 -1.72 120.40 118.74 2djx s VAL 10 Ca 0.16 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.83 2djx s VAL 10 Cb -0.02 -2.68 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 2djx s VAL 10 CO 0.04 0.57 -0.16 -0.36 0.00 0.00 0.00 175.10 175.19 2djx s PHE 11 N -0.46 1.62 0.29 5.22 0.08 -0.01 -4.63 117.98 120.08 2djx s PHE 11 Ca 0.08 -0.45 0.18 0.00 0.12 0.00 0.00 56.93 56.86 2djx s PHE 11 Cb -0.12 -1.09 0.82 0.00 -0.57 0.00 0.00 43.02 42.06 2djx s PHE 11 CO 0.02 -0.15 1.82 0.00 -0.10 0.00 0.00 175.22 176.82 2djx h ALA 12 N 6.22 1.19 -2.73 5.36 0.00 -1.85 -0.33 119.26 127.12 2djx h ALA 12 Ca -0.33 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.37 2djx h ALA 12 Cb 1.17 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 2djx h ALA 12 CO 0.48 0.43 0.33 0.54 0.00 0.00 0.00 179.25 181.03 2djx s ASN 13 N -6.59 -0.26 0.00 0.00 2.20 -1.26 -2.50 114.94 106.54 2djx s ASN 13 Ca -0.02 -0.45 0.20 0.00 -0.94 0.00 0.00 52.86 51.66 2djx s ASN 13 Cb 0.13 0.61 1.10 0.00 -2.00 0.00 0.00 41.25 41.09 2djx s ASN 13 CO 0.69 -1.12 1.72 -0.81 -2.94 0.00 0.00 177.10 174.64 2djx n PRO 14 N -0.44 1.16 -3.37 3.55 -0.04 -1.26 -4.19 135.00 130.40 2djx n PRO 14 Ca -0.06 -0.24 -0.37 0.00 -0.04 0.00 0.00 63.50 62.79 2djx n PRO 14 Cb 0.60 -1.33 -0.06 0.00 -0.04 0.00 0.00 33.50 32.67 2djx n PRO 14 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2djx s PHE 15 N -1.96 3.69 0.20 0.54 0.08 -1.26 -0.44 117.98 118.83 2djx s PHE 15 Ca 0.31 1.10 -0.14 0.00 0.12 0.00 0.00 56.93 58.32 2djx s PHE 15 Cb 0.15 -2.38 0.01 0.00 -0.57 0.00 0.00 43.02 40.22 2djx s PHE 15 CO 0.24 0.52 0.44 0.00 -0.10 0.00 0.00 175.22 176.33 2djx s MET 16 N -1.54 1.37 0.63 0.44 0.23 -0.89 -0.71 119.30 118.83 2djx s MET 16 Ca 0.32 -1.07 -0.16 0.00 -1.03 0.00 0.00 55.69 53.75 2djx s MET 16 Cb -0.17 0.47 -0.02 0.00 -1.53 0.00 0.00 34.83 33.59 2djx s MET 16 CO 0.18 -0.56 1.13 0.54 -2.03 0.00 0.00 175.02 174.28 2djx s ASN 17 N -2.94 5.22 0.28 -1.18 4.22 -1.26 -1.55 114.94 117.72 2djx s ASN 17 Ca 0.15 2.09 -0.28 0.00 -2.14 0.00 0.00 52.86 52.68 2djx s ASN 17 Cb 0.00 -2.56 -0.09 0.00 1.28 0.00 0.00 41.25 39.88 2djx s ASN 17 CO 0.02 -1.56 0.99 0.00 -2.04 0.00 0.00 177.10 174.50 2djx s ALA 18 N -2.13 3.30 0.24 3.54 0.00 -0.59 -4.48 121.76 121.65 2djx s ALA 18 Ca 0.69 0.67 -0.31 0.00 0.00 0.00 0.00 51.96 53.02 2djx s ALA 18 Cb -0.22 -3.24 -0.14 0.00 0.00 0.00 0.00 23.12 19.52 2djx s ALA 18 CO 0.37 0.08 1.26 0.00 0.00 0.00 0.00 175.76 177.47 2djx n ALA 19 N 1.08 0.40 0.00 0.00 0.00 -1.26 -2.27 120.51 118.46 2djx n ALA 19 Ca -0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2djx n ALA 19 Cb 0.47 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.76 2djx n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2djx n GLY 20 N 1.78 3.33 3.60 0.00 0.00 -1.26 -4.92 105.19 107.72 2djx n GLY 20 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 2djx n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2djx s VAL 21 N -2.70 5.07 -1.30 1.61 1.01 -0.96 -4.59 120.40 118.54 2djx s VAL 21 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 2djx s VAL 21 Cb 0.00 -3.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 2djx s VAL 21 CO 0.00 0.34 0.68 -0.11 0.00 0.00 0.00 175.10 176.00 2djx n LEU 22 N 4.49 -3.07 -0.72 3.92 7.94 -1.26 -4.73 117.00 123.58 2djx n LEU 22 Ca -0.15 -0.85 -0.03 0.00 -1.11 0.00 0.00 56.01 53.87 2djx n LEU 22 Cb 0.52 -2.62 -0.03 0.00 0.53 0.00 0.00 43.42 41.82 2djx n LEU 22 CO 0.34 0.41 0.29 0.00 -1.11 0.00 0.00 177.39 177.32 2djx s THR 25 N -2.55 3.29 0.24 0.00 -4.23 -1.26 -4.59 115.64 106.53 2djx s THR 25 Ca -0.24 -1.54 -0.06 0.00 -1.18 0.00 0.00 61.69 58.67 2djx s THR 25 Cb 0.07 -3.08 0.20 0.00 1.34 0.00 0.00 72.50 71.03 2djx s THR 25 CO 0.73 -0.18 1.83 -0.08 -0.54 0.00 0.00 174.62 176.38 2djx h GLU 26 N 1.41 0.84 -0.38 3.99 4.81 -1.99 -1.60 114.58 121.65 2djx h GLU 26 Ca -0.44 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 58.79 2djx h GLU 26 Cb 1.25 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 30.39 2djx h GLU 26 CO 0.61 0.56 0.08 1.49 -0.73 0.00 0.00 179.01 181.01 2djx h GLU 27 N 0.87 0.19 -0.23 1.92 4.81 -1.99 -1.22 114.58 118.93 2djx h GLU 27 Ca 0.37 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.62 2djx h GLU 27 Cb 0.23 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2djx h GLU 27 CO -0.20 0.13 0.03 -0.44 -0.73 0.00 0.00 179.01 177.81 2djx h ASP 28 N 0.20 -0.02 -0.66 1.04 3.32 -1.73 -1.49 116.42 117.09 2djx h ASP 28 Ca 0.18 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 2djx h ASP 28 Cb 0.21 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 2djx h ASP 28 CO -0.23 0.02 0.15 -0.07 -1.72 0.00 0.00 179.24 177.39 2djx h LEU 29 N 0.12 1.02 -1.01 1.55 3.38 -1.01 -0.93 115.31 118.43 2djx h LEU 29 Ca 0.11 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 2djx h LEU 29 Cb 0.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2djx h LEU 29 CO -0.15 0.98 -0.46 0.03 0.09 0.00 0.00 178.44 178.93 2djx h ARG 30 N 1.02 0.07 -0.06 1.13 3.08 -1.07 -1.36 114.38 117.19 2djx h ARG 30 Ca 0.21 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 2djx h ARG 30 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 2djx h ARG 30 CO 0.00 0.52 -0.02 0.00 -1.07 0.00 0.00 179.97 179.41 2djx h MET 32 N -0.22 1.01 -0.51 0.00 2.86 -1.11 -2.23 114.93 114.72 2djx h MET 32 Ca 0.02 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 2djx h MET 32 Cb 0.42 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2djx h MET 32 CO 0.01 0.67 -0.06 1.15 1.06 0.00 0.00 176.91 179.73 2djx h THR 33 N 1.04 1.26 0.00 2.22 2.02 -1.19 -2.95 112.91 115.31 2djx h THR 33 Ca 0.31 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.33 2djx h THR 33 Cb -0.04 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2djx h THR 33 CO -0.08 0.41 0.00 0.00 0.37 0.00 0.00 175.52 176.22 2djx h ALA 34 N 1.10 1.00 -2.33 6.16 0.00 -0.84 -3.46 119.26 120.90 2djx h ALA 34 Ca 0.14 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.60 2djx h ALA 34 Cb 0.58 0.00 0.15 0.00 0.00 0.00 0.00 17.79 18.52 2djx h ALA 34 CO 0.04 0.00 0.24 -1.54 0.00 0.00 0.00 179.25 177.99 2djx s SER 35 N -4.88 2.69 0.00 0.00 1.04 -0.88 -4.96 113.70 106.70 2djx s SER 35 Ca 0.04 0.90 0.28 0.00 0.48 0.00 0.00 55.95 57.66 2djx s SER 35 Cb 0.09 -1.40 1.54 0.00 0.10 0.00 0.00 66.02 66.35 2djx s SER 35 CO 0.49 -3.06 2.01 -1.54 0.98 0.00 0.00 173.24 172.12 2djx n SER 36 N -4.09 0.41 -4.59 7.02 3.41 -1.26 -4.93 113.62 109.59 2djx n SER 36 Ca 0.08 -1.21 -0.39 0.00 -0.26 0.00 0.00 58.87 57.09 2djx n SER 36 Cb 0.59 -0.01 0.04 0.00 -0.26 0.00 0.00 64.21 64.57 2djx n SER 36 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2djx n SER 37 N -0.64 0.57 0.22 4.04 3.41 -1.26 -4.91 113.62 115.05 2djx n SER 37 Ca 0.21 0.84 0.10 0.00 -0.26 0.00 0.00 58.87 59.76 2djx n SER 37 Cb 0.17 -1.35 0.40 0.00 -0.26 0.00 0.00 64.21 63.17 2djx n SER 37 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2djx h GLY 38 N 0.67 0.00 -1.43 5.00 0.00 -1.09 -3.48 103.07 102.76 2djx h GLY 38 Ca -0.47 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 2djx h GLY 38 CO 0.51 0.00 0.21 0.00 0.00 0.00 0.00 176.54 177.26 2djx s ALA 39 N -3.50 -0.70 0.04 3.60 0.00 -1.08 -4.26 121.76 115.86 2djx s ALA 39 Ca 0.02 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 51.24 2djx s ALA 39 Cb 0.09 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 2djx s ALA 39 CO 0.64 -0.98 0.01 -0.48 0.00 0.00 0.00 175.76 174.96 2djx s LEU 40 N -3.05 2.21 -0.02 0.00 2.34 -1.13 -4.22 118.68 114.82 2djx s LEU 40 Ca 0.16 -0.75 0.05 0.00 0.06 0.00 0.00 54.13 53.65 2djx s LEU 40 Cb -0.05 0.31 -0.01 0.00 -0.56 0.00 0.00 46.19 45.88 2djx s LEU 40 CO 0.11 -0.51 -0.16 0.54 -1.06 0.00 0.00 176.35 175.27 2djx s VAL 41 N -2.99 1.31 0.58 1.48 0.11 -1.26 -1.26 120.40 118.37 2djx s VAL 41 Ca -0.02 -0.70 -0.13 0.00 -2.93 0.00 0.00 61.98 58.20 2djx s VAL 41 Cb 0.01 -1.10 -0.06 0.00 -1.53 0.00 0.00 36.38 33.71 2djx s VAL 41 CO -0.07 0.37 1.01 -0.94 -3.33 0.00 0.00 175.10 172.15 2djx s SER 42 N -0.31 6.37 0.26 3.54 1.04 -0.75 -4.73 113.70 119.12 2djx s SER 42 Ca 0.05 1.50 -0.30 0.00 0.48 0.00 0.00 55.95 57.67 2djx s SER 42 Cb -0.07 -2.49 -0.14 0.00 0.10 0.00 0.00 66.02 63.42 2djx s SER 42 CO -0.00 -0.77 1.29 1.17 0.98 0.00 0.00 173.24 175.91 2djx n LYS 43 N -2.24 1.85 -1.67 4.02 3.00 -0.66 -3.84 118.16 118.62 2djx n LYS 43 Ca 0.06 0.65 -0.46 0.00 -0.00 0.00 0.00 58.31 58.57 2djx n LYS 43 Cb 0.54 -2.23 -0.04 0.00 0.00 0.00 0.00 35.03 33.29 2djx n LYS 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2djx n SER 44 N 1.70 3.14 -4.56 3.14 7.64 -1.26 -4.59 113.62 118.82 2djx n SER 44 Ca 0.10 1.07 -0.24 0.00 1.01 0.00 0.00 58.87 60.81 2djx n SER 44 Cb 0.32 -1.43 -0.09 0.00 -1.01 0.00 0.00 64.21 62.00 2djx n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2djx s THR 46 N -2.49 1.72 0.29 0.00 -4.23 -1.26 -1.24 115.64 108.43 2djx s THR 46 Ca 0.32 -2.10 -0.01 0.00 -1.18 0.00 0.00 61.69 58.72 2djx s THR 46 Cb -0.03 -2.61 0.27 0.00 1.34 0.00 0.00 72.50 71.47 2djx s THR 46 CO 0.17 -0.19 1.91 0.28 -0.54 0.00 0.00 174.62 176.25 2djx h SER 47 N 2.14 0.96 -3.08 3.99 0.02 -1.94 -0.43 113.55 115.21 2djx h SER 47 Ca -0.41 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 59.92 2djx h SER 47 Cb 1.24 -0.21 -0.11 0.00 0.14 0.00 0.00 62.40 63.46 2djx h SER 47 CO 0.70 0.63 -0.65 0.00 -1.14 0.00 0.00 176.83 176.37 2djx s ALA 48 N -5.95 3.27 0.55 3.77 0.00 -1.26 -4.07 121.76 118.07 2djx s ALA 48 Ca -0.12 -1.25 -0.21 0.00 0.00 0.00 0.00 51.96 50.39 2djx s ALA 48 Cb 0.20 -1.11 -0.06 0.00 0.00 0.00 0.00 23.12 22.15 2djx s ALA 48 CO 0.80 0.58 1.15 -2.30 0.00 0.00 0.00 175.76 175.99 2djx n PRO 49 N 0.16 1.32 -4.47 0.00 -0.02 -1.26 -4.49 135.00 126.25 2djx n PRO 49 Ca -0.10 0.49 -0.21 0.00 -2.02 0.00 0.00 63.50 61.66 2djx n PRO 49 Cb 0.54 -2.33 -0.15 0.00 -0.02 0.00 0.00 33.50 31.53 2djx n PRO 49 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2djx s ARG 50 N -2.71 1.01 0.29 -0.52 0.52 -0.66 -4.93 118.95 111.96 2djx s ARG 50 Ca 0.72 -0.37 0.15 0.00 -0.52 0.00 0.00 55.73 55.71 2djx s ARG 50 Cb -0.44 -0.95 0.31 0.00 0.52 0.00 0.00 34.95 34.40 2djx s ARG 50 CO 0.49 0.18 1.56 -0.44 0.02 0.00 0.00 175.30 177.11 2djx h ASP 51 N 6.14 0.00 -3.72 0.23 3.32 -1.88 -2.27 116.42 118.25 2djx h ASP 51 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2djx h ASP 51 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2djx h ASP 51 CO 0.49 0.54 0.00 0.61 -1.72 0.00 0.00 179.24 179.15 2djx n GLY 52 N 0.73 -1.99 3.84 2.75 0.00 -1.26 -4.67 105.19 104.59 2djx n GLY 52 Ca 0.00 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 2djx n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2djx s ASN 53 N -4.00 5.53 0.59 1.61 0.01 0.02 -4.97 114.94 113.74 2djx s ASN 53 Ca 0.00 1.47 -0.18 0.00 -0.71 0.00 0.00 52.86 53.44 2djx s ASN 53 Cb 0.00 -2.38 -0.03 0.00 0.41 0.00 0.00 41.25 39.25 2djx s ASN 53 CO 0.00 -1.33 1.15 -2.84 -1.51 0.00 0.00 177.10 172.58 2djx s PRO 54 N -5.13 3.05 0.39 -0.60 0.02 -1.26 -4.95 135.00 126.52 2djx s PRO 54 Ca 0.57 1.64 -0.15 0.00 0.02 0.00 0.00 61.00 63.09 2djx s PRO 54 Cb -0.13 -1.96 -0.08 0.00 0.02 0.00 0.00 34.50 32.35 2djx s PRO 54 CO 0.54 -1.10 0.82 -1.21 -0.33 0.00 0.00 177.00 175.72 2djx s GLU 55 N -3.50 3.97 0.24 5.54 0.41 -1.26 -4.18 118.70 119.92 2djx s GLU 55 Ca 0.73 0.73 -0.30 0.00 -0.41 0.00 0.00 54.97 55.72 2djx s GLU 55 Cb -0.25 -2.33 -0.09 0.00 -1.78 0.00 0.00 34.13 29.67 2djx s GLU 55 CO 0.33 0.01 1.16 -1.25 -0.49 0.00 0.00 175.26 175.01 2djx s PRO 56 N -3.43 4.55 0.00 0.39 0.04 -1.26 -4.77 135.00 130.52 2djx s PRO 56 Ca 0.55 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.47 2djx s PRO 56 Cb -0.10 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2djx s PRO 56 CO 0.23 0.05 0.23 2.89 0.04 0.00 0.00 177.00 180.44 2djx n ARG 57 N 1.72 0.62 -3.92 4.56 1.85 -1.26 -0.96 116.66 119.27 2djx n ARG 57 Ca 0.01 -0.23 -0.14 0.00 -1.00 0.00 0.00 57.85 56.49 2djx n ARG 57 Cb 0.44 -0.69 -0.15 0.00 -1.05 0.00 0.00 32.46 31.02 2djx n ARG 57 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 2djx s TYR 58 N -0.15 0.16 -0.06 2.89 6.14 -1.26 -0.97 117.35 124.10 2djx s TYR 58 Ca 0.00 0.00 -0.04 0.00 0.64 0.00 0.00 57.07 57.68 2djx s TYR 58 Cb 0.00 -0.18 0.03 0.00 0.42 0.00 0.00 41.96 42.23 2djx s TYR 58 CO 0.00 -0.04 0.14 -1.64 0.64 0.00 0.00 175.55 174.65 2djx s MET 59 N 0.36 0.12 0.08 4.97 -1.94 -0.70 -5.03 119.30 117.16 2djx s MET 59 Ca -0.03 0.28 0.05 0.00 -1.71 0.00 0.00 55.69 54.28 2djx s MET 59 Cb -0.05 -0.05 -0.04 0.00 2.01 0.00 0.00 34.83 36.69 2djx s MET 59 CO -0.01 -0.09 -0.02 0.00 -0.01 0.00 0.00 175.02 174.89 2djx s ALA 60 N 0.62 3.24 0.16 3.03 0.00 -1.26 -1.69 121.76 125.87 2djx s ALA 60 Ca -0.05 -1.12 -0.05 0.00 0.00 0.00 0.00 51.96 50.75 2djx s ALA 60 Cb -0.06 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 2djx s ALA 60 CO -0.03 0.69 0.18 -0.06 0.00 0.00 0.00 175.76 176.54 2djx s PHE 61 N -1.27 0.71 0.30 0.00 0.40 0.68 -5.01 117.98 113.80 2djx s PHE 61 Ca 0.24 -1.06 0.06 0.00 -0.60 0.00 0.00 56.93 55.58 2djx s PHE 61 Cb -0.12 -0.30 0.75 0.00 0.51 0.00 0.00 43.02 43.86 2djx s PHE 61 CO 0.17 -0.64 1.77 -1.35 0.70 0.00 0.00 175.22 175.87 2djx h PRO 62 N 2.67 0.72 -0.09 0.24 0.11 -2.03 -2.15 132.00 131.47 2djx h PRO 62 Ca -0.33 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2djx h PRO 62 Cb 1.22 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2djx h PRO 62 CO 0.53 0.48 0.00 1.28 -0.21 0.00 0.00 178.00 180.08 2djx n LEU 63 N -4.78 1.78 0.00 2.35 4.77 -1.26 -4.86 117.00 115.00 2djx n LEU 63 Ca 0.24 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 2djx n LEU 63 Cb 0.58 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2djx n LEU 63 CO 0.21 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2djx n GLY 64 N 1.19 0.50 3.15 -0.72 0.00 -0.81 -1.23 105.19 107.27 2djx n GLY 64 Ca 0.18 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.64 2djx n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2djx s SER 65 N -4.00 1.09 -0.02 1.61 1.04 -0.34 -0.23 113.70 112.84 2djx s SER 65 Ca 0.00 -0.90 0.06 0.00 0.48 0.00 0.00 55.95 55.58 2djx s SER 65 Cb 0.00 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 2djx s SER 65 CO 0.00 -0.40 -0.19 -0.51 0.98 0.00 0.00 173.24 173.11 2djx s ILE 66 N -3.11 1.52 0.00 -1.02 2.07 -0.68 -1.80 121.20 118.17 2djx s ILE 66 Ca 0.07 -0.81 -0.11 0.00 -1.41 0.00 0.00 60.65 58.39 2djx s ILE 66 Cb 0.02 -1.27 0.01 0.00 0.13 0.00 0.00 42.46 41.35 2djx s ILE 66 CO -0.04 0.43 0.22 0.54 -1.91 0.00 0.00 174.94 174.19 2djx s ASN 67 N -0.38 -0.07 -0.41 4.50 2.20 -0.74 -1.72 114.94 118.32 2djx s ASN 67 Ca 0.06 -0.09 0.08 0.00 -0.94 0.00 0.00 52.86 51.96 2djx s ASN 67 Cb -0.08 0.26 0.26 0.00 -2.00 0.00 0.00 41.25 39.69 2djx s ASN 67 CO -0.00 -0.43 0.55 -0.24 -2.94 0.00 0.00 177.10 174.04 2djx n SER 68 N 1.27 0.50 -0.22 3.54 2.88 -0.14 -0.75 113.62 120.70 2djx n SER 68 Ca -0.22 -2.77 -0.08 0.00 -1.33 0.00 0.00 58.87 54.47 2djx n SER 68 Cb 0.56 -0.64 0.03 0.00 -0.75 0.00 0.00 64.21 63.41 2djx n SER 68 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 2djx h MET 69 N 3.96 0.99 -0.25 -1.46 2.86 -1.90 -3.41 114.93 115.72 2djx h MET 69 Ca 0.08 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2djx h MET 69 Cb 0.87 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.39 2djx h MET 69 CO 0.49 0.90 0.00 0.41 1.06 0.00 0.00 176.91 179.77 2djx n GLY 70 N -0.65 0.64 3.71 8.32 0.00 -1.26 -0.80 105.19 115.15 2djx n GLY 70 Ca 0.04 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 2djx n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2djx n LEU 71 N -0.12 -3.10 -4.71 0.99 4.77 -1.26 -4.30 117.00 109.27 2djx n LEU 71 Ca 0.00 -0.80 -0.42 0.00 -0.03 0.00 0.00 56.01 54.76 2djx n LEU 71 Cb 0.45 -2.68 -0.03 0.00 -2.33 0.00 0.00 43.42 38.84 2djx n LEU 71 CO 0.00 0.42 1.09 -2.16 -1.33 0.00 0.00 177.39 175.41 2djx s PRO 72 N -6.02 4.30 0.13 3.23 0.04 -1.26 -4.65 135.00 130.77 2djx s PRO 72 Ca 0.08 2.12 -0.24 0.00 0.04 0.00 0.00 61.00 62.99 2djx s PRO 72 Cb -0.04 -3.25 0.07 0.00 0.04 0.00 0.00 34.50 31.33 2djx s PRO 72 CO 0.81 -0.47 0.66 0.54 0.04 0.00 0.00 177.00 178.59 2djx s ASN 73 N 1.14 -0.51 0.00 6.66 2.20 -0.86 -4.95 114.94 118.62 2djx s ASN 73 Ca 0.65 -0.02 0.29 0.00 -0.94 0.00 0.00 52.86 52.84 2djx s ASN 73 Cb -0.38 0.56 1.56 0.00 -2.00 0.00 0.00 41.25 41.00 2djx s ASN 73 CO 0.30 -0.91 2.02 0.18 -2.94 0.00 0.00 177.10 175.75 2djx n LEU 74 N -0.36 0.00 0.00 3.54 4.77 -1.26 -1.65 117.00 122.04 2djx n LEU 74 Ca -0.15 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2djx n LEU 74 Cb 0.64 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2djx n LEU 74 CO 0.12 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 2djx n GLY 75 N 0.99 1.03 0.34 -0.72 0.00 -1.26 -4.47 105.19 101.10 2djx n GLY 75 Ca 0.17 -1.60 0.11 0.00 0.00 0.00 0.00 46.02 44.70 2djx n GLY 75 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2djx h PHE 76 N 0.00 0.99 -0.82 1.61 3.57 -1.21 -1.86 116.94 119.22 2djx h PHE 76 Ca 0.00 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.66 2djx h PHE 76 Cb 0.00 -0.29 -0.08 0.00 2.79 0.00 0.00 35.95 38.36 2djx h PHE 76 CO 0.00 0.23 0.43 -0.44 -2.23 0.00 0.00 178.31 176.30 2djx h ASP 77 N 0.73 0.55 -0.00 0.41 3.32 -1.86 -0.57 116.42 119.00 2djx h ASP 77 Ca 0.55 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.67 2djx h ASP 77 Cb 0.82 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 2djx h ASP 77 CO -0.38 0.27 0.00 0.15 -1.72 0.00 0.00 179.24 177.57 2djx h PHE 78 N 0.66 0.01 -0.28 4.55 3.57 -1.57 -2.29 116.94 121.59 2djx h PHE 78 Ca 0.42 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.84 2djx h PHE 78 Cb 0.52 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 2djx h PHE 78 CO -0.09 0.20 -0.20 1.88 -2.23 0.00 0.00 178.31 177.88 2djx h TYR 79 N -0.19 0.56 -0.43 0.41 0.05 -1.35 -1.02 116.97 115.00 2djx h TYR 79 Ca 0.00 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.67 2djx h TYR 79 Cb 0.20 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 2djx h TYR 79 CO -0.01 0.68 0.26 1.25 -1.05 0.00 0.00 178.16 179.29 2djx h LEU 80 N 0.46 0.52 -0.66 3.88 5.85 -1.13 -1.29 115.31 122.94 2djx h LEU 80 Ca 0.07 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2djx h LEU 80 Cb 0.60 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2djx h LEU 80 CO 0.04 0.43 0.26 0.50 -0.34 0.00 0.00 178.44 179.33 2djx h LYS 81 N 0.58 0.99 -0.20 1.25 3.64 -1.14 0.75 116.57 122.43 2djx h LYS 81 Ca 0.16 -0.18 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 2djx h LYS 81 Cb 0.00 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 2djx h LYS 81 CO -0.03 0.83 -0.03 -0.92 -2.27 0.00 0.00 179.45 177.03 2djx h TYR 82 N 0.93 -0.07 -0.78 1.91 3.20 -0.98 0.31 116.97 121.49 2djx h TYR 82 Ca 0.22 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 2djx h TYR 82 Cb 0.22 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 2djx h TYR 82 CO 0.01 -0.07 0.30 0.00 -1.64 0.00 0.00 178.16 176.77 2djx h ALA 83 N 1.19 1.01 0.17 1.82 0.00 -0.84 -0.91 119.26 121.70 2djx h ALA 83 Ca 0.10 -0.20 -0.31 0.00 0.00 0.00 0.00 54.91 54.50 2djx h ALA 83 Cb 0.14 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.64 2djx h ALA 83 CO -0.19 0.65 -1.46 0.66 0.00 0.00 0.00 179.25 178.91 2djx h SER 84 N 1.14 0.56 0.00 0.00 4.64 -0.65 -3.42 113.55 115.81 2djx h SER 84 Ca 0.26 -0.66 -0.05 0.00 -0.47 0.00 0.00 61.79 60.86 2djx h SER 84 Cb 0.23 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2djx h SER 84 CO -0.02 1.53 -1.25 0.47 -0.87 0.00 0.00 176.83 176.69 2djx n ASP 85 N -3.57 4.02 -0.08 4.97 8.00 0.08 -4.91 116.55 125.06 2djx n ASP 85 Ca -0.15 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.24 2djx n ASP 85 Cb 1.06 0.76 -0.08 0.00 -0.02 0.00 0.00 41.12 42.85 2djx n ASP 85 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2djx n LEU 86 N -2.01 2.72 -4.75 0.64 4.77 -0.68 -5.02 117.00 112.67 2djx n LEU 86 Ca -0.05 -0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.44 2djx n LEU 86 Cb 0.49 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 2djx n LEU 86 CO 0.09 0.73 1.04 -2.28 -1.33 0.00 0.00 177.39 175.63 2djx s HIS 87 N -2.32 3.06 -0.77 -1.77 2.46 -0.43 -4.96 115.29 110.55 2djx s HIS 87 Ca -0.20 1.21 -0.20 0.00 0.47 0.00 0.00 55.06 56.34 2djx s HIS 87 Cb 0.05 -3.74 0.11 0.00 -0.13 0.00 0.00 32.58 28.88 2djx s HIS 87 CO 0.38 -2.24 0.98 0.34 -2.47 0.00 0.00 174.74 171.73 2djx s ASP 88 N 0.02 6.40 0.00 9.88 2.15 -1.26 -4.90 116.67 128.95 2djx s ASP 88 Ca 0.55 -1.60 0.14 0.00 0.43 0.00 0.00 52.55 52.06 2djx s ASP 88 Cb -0.40 -2.38 0.61 0.00 -0.30 0.00 0.00 42.92 40.45 2djx s ASP 88 CO 0.47 -1.18 1.43 -1.22 -0.17 0.00 0.00 175.17 174.50 2djx n TYR 89 N 6.81 0.00 0.36 -5.34 4.01 -1.26 -1.85 117.16 119.89 2djx n TYR 89 Ca 0.08 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.96 2djx n TYR 89 Cb 0.47 -0.47 0.42 0.00 -0.31 0.00 0.00 39.34 39.44 2djx n TYR 89 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2djx h SER 90 N 0.00 0.00 0.00 7.72 4.64 -2.02 -3.32 113.55 120.56 2djx h SER 90 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2djx h SER 90 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 2djx h SER 90 CO 0.00 0.00 -0.35 0.50 -0.87 0.00 0.00 176.83 176.11 2djx h LYS 91 N 0.00 0.00 -1.91 4.77 1.63 -1.79 -3.50 116.57 115.78 2djx h LYS 91 Ca 0.00 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 59.95 2djx h LYS 91 Cb 0.70 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 32.15 2djx h LYS 91 CO 0.00 0.88 0.60 -1.59 -3.45 0.00 0.00 179.45 175.89 2djx s LYS 92 N -2.20 0.63 0.62 1.90 -2.85 -1.25 -5.00 119.74 111.59 2djx s LYS 92 Ca -0.20 -0.16 -0.17 0.00 -1.00 0.00 0.00 55.97 54.44 2djx s LYS 92 Cb -0.00 0.29 -0.02 0.00 -2.06 0.00 0.00 37.83 36.04 2djx s LYS 92 CO 0.59 -0.26 1.15 -2.14 0.10 0.00 0.00 175.35 174.79 2djx s PRO 93 N -2.51 2.91 -0.09 1.78 0.02 -1.26 -4.61 135.00 131.23 2djx s PRO 93 Ca 0.05 1.59 0.02 0.00 0.02 0.00 0.00 61.00 62.68 2djx s PRO 93 Cb -0.01 -1.95 -0.02 0.00 0.02 0.00 0.00 34.50 32.55 2djx s PRO 93 CO -0.06 -1.20 -0.16 -1.17 -0.33 0.00 0.00 177.00 174.08 2djx s LEU 94 N -4.42 2.57 -0.04 -5.54 2.96 -1.26 -2.83 118.68 110.10 2djx s LEU 94 Ca 0.72 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 54.28 2djx s LEU 94 Cb -0.25 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 2djx s LEU 94 CO 0.36 0.23 0.02 -0.36 -1.32 0.00 0.00 176.35 175.28 2djx s PHE 95 N -0.05 3.17 -0.17 5.38 0.40 -0.39 -1.74 117.98 124.58 2djx s PHE 95 Ca -0.04 0.17 -0.00 0.00 -0.60 0.00 0.00 56.93 56.46 2djx s PHE 95 Cb -0.14 -1.75 0.00 0.00 0.51 0.00 0.00 43.02 41.64 2djx s PHE 95 CO 0.04 0.49 -0.14 -1.17 0.70 0.00 0.00 175.22 175.14 2djx s LEU 96 N -1.26 2.49 -0.13 -0.37 0.20 0.10 -1.81 118.68 117.90 2djx s LEU 96 Ca 0.17 -0.49 -0.12 0.00 0.69 0.00 0.00 54.13 54.38 2djx s LEU 96 Cb -0.12 -1.58 -0.05 0.00 -0.43 0.00 0.00 46.19 44.02 2djx s LEU 96 CO 0.07 0.05 0.27 -0.55 -0.29 0.00 0.00 176.35 175.90 2djx s SER 97 N 1.03 6.48 0.04 3.68 0.15 -1.25 -1.50 113.70 122.33 2djx s SER 97 Ca -0.01 0.56 0.08 0.00 0.70 0.00 0.00 55.95 57.29 2djx s SER 97 Cb -0.15 -2.17 -0.03 0.00 -1.71 0.00 0.00 66.02 61.97 2djx s SER 97 CO -0.03 0.20 -0.24 0.27 1.20 0.00 0.00 173.24 174.64 2djx s ILE 98 N -0.09 2.34 -0.40 6.45 -4.36 -0.92 -2.31 121.20 121.91 2djx s ILE 98 Ca 0.17 -1.31 0.08 0.00 -0.26 0.00 0.00 60.65 59.33 2djx s ILE 98 Cb -0.13 -1.93 0.26 0.00 1.25 0.00 0.00 42.46 41.91 2djx s ILE 98 CO 0.05 0.37 0.61 -0.24 0.24 0.00 0.00 174.94 175.98 2djx n SER 99 N 1.75 -0.21 -4.70 4.36 2.88 -0.37 -1.24 113.62 116.09 2djx n SER 99 Ca -0.17 -2.84 -0.34 0.00 -1.33 0.00 0.00 58.87 54.19 2djx n SER 99 Cb 0.52 -0.24 0.11 0.00 -0.75 0.00 0.00 64.21 63.85 2djx n SER 99 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2djx s GLY 100 N -1.43 2.30 0.00 0.46 0.00 -1.26 -4.69 107.32 102.71 2djx s GLY 100 Ca 0.35 0.92 0.28 0.00 0.00 0.00 0.00 44.72 46.27 2djx s GLY 100 CO -0.12 1.34 1.84 1.04 0.00 0.00 0.00 173.10 177.20 2djx n LEU 101 N -3.01 1.14 -3.83 0.66 4.77 -1.26 -4.87 117.00 110.60 2djx n LEU 101 Ca 0.14 -0.39 -0.09 0.00 -0.03 0.00 0.00 56.01 55.64 2djx n LEU 101 Cb 0.50 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 2djx n LEU 101 CO 0.48 0.19 0.26 -0.94 -1.33 0.00 0.00 177.39 176.06 2djx s SER 102 N -1.96 -0.20 0.20 -1.43 1.04 -1.26 -5.03 113.70 105.05 2djx s SER 102 Ca 0.40 -0.63 -0.10 0.00 0.48 0.00 0.00 55.95 56.10 2djx s SER 102 Cb 0.21 0.60 0.13 0.00 0.10 0.00 0.00 66.02 67.05 2djx s SER 102 CO 0.34 -1.11 1.79 1.62 0.98 0.00 0.00 173.24 176.85 2djx h VAL 103 N 2.20 1.24 -0.86 5.02 3.04 -2.00 -2.84 116.25 122.05 2djx h VAL 103 Ca -0.27 -0.66 0.00 0.00 -1.01 0.00 0.00 66.70 64.76 2djx h VAL 103 Cb 1.26 0.34 -0.04 0.00 -2.01 0.00 0.00 31.29 30.84 2djx h VAL 103 CO 0.35 0.28 0.54 1.05 -1.01 0.00 0.00 177.57 178.78 2djx h GLU 104 N 1.01 1.16 -0.21 4.17 4.11 -1.99 -1.71 114.58 121.12 2djx h GLU 104 Ca 0.25 -0.09 -0.02 0.00 0.07 0.00 0.00 59.36 59.57 2djx h GLU 104 Cb 0.12 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2djx h GLU 104 CO -0.03 0.79 0.06 1.49 0.07 0.00 0.00 179.01 181.39 2djx h GLU 105 N 1.18 0.33 -0.67 1.06 4.81 -1.93 -1.57 114.58 117.79 2djx h GLU 105 Ca 0.31 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.51 2djx h GLU 105 Cb -0.08 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.21 2djx h GLU 105 CO -0.06 0.44 0.40 -0.91 -0.73 0.00 0.00 179.01 178.15 2djx h ASN 106 N 0.16 0.63 -0.56 1.04 2.35 -1.27 -2.41 115.58 115.51 2djx h ASN 106 Ca 0.07 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2djx h ASN 106 Cb 0.26 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 2djx h ASN 106 CO -0.00 0.43 0.28 0.58 -1.65 0.00 0.00 177.43 177.07 2djx h VAL 107 N 0.77 1.20 -0.39 2.81 2.07 -1.22 -1.06 116.25 120.43 2djx h VAL 107 Ca 0.28 -0.56 0.06 0.00 0.82 0.00 0.00 66.70 67.30 2djx h VAL 107 Cb 0.08 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 2djx h VAL 107 CO -0.13 0.23 0.09 0.00 0.02 0.00 0.00 177.57 177.77 2djx h ALA 108 N 1.11 0.43 -0.22 1.67 0.00 -1.07 -2.22 119.26 118.96 2djx h ALA 108 Ca 0.19 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2djx h ALA 108 Cb 0.10 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2djx h ALA 108 CO -0.03 -0.31 0.07 0.52 0.00 0.00 0.00 179.25 179.51 2djx h MET 109 N 0.23 0.33 0.00 0.00 2.07 -1.17 -3.23 114.93 113.17 2djx h MET 109 Ca 0.19 -0.07 -0.07 0.00 -2.07 0.00 0.00 59.70 57.68 2djx h MET 109 Cb 0.21 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 29.88 2djx h MET 109 CO -0.23 0.41 -0.33 -0.39 1.07 0.00 0.00 176.91 177.45 2djx h VAL 110 N 0.18 1.23 -0.65 -2.22 -1.51 -1.03 -1.16 116.25 111.11 2djx h VAL 110 Ca 0.07 -1.12 0.02 0.00 -1.23 0.00 0.00 66.70 64.45 2djx h VAL 110 Cb 0.22 1.60 -0.03 0.00 -2.13 0.00 0.00 31.29 30.94 2djx h VAL 110 CO -0.00 0.32 0.43 0.03 -1.23 0.00 0.00 177.57 177.11 2djx h ARG 111 N 0.00 0.79 0.00 5.19 3.08 -1.42 -1.89 114.38 120.13 2djx h ARG 111 Ca -0.00 -0.05 -0.20 0.00 0.07 0.00 0.00 59.98 59.80 2djx h ARG 111 Cb 0.58 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 2djx h ARG 111 CO 0.04 0.52 -1.21 0.00 -1.07 0.00 0.00 179.97 178.25 2djx h ARG 112 N 0.81 0.00 -0.38 0.04 3.08 -1.48 -3.35 114.38 113.11 2djx h ARG 112 Ca 0.25 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.18 2djx h ARG 112 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2djx h ARG 112 CO -0.06 0.59 -0.25 1.25 -1.07 0.00 0.00 179.97 180.42 2djx h LEU 113 N 0.00 0.79 -0.62 3.04 5.85 -0.95 -3.37 115.31 120.06 2djx h LEU 113 Ca -0.12 -0.29 0.10 0.00 0.84 0.00 0.00 57.88 58.40 2djx h LEU 113 Cb 1.72 -0.22 -0.11 0.00 0.37 0.00 0.00 40.66 42.42 2djx h LEU 113 CO 0.08 1.00 -0.38 0.00 -0.34 0.00 0.00 178.44 178.81 2djx h ALA 114 N 1.06 -0.13 -0.54 1.25 0.00 -1.48 0.23 119.26 119.64 2djx h ALA 114 Ca 0.09 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.18 2djx h ALA 114 Cb 0.76 0.86 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 2djx h ALA 114 CO 0.06 -0.73 0.36 -1.00 0.00 0.00 0.00 179.25 177.94 2djx h PRO 115 N -0.17 0.60 -0.18 0.00 0.13 -1.80 -0.34 132.00 130.24 2djx h PRO 115 Ca 0.22 -0.04 -0.21 0.00 -0.87 0.00 0.00 66.00 65.11 2djx h PRO 115 Cb 0.56 -0.14 0.01 0.00 0.13 0.00 0.00 31.00 31.56 2djx h PRO 115 CO -0.71 0.40 -0.71 0.28 -0.23 0.00 0.00 178.00 177.03 2djx h VAL 116 N 0.62 1.29 -0.50 1.56 2.07 -1.46 -1.49 116.25 118.33 2djx h VAL 116 Ca 0.22 -1.92 0.03 0.00 0.82 0.00 0.00 66.70 65.85 2djx h VAL 116 Cb 0.10 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 2djx h VAL 116 CO -0.06 0.61 0.28 0.00 0.02 0.00 0.00 177.57 178.42 2djx h ALA 117 N 0.64 0.64 -0.36 1.67 0.00 -0.59 0.82 119.26 122.08 2djx h ALA 117 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2djx h ALA 117 Cb 1.33 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 2djx h ALA 117 CO 0.15 -0.04 0.14 1.96 0.00 0.00 0.00 179.25 181.46 2djx h GLN 118 N 0.55 0.30 0.08 0.00 4.20 -0.97 -0.95 115.11 118.32 2djx h GLN 118 Ca 0.21 -0.02 -0.29 0.00 0.06 0.00 0.00 58.65 58.61 2djx h GLN 118 Cb 0.07 -0.07 0.03 0.00 0.30 0.00 0.00 27.48 27.81 2djx h GLN 118 CO -0.12 0.20 -1.17 1.49 -0.67 0.00 0.00 178.83 178.56 2djx h GLU 119 N 0.31 0.65 0.00 1.46 4.57 -1.09 -3.40 114.58 117.08 2djx h GLU 119 Ca 0.16 -0.81 -0.06 0.00 -1.18 0.00 0.00 59.36 57.47 2djx h GLU 119 Cb 0.11 0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 2djx h GLU 119 CO -0.14 1.36 -1.59 1.63 -1.18 0.00 0.00 179.01 179.09 2djx n LYS 120 N -3.82 0.91 -0.75 1.92 4.76 0.27 -5.03 118.16 116.41 2djx n LYS 120 Ca -0.13 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 2djx n LYS 120 Cb 0.95 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.86 2djx n LYS 120 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2djx n GLY 121 N 1.99 0.60 3.76 0.72 0.00 -0.36 -5.04 105.19 106.86 2djx n GLY 121 Ca -0.07 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 2djx n GLY 121 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2djx n VAL 122 N -2.75 2.31 -4.19 1.61 3.14 -1.26 -4.85 118.33 112.34 2djx n VAL 122 Ca 0.00 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.54 2djx n VAL 122 Cb 0.00 -1.86 -0.12 0.00 -1.06 0.00 0.00 33.84 30.80 2djx n VAL 122 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2djx s LEU 123 N -2.13 3.31 -0.02 6.55 1.43 -0.71 -4.65 118.68 122.46 2djx s LEU 123 Ca 0.57 -0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 53.22 2djx s LEU 123 Cb -0.48 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 2djx s LEU 123 CO 0.61 0.12 1.01 -0.22 0.23 0.00 0.00 176.35 178.10 2djx s LEU 124 N 0.69 4.34 -0.31 1.79 2.96 -1.26 -0.72 118.68 126.17 2djx s LEU 124 Ca -0.01 1.67 -0.04 0.00 -0.22 0.00 0.00 54.13 55.54 2djx s LEU 124 Cb -0.14 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 43.02 2djx s LEU 124 CO 0.02 -0.32 0.04 -0.70 -1.32 0.00 0.00 176.35 174.07 2djx s GLU 125 N 1.24 2.60 -0.28 1.98 2.12 -0.56 -1.36 118.70 124.43 2djx s GLU 125 Ca 0.52 -1.17 -0.22 0.00 0.36 0.00 0.00 54.97 54.47 2djx s GLU 125 Cb -0.21 -3.29 -0.01 0.00 0.26 0.00 0.00 34.13 30.87 2djx s GLU 125 CO 0.26 -0.60 0.69 -1.17 -0.54 0.00 0.00 175.26 173.90 2djx s LEU 126 N 1.34 4.10 -0.51 2.70 2.96 -0.01 -2.17 118.68 127.09 2djx s LEU 126 Ca -0.03 0.64 -0.25 0.00 -0.22 0.00 0.00 54.13 54.28 2djx s LEU 126 Cb -0.19 -2.93 0.03 0.00 0.50 0.00 0.00 46.19 43.60 2djx s LEU 126 CO 0.01 -0.48 0.93 0.21 -1.32 0.00 0.00 176.35 175.69 2djx s ASN 127 N 1.55 6.40 -0.29 3.68 3.84 -0.37 -1.15 114.94 128.60 2djx s ASN 127 Ca 0.28 -0.16 0.10 0.00 0.21 0.00 0.00 52.86 53.30 2djx s ASN 127 Cb -0.15 -2.44 0.57 0.00 -0.55 0.00 0.00 41.25 38.68 2djx s ASN 127 CO 0.10 -1.15 1.57 0.18 -2.79 0.00 0.00 177.10 175.02 2djx n LEU 128 N 7.32 4.72 -0.34 3.21 4.77 -1.01 -4.70 117.00 130.96 2djx n LEU 128 Ca 0.03 -3.49 0.00 0.00 -0.03 0.00 0.00 56.01 52.52 2djx n LEU 128 Cb 0.48 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2djx n LEU 128 CO 0.64 1.02 0.22 -1.54 -1.33 0.00 0.00 177.39 176.40 2djx n SER 129 N -0.85 0.00 -4.67 -1.43 3.41 -1.25 -1.66 113.62 107.18 2djx n SER 129 Ca 0.35 -1.46 -0.42 0.00 -0.26 0.00 0.00 58.87 57.09 2djx n SER 129 Cb 1.14 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.97 2djx n SER 129 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2djx n PRO 131 N 6.75 3.21 0.00 0.00 -0.04 -1.26 -4.18 135.00 139.48 2djx n PRO 131 Ca 0.18 -2.74 0.02 0.00 -0.04 0.00 0.00 63.50 60.92 2djx n PRO 131 Cb 0.41 -1.71 -0.00 0.00 -0.04 0.00 0.00 33.50 32.16 2djx n PRO 131 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2djx n ASN 132 N 1.30 0.61 -4.63 3.54 3.02 -1.26 -4.76 115.26 113.08 2djx n ASN 132 Ca 0.24 -0.81 -0.41 0.00 -0.03 0.00 0.00 54.58 53.58 2djx n ASN 132 Cb 0.74 0.59 -0.05 0.00 -0.61 0.00 0.00 39.78 40.45 2djx n ASN 132 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2djx s VAL 133 N -0.88 4.90 0.13 2.41 1.01 -1.26 -4.55 120.40 122.17 2djx s VAL 133 Ca 0.02 1.29 -0.35 0.00 0.00 0.00 0.00 61.98 62.95 2djx s VAL 133 Cb 0.03 -4.03 -0.15 0.00 0.00 0.00 0.00 36.38 32.23 2djx s VAL 133 CO 0.09 -0.05 1.51 -2.65 0.00 0.00 0.00 175.10 174.00 2djx n PRO 134 N 5.89 1.85 -0.99 2.72 -0.02 -1.26 -1.87 135.00 141.32 2djx n PRO 134 Ca 0.02 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2djx n PRO 134 Cb 0.48 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 2djx n PRO 134 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2djx n GLY 135 N 3.17 0.69 2.88 -1.23 0.00 -1.26 -5.00 105.19 104.45 2djx n GLY 135 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2djx n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2djx s LYS 136 N -0.06 1.53 0.66 1.61 -0.14 -0.78 -5.12 119.74 117.44 2djx s LYS 136 Ca 0.00 -2.10 -0.15 0.00 -1.36 0.00 0.00 55.97 52.35 2djx s LYS 136 Cb 0.00 -2.90 -0.00 0.00 -1.68 0.00 0.00 37.83 33.25 2djx s LYS 136 CO 0.00 -1.06 1.13 -1.25 -0.76 0.00 0.00 175.35 173.40 2djx s PRO 137 N 0.39 2.76 -0.27 -1.68 0.04 -1.26 -4.58 135.00 130.40 2djx s PRO 137 Ca 0.15 1.47 -0.39 0.00 0.04 0.00 0.00 61.00 62.26 2djx s PRO 137 Cb -0.23 -1.94 -0.15 0.00 0.04 0.00 0.00 34.50 32.23 2djx s PRO 137 CO -0.05 -1.30 1.82 1.04 0.04 0.00 0.00 177.00 178.56 2djx n GLN 138 N -2.35 1.25 -0.24 4.56 3.00 -1.26 -4.87 117.38 117.47 2djx n GLN 138 Ca 0.11 0.45 0.01 0.00 -0.01 0.00 0.00 57.00 57.55 2djx n GLN 138 Cb 0.52 -2.20 0.13 0.00 0.00 0.00 0.00 30.24 28.69 2djx n GLN 138 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2djx h VAL 139 N 5.51 0.86 -0.04 5.09 2.07 -1.84 -2.26 116.25 125.65 2djx h VAL 139 Ca -0.44 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2djx h VAL 139 Cb 1.32 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2djx h VAL 139 CO 0.97 0.11 0.00 0.00 0.02 0.00 0.00 177.57 178.67 2djx n ALA 140 N -2.41 2.57 1.48 1.67 0.00 -0.66 -1.59 120.51 121.58 2djx n ALA 140 Ca 0.10 -0.17 0.14 0.00 0.00 0.00 0.00 53.44 53.52 2djx n ALA 140 Cb 0.26 -1.20 0.54 0.00 0.00 0.00 0.00 19.45 19.04 2djx n ALA 140 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2djx n TYR 141 N -0.54 0.00 -3.99 0.00 4.01 -0.85 -4.64 117.16 111.15 2djx n TYR 141 Ca 0.11 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.54 2djx n TYR 141 Cb 0.09 -0.04 -0.15 0.00 -0.31 0.00 0.00 39.34 38.93 2djx n TYR 141 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2djx s ASP 142 N -2.15 4.55 0.39 7.72 -1.08 -0.62 -5.02 116.67 120.46 2djx s ASP 142 Ca 0.35 -1.87 0.14 0.00 -0.52 0.00 0.00 52.55 50.66 2djx s ASP 142 Cb 0.21 -1.50 0.79 0.00 -1.46 0.00 0.00 42.92 40.96 2djx s ASP 142 CO 0.39 -0.33 1.85 -0.26 0.52 0.00 0.00 175.17 177.34 2djx h PHE 143 N 7.72 0.00 -0.23 -5.34 0.04 -1.82 -1.15 116.94 116.15 2djx h PHE 143 Ca -0.09 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.47 2djx h PHE 143 Cb 1.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.18 2djx h PHE 143 CO 0.49 0.34 -0.65 1.49 -0.60 0.00 0.00 178.31 179.38 2djx h GLU 144 N 0.00 0.85 -0.47 1.51 4.57 -1.95 -2.20 114.58 116.88 2djx h GLU 144 Ca -0.00 -0.60 -0.01 0.00 -1.18 0.00 0.00 59.36 57.57 2djx h GLU 144 Cb 0.63 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.30 2djx h GLU 144 CO 0.04 1.22 0.27 0.00 -1.18 0.00 0.00 179.01 179.37 2djx h ALA 145 N 0.63 0.61 -0.45 2.92 0.00 -1.80 -2.24 119.26 118.93 2djx h ALA 145 Ca -0.02 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.89 2djx h ALA 145 Cb 1.27 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 2djx h ALA 145 CO 0.14 0.11 0.12 1.98 0.00 0.00 0.00 179.25 181.60 2djx h MET 146 N 0.63 0.25 -0.68 0.00 1.85 -1.20 -0.77 114.93 115.01 2djx h MET 146 Ca 0.17 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.23 2djx h MET 146 Cb 0.02 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 31.96 2djx h MET 146 CO -0.03 0.17 0.39 -0.09 -0.40 0.00 0.00 176.91 176.95 2djx h ARG 147 N 0.26 0.94 -0.27 0.39 2.43 -1.26 -2.29 114.38 114.58 2djx h ARG 147 Ca 0.22 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2djx h ARG 147 Cb 0.25 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2djx h ARG 147 CO -0.26 0.70 0.09 1.15 -1.51 0.00 0.00 179.97 180.14 2djx h THR 148 N 0.93 1.19 -0.61 0.20 2.02 -0.87 -1.32 112.91 114.45 2djx h THR 148 Ca 0.24 -0.59 0.07 0.00 0.77 0.00 0.00 66.41 66.90 2djx h THR 148 Cb 0.02 1.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 2djx h THR 148 CO -0.04 0.20 0.29 1.88 0.37 0.00 0.00 175.52 178.21 2djx h TYR 149 N 0.28 0.52 -0.19 3.16 -1.99 -1.05 -1.95 116.97 115.75 2djx h TYR 149 Ca 0.09 0.03 -0.17 0.00 2.00 0.00 0.00 58.73 60.67 2djx h TYR 149 Cb 0.22 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 38.80 2djx h TYR 149 CO 0.00 0.20 -0.58 -0.07 -0.00 0.00 0.00 178.16 177.71 2djx h LEU 150 N 0.52 0.70 0.16 3.88 3.38 -1.19 -0.81 115.31 121.95 2djx h LEU 150 Ca 0.29 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2djx h LEU 150 Cb 0.27 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2djx h LEU 150 CO -0.23 1.13 -0.11 1.56 0.09 0.00 0.00 178.44 180.88 2djx h GLN 151 N 0.47 -0.26 -0.28 1.13 4.20 -1.14 -1.44 115.11 117.80 2djx h GLN 151 Ca 0.00 0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 2djx h GLN 151 Cb 1.15 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 2djx h GLN 151 CO 0.11 -0.17 -0.15 1.96 -0.67 0.00 0.00 178.83 179.91 2djx h GLN 152 N -0.27 0.59 -0.47 1.46 1.08 -1.29 -2.44 115.11 113.77 2djx h GLN 152 Ca -0.01 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 56.91 2djx h GLN 152 Cb 0.23 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2djx h GLN 152 CO 0.01 0.84 0.24 0.28 -0.95 0.00 0.00 178.83 179.25 2djx h VAL 153 N 0.33 1.18 -0.56 -0.54 2.07 -1.22 -2.16 116.25 115.35 2djx h VAL 153 Ca 0.06 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.14 2djx h VAL 153 Cb 0.67 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 2djx h VAL 153 CO 0.04 0.20 0.28 0.28 0.02 0.00 0.00 177.57 178.38 2djx h SER 154 N 0.62 0.38 -0.40 0.57 0.02 -1.18 -1.01 113.55 112.55 2djx h SER 154 Ca 0.16 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 2djx h SER 154 Cb 0.09 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2djx h SER 154 CO -0.02 0.26 -0.08 0.25 -1.14 0.00 0.00 176.83 176.09 2djx h LEU 155 N 0.52 0.76 -0.48 5.07 5.85 -1.37 -1.57 115.31 124.09 2djx h LEU 155 Ca 0.25 -0.35 -0.15 0.00 0.84 0.00 0.00 57.88 58.47 2djx h LEU 155 Cb 0.19 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2djx h LEU 155 CO -0.19 0.94 -0.73 0.00 -0.34 0.00 0.00 178.44 178.12 2djx h ALA 156 N 0.85 0.75 0.00 1.25 0.00 -1.21 -3.37 119.26 117.53 2djx h ALA 156 Ca 0.10 -0.66 -0.30 0.00 0.00 0.00 0.00 54.91 54.06 2djx h ALA 156 Cb 0.60 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2djx h ALA 156 CO 0.04 0.91 -1.70 0.98 0.00 0.00 0.00 179.25 179.48 2djx n TYR 157 N -3.60 0.57 -1.13 0.00 9.36 -0.40 -4.48 117.16 117.48 2djx n TYR 157 Ca -0.01 0.25 -0.05 0.00 3.32 0.00 0.00 57.90 61.42 2djx n TYR 157 Cb 0.72 -1.01 -0.02 0.00 -0.63 0.00 0.00 39.34 38.41 2djx n TYR 157 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2djx n GLY 158 N 1.38 0.65 3.25 2.98 0.00 -0.59 -4.89 105.19 107.97 2djx n GLY 158 Ca -0.38 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 2djx n GLY 158 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2djx s LEU 159 N -1.03 2.46 0.47 0.99 1.43 -1.26 -5.13 118.68 116.61 2djx s LEU 159 Ca 0.00 -1.05 -0.25 0.00 -1.03 0.00 0.00 54.13 51.80 2djx s LEU 159 Cb 0.00 -0.30 -0.08 0.00 0.03 0.00 0.00 46.19 45.84 2djx s LEU 159 CO 0.00 -0.38 1.42 -2.16 0.23 0.00 0.00 176.35 175.46 2djx s PRO 160 N -3.78 3.59 0.35 1.29 0.04 -1.26 -4.91 135.00 130.32 2djx s PRO 160 Ca 0.18 2.40 -0.08 0.00 0.04 0.00 0.00 61.00 63.54 2djx s PRO 160 Cb 0.03 -2.59 0.02 0.00 0.04 0.00 0.00 34.50 32.00 2djx s PRO 160 CO 0.01 -0.88 0.58 -0.59 0.04 0.00 0.00 177.00 176.16 2djx s PHE 161 N -1.21 0.65 0.30 0.56 -0.12 -0.19 -4.60 117.98 113.37 2djx s PHE 161 Ca 0.63 -1.04 0.04 0.00 -0.05 0.00 0.00 56.93 56.50 2djx s PHE 161 Cb -0.43 0.27 -0.06 0.00 -0.63 0.00 0.00 43.02 42.16 2djx s PHE 161 CO 0.55 -1.27 0.05 0.20 -0.05 0.00 0.00 175.22 174.70 2djx s GLY 162 N -3.15 1.94 -0.07 1.99 0.00 -0.47 -0.43 107.32 107.14 2djx s GLY 162 Ca 0.24 -1.99 0.02 0.00 0.00 0.00 0.00 44.72 42.99 2djx s GLY 162 CO 0.16 -1.77 -0.10 0.14 0.00 0.00 0.00 173.10 171.53 2djx s VAL 163 N -3.35 1.02 -0.33 1.40 1.01 -0.83 -0.83 120.40 118.47 2djx s VAL 163 Ca 0.35 -0.39 -0.23 0.00 0.00 0.00 0.00 61.98 61.71 2djx s VAL 163 Cb 0.08 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.51 2djx s VAL 163 CO 0.14 0.33 0.75 -0.75 0.00 0.00 0.00 175.10 175.57 2djx s LYS 164 N 0.84 3.84 0.06 2.72 2.47 -0.30 -0.56 119.74 128.80 2djx s LYS 164 Ca -0.12 0.37 0.00 0.00 -1.56 0.00 0.00 55.97 54.67 2djx s LYS 164 Cb -0.15 -3.77 -0.04 0.00 -1.46 0.00 0.00 37.83 32.41 2djx s LYS 164 CO 0.02 -0.74 0.19 -1.64 0.16 0.00 0.00 175.35 173.34 2djx s MET 165 N 2.93 3.36 0.59 4.03 -1.94 -0.25 -2.41 119.30 125.62 2djx s MET 165 Ca 0.30 -0.48 -0.11 0.00 -1.71 0.00 0.00 55.69 53.69 2djx s MET 165 Cb -0.14 -3.00 -0.05 0.00 2.01 0.00 0.00 34.83 33.66 2djx s MET 165 CO 0.14 0.60 1.00 -1.25 -0.01 0.00 0.00 175.02 175.50 2djx s PRO 166 N -2.51 3.65 0.30 2.03 0.04 -1.26 -1.18 135.00 136.07 2djx s PRO 166 Ca 0.34 0.73 -0.29 0.00 0.04 0.00 0.00 61.00 61.82 2djx s PRO 166 Cb -0.13 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 2djx s PRO 166 CO 0.27 -0.49 1.22 -1.25 0.04 0.00 0.00 177.00 176.80 2djx s PRO 167 N -4.96 4.47 0.28 0.56 0.04 -1.26 -4.84 135.00 129.30 2djx s PRO 167 Ca 0.55 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.71 2djx s PRO 167 Cb -0.11 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 2djx s PRO 167 CO 0.49 -0.03 0.12 0.71 0.04 0.00 0.00 177.00 178.33 2djx s TYR 168 N -1.07 2.86 -0.01 0.56 2.02 -1.26 -5.03 117.35 115.40 2djx s TYR 168 Ca 0.48 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.97 2djx s TYR 168 Cb -0.36 -1.41 0.03 0.00 -0.40 0.00 0.00 41.96 39.82 2djx s TYR 168 CO 0.47 0.49 0.81 1.19 -1.57 0.00 0.00 175.55 176.95 2djx n PHE 169 N -1.09 0.00 -3.70 2.71 3.01 -1.26 -4.88 117.46 112.25 2djx n PHE 169 Ca -0.06 -0.18 -0.12 0.00 1.01 0.00 0.00 57.45 58.10 2djx n PHE 169 Cb 0.59 -0.04 -0.13 0.00 -0.01 0.00 0.00 39.48 39.89 2djx n PHE 169 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2djx s ASP 170 N -0.81 -0.07 0.23 4.37 -1.08 -1.26 -5.06 116.67 112.98 2djx s ASP 170 Ca 0.04 0.63 -0.07 0.00 -0.52 0.00 0.00 52.55 52.62 2djx s ASP 170 Cb 0.03 0.62 0.27 0.00 -1.46 0.00 0.00 42.92 42.38 2djx s ASP 170 CO 0.00 -0.20 1.85 0.40 0.52 0.00 0.00 175.17 177.75 2djx h ILE 171 N 6.00 1.07 -0.56 4.11 1.08 -2.00 -1.77 117.51 125.45 2djx h ILE 171 Ca -0.29 -0.32 -0.01 0.00 -0.39 0.00 0.00 64.86 63.85 2djx h ILE 171 Cb 1.14 0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 2djx h ILE 171 CO 0.26 0.17 0.31 0.00 -0.69 0.00 0.00 178.15 178.20 2djx h ALA 172 N 1.36 1.49 -0.46 1.87 0.00 -1.99 -1.45 119.26 120.07 2djx h ALA 172 Ca 0.33 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 2djx h ALA 172 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2djx h ALA 172 CO -0.14 0.43 -0.13 0.45 0.00 0.00 0.00 179.25 179.86 2djx h HIS 173 N 0.77 1.03 -0.47 0.00 3.86 -1.78 -1.71 115.15 116.86 2djx h HIS 173 Ca 0.20 -0.23 0.05 0.00 -1.16 0.00 0.00 60.37 59.23 2djx h HIS 173 Cb 0.02 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.20 2djx h HIS 173 CO 0.00 1.00 0.20 0.74 0.86 0.00 0.00 177.93 180.74 2djx h PHE 174 N 0.75 0.35 -0.12 2.45 0.04 -1.03 -1.10 116.94 118.29 2djx h PHE 174 Ca 0.12 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2djx h PHE 174 Cb 0.68 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 2djx h PHE 174 CO 0.05 0.15 0.08 -0.44 -0.60 0.00 0.00 178.31 177.55 2djx h ASP 175 N 0.39 0.14 -0.19 2.17 3.32 -1.10 -2.16 116.42 119.00 2djx h ASP 175 Ca 0.21 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 2djx h ASP 175 Cb 0.18 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2djx h ASP 175 CO -0.19 0.11 -0.04 0.74 -1.72 0.00 0.00 179.24 178.14 2djx h THR 176 N 0.15 1.28 -0.58 0.35 2.02 -1.20 -2.43 112.91 112.49 2djx h THR 176 Ca 0.04 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.19 2djx h THR 176 Cb -0.00 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 2djx h THR 176 CO -0.01 0.30 0.26 0.00 0.37 0.00 0.00 175.52 176.44 2djx h ALA 177 N 0.73 0.76 -0.34 6.16 0.00 -1.19 -1.76 119.26 123.62 2djx h ALA 177 Ca 0.05 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 2djx h ALA 177 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2djx h ALA 177 CO 0.02 0.34 -0.27 0.00 0.00 0.00 0.00 179.25 179.34 2djx h ALA 178 N 1.10 0.90 -0.71 0.00 0.00 -1.42 -2.07 119.26 117.06 2djx h ALA 178 Ca 0.20 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2djx h ALA 178 Cb 0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2djx h ALA 178 CO -0.02 0.62 0.33 0.00 0.00 0.00 0.00 179.25 180.18 2djx h ALA 179 N 1.11 0.92 -0.00 0.00 0.00 -1.17 -1.22 119.26 118.89 2djx h ALA 179 Ca 0.08 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2djx h ALA 179 Cb 0.77 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2djx h ALA 179 CO 0.06 0.50 -0.10 0.28 0.00 0.00 0.00 179.25 179.99 2djx h VAL 180 N 1.00 0.74 -0.97 0.00 2.07 -1.15 -2.97 116.25 114.96 2djx h VAL 180 Ca 0.24 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.83 2djx h VAL 180 Cb 0.15 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 2djx h VAL 180 CO -0.03 0.00 0.63 -0.07 0.02 0.00 0.00 177.57 178.12 2djx h LEU 181 N -0.18 0.99 -0.00 2.57 3.38 -1.13 -1.94 115.31 119.01 2djx h LEU 181 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2djx h LEU 181 Cb 0.23 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2djx h LEU 181 CO -0.11 0.63 0.00 0.59 0.09 0.00 0.00 178.44 179.64 2djx n ASN 182 N -4.50 0.00 0.05 -0.43 3.02 -0.48 -2.08 115.26 110.84 2djx n ASN 182 Ca 0.15 0.50 0.11 0.00 -0.03 0.00 0.00 54.58 55.31 2djx n ASN 182 Cb 0.20 -0.50 0.45 0.00 -0.61 0.00 0.00 39.78 39.32 2djx n ASN 182 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2djx n GLU 183 N -1.50 0.10 -3.97 3.52 1.02 -0.73 -4.70 120.64 114.38 2djx n GLU 183 Ca 0.04 0.23 -0.31 0.00 -0.02 0.00 0.00 57.16 57.09 2djx n GLU 183 Cb 0.18 -1.65 -0.15 0.00 -0.02 0.00 0.00 31.44 29.79 2djx n GLU 183 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2djx s PHE 184 N -3.10 3.38 0.49 -0.32 0.08 -0.88 -4.99 117.98 112.63 2djx s PHE 184 Ca 0.09 -2.76 0.29 0.00 0.12 0.00 0.00 56.93 54.67 2djx s PHE 184 Cb 0.12 -2.69 1.64 0.00 -0.57 0.00 0.00 43.02 41.52 2djx s PHE 184 CO 0.43 -0.94 2.15 -1.00 -0.10 0.00 0.00 175.22 175.77 2djx h PRO 185 N 7.70 0.00 0.00 0.24 0.13 -1.85 -2.60 132.00 135.63 2djx h PRO 185 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2djx h PRO 185 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2djx h PRO 185 CO 0.51 0.07 0.00 -0.07 -0.23 0.00 0.00 178.00 178.28 2djx h LEU 186 N 0.00 0.00 -8.47 1.56 3.38 -1.94 -3.41 115.31 106.43 2djx h LEU 186 Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2djx h LEU 186 Cb 0.20 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 2djx h LEU 186 CO 0.01 0.00 1.06 -0.69 0.09 0.00 0.00 178.44 178.90 2djx s VAL 187 N -3.42 3.80 -0.07 1.22 1.01 -0.98 -1.02 120.40 120.95 2djx s VAL 187 Ca 0.04 0.59 0.22 0.00 0.00 0.00 0.00 61.98 62.83 2djx s VAL 187 Cb 0.08 -4.74 -0.29 0.00 0.00 0.00 0.00 36.38 31.44 2djx s VAL 187 CO 0.56 -1.55 0.55 0.29 0.00 0.00 0.00 175.10 174.94 2djx n LYS 188 N 8.97 0.65 -3.92 2.72 4.76 0.43 -4.91 118.16 126.86 2djx n LYS 188 Ca 0.07 -0.14 -0.10 0.00 -2.87 0.00 0.00 58.31 55.27 2djx n LYS 188 Cb 0.49 -1.57 -0.10 0.00 -1.84 0.00 0.00 35.03 32.01 2djx n LYS 188 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 2djx s PHE 189 N -3.46 0.15 -0.13 2.13 -0.71 -1.23 -1.65 117.98 113.09 2djx s PHE 189 Ca -0.07 -0.34 -0.00 0.00 -1.04 0.00 0.00 56.93 55.48 2djx s PHE 189 Cb 0.13 -0.12 0.02 0.00 -1.21 0.00 0.00 43.02 41.84 2djx s PHE 189 CO 0.89 -0.25 -0.10 0.08 -1.34 0.00 0.00 175.22 174.49 2djx s VAL 190 N -1.52 1.26 -0.33 -2.49 1.01 -0.23 -1.97 120.40 116.13 2djx s VAL 190 Ca -0.14 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 2djx s VAL 190 Cb -0.08 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 2djx s VAL 190 CO -0.00 0.41 0.29 -0.89 0.00 0.00 0.00 175.10 174.91 2djx s THR 191 N 1.60 5.24 -0.21 3.92 2.01 0.27 -1.04 115.64 127.43 2djx s THR 191 Ca 0.05 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.03 2djx s THR 191 Cb -0.13 -3.74 0.03 0.00 0.01 0.00 0.00 72.50 68.68 2djx s THR 191 CO -0.09 -0.01 -0.16 0.00 -0.69 0.00 0.00 174.62 173.67 2djx s VAL 193 N 1.23 0.24 1.17 0.00 -7.23 -0.11 -0.74 120.40 114.96 2djx s VAL 193 Ca -0.00 -1.80 -0.18 0.00 -1.81 0.00 0.00 61.98 58.19 2djx s VAL 193 Cb -0.16 -1.51 0.27 0.00 0.56 0.00 0.00 36.38 35.54 2djx s VAL 193 CO -0.10 -0.99 1.09 0.21 -0.31 0.00 0.00 175.10 175.00 2djx s ASN 194 N -2.91 1.16 0.61 4.85 3.84 -0.32 -4.56 114.94 117.62 2djx s ASN 194 Ca 0.07 0.82 -0.18 0.00 0.21 0.00 0.00 52.86 53.77 2djx s ASN 194 Cb 0.08 -1.20 -0.04 0.00 -0.55 0.00 0.00 41.25 39.54 2djx s ASN 194 CO -0.10 -3.99 1.05 -1.20 -2.79 0.00 0.00 177.10 170.07 2djx n SER 195 N -4.70 1.11 -4.60 -4.21 7.64 -1.26 -4.44 113.62 103.15 2djx n SER 195 Ca 0.11 0.81 -0.43 0.00 1.01 0.00 0.00 58.87 60.37 2djx n SER 195 Cb 0.59 -1.43 -0.02 0.00 -1.01 0.00 0.00 64.21 62.33 2djx n SER 195 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2djx s VAL 196 N -1.48 3.89 0.49 0.44 1.01 -0.66 -4.65 120.40 119.45 2djx s VAL 196 Ca 0.77 0.93 -0.22 0.00 0.00 0.00 0.00 61.98 63.47 2djx s VAL 196 Cb -0.41 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 2djx s VAL 196 CO 0.45 -0.69 1.13 -0.83 0.00 0.00 0.00 175.10 175.17 2djx s GLY 197 N 3.95 2.70 -1.37 4.51 0.00 -1.26 -0.98 107.32 114.87 2djx s GLY 197 Ca 0.62 0.84 -0.05 0.00 0.00 0.00 0.00 44.72 46.13 2djx s GLY 197 CO 0.31 1.25 0.88 0.70 0.00 0.00 0.00 173.10 176.25 2djx n ASN 198 N -0.79 -3.03 -4.53 1.64 3.02 -1.12 -4.89 115.26 105.56 2djx n ASN 198 Ca 0.09 -0.75 -0.29 0.00 -0.03 0.00 0.00 54.58 53.60 2djx n ASN 198 Cb 0.50 -4.26 0.14 0.00 -0.61 0.00 0.00 39.78 35.55 2djx n ASN 198 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2djx s GLY 199 N -3.91 1.67 -0.13 7.41 0.00 -0.04 -4.70 107.32 107.62 2djx s GLY 199 Ca 0.28 -0.89 -0.04 0.00 0.00 0.00 0.00 44.72 44.07 2djx s GLY 199 CO 0.80 -0.27 0.17 -2.27 0.00 0.00 0.00 173.10 171.53 2djx s LEU 200 N -5.78 -0.02 -0.17 0.66 2.96 -1.26 -1.48 118.68 113.59 2djx s LEU 200 Ca 0.68 0.04 -0.08 0.00 -0.22 0.00 0.00 54.13 54.55 2djx s LEU 200 Cb -0.08 0.23 -0.04 0.00 0.50 0.00 0.00 46.19 46.80 2djx s LEU 200 CO 0.51 -0.28 0.09 -0.69 -1.32 0.00 0.00 176.35 174.66 2djx s VAL 201 N 2.28 5.05 -0.04 1.68 1.01 -1.26 -5.10 120.40 124.01 2djx s VAL 201 Ca 0.04 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.12 2djx s VAL 201 Cb -0.14 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 2djx s VAL 201 CO -0.08 0.50 -0.19 -0.63 0.00 0.00 0.00 175.10 174.70 2djx s ILE 202 N -0.02 1.59 -0.28 2.22 1.01 -1.26 -3.02 121.20 121.43 2djx s ILE 202 Ca 0.08 -0.81 -0.23 0.00 0.00 0.00 0.00 60.65 59.69 2djx s ILE 202 Cb -0.12 -1.35 -0.00 0.00 0.01 0.00 0.00 42.46 40.99 2djx s ILE 202 CO 0.00 0.45 0.77 -0.62 0.00 0.00 0.00 174.94 175.54 2djx s ASP 203 N -0.05 6.69 0.24 3.58 -1.08 -0.45 -4.98 116.67 120.62 2djx s ASP 203 Ca -0.03 0.77 -0.07 0.00 -0.52 0.00 0.00 52.55 52.70 2djx s ASP 203 Cb -0.12 -2.40 0.24 0.00 -1.46 0.00 0.00 42.92 39.18 2djx s ASP 203 CO 0.02 -0.54 1.92 0.00 0.52 0.00 0.00 175.17 177.09 2djx h ALA 204 N 7.96 1.20 0.04 3.66 0.00 -1.97 0.84 119.26 131.00 2djx h ALA 204 Ca -0.24 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2djx h ALA 204 Cb 1.10 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2djx h ALA 204 CO 0.86 0.59 -0.02 1.49 0.00 0.00 0.00 179.25 182.17 2djx h GLU 205 N 1.28 -0.06 0.00 0.00 4.22 -1.97 -3.23 114.58 114.82 2djx h GLU 205 Ca 0.35 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.79 2djx h GLU 205 Cb -0.15 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.12 2djx h GLU 205 CO -0.08 0.24 -0.36 -1.13 -2.18 0.00 0.00 179.01 175.50 2djx n SER 206 N -4.98 0.68 -2.00 1.04 3.41 -1.22 -4.95 113.62 105.60 2djx n SER 206 Ca -0.08 0.28 -0.18 0.00 -0.26 0.00 0.00 58.87 58.62 2djx n SER 206 Cb 0.18 -0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 63.90 2djx n SER 206 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2djx n GLU 207 N -2.08 -1.45 -4.35 4.33 1.02 0.28 -4.99 120.64 113.40 2djx n GLU 207 Ca 0.04 0.94 -0.23 0.00 -0.02 0.00 0.00 57.16 57.89 2djx n GLU 207 Cb 0.42 -5.43 -0.13 0.00 -0.02 0.00 0.00 31.44 26.29 2djx n GLU 207 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2djx s SER 208 N -2.26 2.32 0.86 1.62 0.15 -1.20 -4.94 113.70 110.25 2djx s SER 208 Ca 0.00 -0.62 -0.11 0.00 0.70 0.00 0.00 55.95 55.92 2djx s SER 208 Cb 0.00 -0.14 0.12 0.00 -1.71 0.00 0.00 66.02 64.29 2djx s SER 208 CO 0.00 0.06 1.16 0.68 1.20 0.00 0.00 173.24 176.34 2djx s VAL 209 N -1.07 2.15 -0.62 4.45 -7.23 -1.26 -1.34 120.40 115.49 2djx s VAL 209 Ca 0.05 0.06 0.19 0.00 -1.81 0.00 0.00 61.98 60.47 2djx s VAL 209 Cb -0.10 -2.25 -0.24 0.00 0.56 0.00 0.00 36.38 34.35 2djx s VAL 209 CO 0.03 -0.06 0.69 1.33 -0.31 0.00 0.00 175.10 176.79 2djx n VAL 210 N -3.82 0.00 -4.37 1.32 0.24 -1.17 -4.83 118.33 105.70 2djx n VAL 210 Ca 0.12 -0.18 -0.28 0.00 -2.04 0.00 0.00 64.34 61.96 2djx n VAL 210 Cb 0.52 0.68 -0.13 0.00 -1.47 0.00 0.00 33.84 33.44 2djx n VAL 210 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2djx s ILE 211 N -3.01 2.17 -0.06 1.34 -4.36 -1.26 -4.88 121.20 111.14 2djx s ILE 211 Ca 0.02 -1.75 -0.24 0.00 -0.26 0.00 0.00 60.65 58.43 2djx s ILE 211 Cb 0.14 -1.93 -0.27 0.00 1.25 0.00 0.00 42.46 41.64 2djx s ILE 211 CO 0.80 0.04 0.93 0.50 0.24 0.00 0.00 174.94 177.46 2djx h LYS 212 N 3.84 0.21 -7.18 0.37 3.64 -1.31 -3.28 116.57 112.86 2djx h LYS 212 Ca -0.50 -0.30 -0.53 0.00 -1.27 0.00 0.00 60.65 58.05 2djx h LYS 212 Cb 1.18 0.10 0.15 0.00 -0.41 0.00 0.00 32.23 33.24 2djx h LYS 212 CO 0.40 1.08 0.39 -2.14 -2.27 0.00 0.00 179.45 176.91 2djx s PRO 213 N -2.68 2.27 -1.44 1.90 0.02 -1.26 -3.86 135.00 129.96 2djx s PRO 213 Ca -0.15 1.69 -0.09 0.00 0.02 0.00 0.00 61.00 62.46 2djx s PRO 213 Cb 0.00 -1.86 0.05 0.00 0.02 0.00 0.00 34.50 32.72 2djx s PRO 213 CO 0.77 -1.72 0.69 1.63 -0.33 0.00 0.00 177.00 178.05 2djx n LYS 214 N -2.65 -4.64 -2.40 5.54 5.02 -1.26 -1.28 118.16 116.50 2djx n LYS 214 Ca 0.13 0.65 -0.16 0.00 -2.02 0.00 0.00 58.31 56.91 2djx n LYS 214 Cb 0.51 -5.48 -0.01 0.00 -0.02 0.00 0.00 35.03 30.03 2djx n LYS 214 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2djx n GLN 215 N -4.14 -1.97 -0.11 1.97 6.02 -1.25 -2.21 117.38 115.69 2djx n GLN 215 Ca -0.03 0.79 0.00 0.00 -0.01 0.00 0.00 57.00 57.75 2djx n GLN 215 Cb 0.56 -5.41 0.00 0.00 1.02 0.00 0.00 30.24 26.41 2djx n GLN 215 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2djx n GLY 216 N -0.88 0.61 3.70 1.08 0.00 -0.40 -4.98 105.19 104.31 2djx n GLY 216 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2djx n GLY 216 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2djx s PHE 217 N -2.31 3.58 0.24 1.61 0.40 -0.94 -4.49 117.98 116.07 2djx s PHE 217 Ca 0.00 1.61 -0.17 0.00 -0.60 0.00 0.00 56.93 57.76 2djx s PHE 217 Cb 0.00 -3.13 0.02 0.00 0.51 0.00 0.00 43.02 40.42 2djx s PHE 217 CO 0.00 -0.12 0.58 0.20 0.70 0.00 0.00 175.22 176.58 2djx s GLY 218 N 1.05 0.08 0.23 4.36 0.00 -0.55 -4.74 107.32 107.75 2djx s GLY 218 Ca 0.49 -0.42 -0.30 0.00 0.00 0.00 0.00 44.72 44.49 2djx s GLY 218 CO 0.22 -0.30 1.04 -0.32 0.00 0.00 0.00 173.10 173.75 2djx s GLY 219 N -2.93 3.03 -0.13 0.20 0.00 0.07 -0.86 107.32 106.70 2djx s GLY 219 Ca 0.13 0.78 -0.08 0.00 0.00 0.00 0.00 44.72 45.55 2djx s GLY 219 CO 0.04 1.44 0.16 1.08 0.00 0.00 0.00 173.10 175.82 2djx s LEU 220 N -1.02 4.36 0.25 0.66 1.43 -0.16 -1.78 118.68 122.43 2djx s LEU 220 Ca 0.45 0.47 0.01 0.00 -1.03 0.00 0.00 54.13 54.03 2djx s LEU 220 Cb -0.29 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 2djx s LEU 220 CO 0.36 0.36 0.13 -0.83 0.23 0.00 0.00 176.35 176.60 2djx s GLY 221 N -0.76 1.74 0.00 -3.19 0.00 -0.75 -1.65 107.32 102.71 2djx s GLY 221 Ca 0.15 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.07 2djx s GLY 221 CO 0.04 -1.52 0.00 0.61 0.00 0.00 0.00 173.10 172.23 2djx n GLY 222 N -0.43 -0.35 0.39 0.20 0.00 -1.26 -1.20 105.19 102.53 2djx n GLY 222 Ca 0.01 -1.69 0.17 0.00 0.00 0.00 0.00 46.02 44.51 2djx n GLY 222 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2djx h LYS 223 N 0.00 0.34 -0.70 1.61 1.79 -1.47 -1.86 116.57 116.28 2djx h LYS 223 Ca 0.00 -0.02 0.18 0.00 -2.18 0.00 0.00 60.65 58.63 2djx h LYS 223 Cb 0.00 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.54 2djx h LYS 223 CO 0.00 0.23 0.49 1.88 -1.08 0.00 0.00 179.45 180.96 2djx h TYR 224 N 0.35 0.21 -0.08 -1.35 0.05 -1.54 -3.27 116.97 111.34 2djx h TYR 224 Ca 0.38 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.16 2djx h TYR 224 Cb 0.96 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.64 2djx h TYR 224 CO -0.00 0.07 0.00 0.44 -1.05 0.00 0.00 178.16 177.62 2djx n ILE 225 N -4.40 0.25 0.09 -2.88 -5.35 -0.70 -4.77 119.36 101.60 2djx n ILE 225 Ca 0.14 -0.62 -0.12 0.00 -0.27 0.00 0.00 62.75 61.87 2djx n ILE 225 Cb 0.65 1.03 -0.06 0.00 -1.74 0.00 0.00 39.64 39.52 2djx n ILE 225 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 2djx h LEU 226 N 1.83 -0.28 -1.42 7.28 5.85 -1.65 -0.57 115.31 126.34 2djx h LEU 226 Ca 0.00 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.83 2djx h LEU 226 Cb 0.47 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 2djx h LEU 226 CO 0.00 -0.17 0.47 -0.65 -0.34 0.00 0.00 178.44 177.75 2djx h PRO 227 N -0.23 0.66 -0.42 5.25 0.11 -1.87 -0.31 132.00 135.18 2djx h PRO 227 Ca 0.01 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 2djx h PRO 227 Cb 0.23 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 2djx h PRO 227 CO -0.04 0.44 0.05 1.15 -0.21 0.00 0.00 178.00 179.39 2djx h THR 228 N 0.68 1.25 -0.17 -1.15 2.02 -1.80 -2.21 112.91 111.53 2djx h THR 228 Ca 0.31 -0.92 -0.02 0.00 0.77 0.00 0.00 66.41 66.55 2djx h THR 228 Cb 0.35 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2djx h THR 228 CO -0.11 0.32 0.04 0.00 0.37 0.00 0.00 175.52 176.15 2djx h ALA 229 N 0.92 0.22 -0.99 6.16 0.00 -0.46 -2.23 119.26 122.89 2djx h ALA 229 Ca 0.12 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2djx h ALA 229 Cb 0.41 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 2djx h ALA 229 CO 0.01 -0.14 0.64 -0.07 0.00 0.00 0.00 179.25 179.69 2djx h LEU 230 N 0.09 1.04 -0.34 0.00 3.38 -1.10 -0.87 115.31 117.50 2djx h LEU 230 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2djx h LEU 230 Cb 0.25 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2djx h LEU 230 CO 0.00 0.68 0.21 0.00 0.09 0.00 0.00 178.44 179.42 2djx h ALA 231 N 1.43 0.43 -0.27 1.53 0.00 -1.23 -1.31 119.26 119.85 2djx h ALA 231 Ca 0.42 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 2djx h ALA 231 Cb 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2djx h ALA 231 CO -0.16 -0.08 -0.05 -0.91 0.00 0.00 0.00 179.25 178.05 2djx h ASN 232 N 0.44 0.51 -0.30 0.00 2.35 -0.99 -0.48 115.58 117.11 2djx h ASN 232 Ca 0.12 -0.35 0.07 0.00 -0.55 0.00 0.00 56.30 55.58 2djx h ASN 232 Cb -0.00 -0.14 -0.07 0.00 0.05 0.00 0.00 38.32 38.16 2djx h ASN 232 CO -0.02 0.74 -0.13 0.58 -1.65 0.00 0.00 177.43 176.95 2djx h VAL 233 N 0.26 0.58 -0.59 2.81 2.07 -1.10 -2.04 116.25 118.24 2djx h VAL 233 Ca 0.07 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.51 2djx h VAL 233 Cb 0.51 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2djx h VAL 233 CO 0.02 0.00 0.06 -1.13 0.02 0.00 0.00 177.57 176.54 2djx h ASN 234 N -0.08 0.98 -0.43 0.57 -1.24 -1.14 -0.38 115.58 113.86 2djx h ASN 234 Ca 0.15 -0.28 0.02 0.00 0.71 0.00 0.00 56.30 56.90 2djx h ASN 234 Cb 0.32 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 2djx h ASN 234 CO -0.35 1.01 0.26 0.00 -1.29 0.00 0.00 177.43 177.06 2djx h ALA 235 N 1.00 0.55 0.00 1.57 0.00 -0.85 -0.78 119.26 120.74 2djx h ALA 235 Ca 0.18 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 2djx h ALA 235 Cb 0.48 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2djx h ALA 235 CO 0.02 -0.06 -0.88 0.74 0.00 0.00 0.00 179.25 179.08 2djx h PHE 236 N 0.53 0.04 -0.55 0.00 0.04 -1.33 -2.19 116.94 113.46 2djx h PHE 236 Ca 0.17 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 2djx h PHE 236 Cb -0.00 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 2djx h PHE 236 CO -0.07 0.88 0.32 -0.92 -0.60 0.00 0.00 178.31 177.93 2djx h TYR 237 N 0.01 0.74 -0.39 -0.55 3.20 -0.82 -0.43 116.97 118.74 2djx h TYR 237 Ca -0.01 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 2djx h TYR 237 Cb 1.54 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.55 2djx h TYR 237 CO 0.00 0.52 0.03 0.00 -1.64 0.00 0.00 178.16 177.07 2djx h ARG 238 N 0.75 0.66 0.00 1.82 3.08 -1.13 -3.33 114.38 116.24 2djx h ARG 238 Ca 0.20 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2djx h ARG 238 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2djx h ARG 238 CO -0.04 0.74 -0.58 0.00 -1.07 0.00 0.00 179.97 179.02 2djx h ARG 239 N 0.50 0.00 -2.25 0.04 3.08 -1.30 -3.38 114.38 111.07 2djx h ARG 239 Ca 0.11 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.56 2djx h ARG 239 Cb 0.42 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.06 2djx h ARG 239 CO 0.01 0.00 -0.56 0.00 -1.07 0.00 0.00 179.97 178.35 2djx h PRO 241 N 3.65 0.00 -0.68 0.00 0.13 -1.75 -2.11 132.00 131.24 2djx h PRO 241 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2djx h PRO 241 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 2djx h PRO 241 CO 0.84 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.36 2djx n ASP 242 N -2.89 3.64 -4.57 1.44 8.00 -1.26 -4.94 116.55 115.97 2djx n ASP 242 Ca -0.01 -2.00 -0.26 0.00 0.71 0.00 0.00 54.79 53.23 2djx n ASP 242 Cb 0.16 -0.45 -0.10 0.00 -0.02 0.00 0.00 41.12 40.71 2djx n ASP 242 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2djx s LYS 243 N -1.10 1.87 0.23 -1.24 1.02 -0.79 -5.04 119.74 114.69 2djx s LYS 243 Ca 0.45 -1.95 -0.12 0.00 0.02 0.00 0.00 55.97 54.38 2djx s LYS 243 Cb 0.24 -1.72 -0.08 0.00 -0.52 0.00 0.00 37.83 35.75 2djx s LYS 243 CO 0.31 0.11 0.59 -0.51 -0.92 0.00 0.00 175.35 174.93 2djx s LEU 244 N -3.64 4.18 -0.11 3.17 1.43 -0.66 -4.99 118.68 118.07 2djx s LEU 244 Ca 0.33 1.04 0.03 0.00 -1.03 0.00 0.00 54.13 54.50 2djx s LEU 244 Cb 0.03 -3.68 -0.00 0.00 0.03 0.00 0.00 46.19 42.57 2djx s LEU 244 CO 0.17 -0.06 -0.21 -0.69 0.23 0.00 0.00 176.35 175.79 2djx s VAL 245 N -1.77 2.33 -0.17 -1.59 1.01 -1.26 -1.07 120.40 117.88 2djx s VAL 245 Ca 0.47 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 2djx s VAL 245 Cb -0.12 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2djx s VAL 245 CO 0.20 0.55 0.07 -0.36 0.00 0.00 0.00 175.10 175.57 2djx s PHE 246 N 0.31 3.30 0.03 5.22 2.99 -0.21 -0.40 117.98 129.22 2djx s PHE 246 Ca -0.16 0.16 -0.14 0.00 0.00 0.00 0.00 56.93 56.79 2djx s PHE 246 Cb -0.17 -2.06 -0.06 0.00 0.00 0.00 0.00 43.02 40.73 2djx s PHE 246 CO 0.08 0.25 0.42 0.20 -0.00 0.00 0.00 175.22 176.16 2djx s GLY 247 N 0.15 2.45 -0.15 4.36 0.00 -0.25 -1.50 107.32 112.37 2djx s GLY 247 Ca 0.05 -0.25 -0.08 0.00 0.00 0.00 0.00 44.72 44.45 2djx s GLY 247 CO 0.00 0.07 0.37 0.00 0.00 0.00 0.00 173.10 173.54 2djx n GLY 249 N 4.41 3.34 2.19 0.00 0.00 -1.26 -0.94 105.19 112.93 2djx n GLY 249 Ca -0.22 -0.56 -0.06 0.00 0.00 0.00 0.00 46.02 45.18 2djx n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2djx n GLY 250 N 0.00 0.84 3.62 -0.02 0.00 -1.25 -4.54 105.19 103.84 2djx n GLY 250 Ca 0.00 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 2djx n GLY 250 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2djx s VAL 251 N -2.20 4.74 0.00 1.61 1.01 -1.26 -4.78 120.40 119.51 2djx s VAL 251 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.24 2djx s VAL 251 Cb 0.00 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.18 2djx s VAL 251 CO 0.00 -0.31 0.00 -1.22 0.00 0.00 0.00 175.10 173.57 2djx n TYR 252 N 6.34 0.00 -4.13 5.22 4.02 -1.26 -4.51 117.16 122.84 2djx n TYR 252 Ca 0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.85 2djx n TYR 252 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.70 2djx n TYR 252 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2djx s SER 253 N -1.82 0.31 0.38 7.72 1.04 -1.26 -4.97 113.70 115.10 2djx s SER 253 Ca 0.00 -1.17 0.09 0.00 0.48 0.00 0.00 55.95 55.35 2djx s SER 253 Cb 0.00 0.30 0.84 0.00 0.10 0.00 0.00 66.02 67.26 2djx s SER 253 CO 0.00 -0.73 1.96 1.23 0.98 0.00 0.00 173.24 176.68 2djx h GLY 254 N 2.87 0.85 0.99 7.32 0.00 -1.86 -1.87 103.07 111.38 2djx h GLY 254 Ca -0.35 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 2djx h GLY 254 CO 0.59 0.17 0.30 -2.09 0.00 0.00 0.00 176.54 175.51 2djx h GLU 255 N 0.64 0.85 -0.70 4.80 4.81 -1.93 0.30 114.58 123.34 2djx h GLU 255 Ca 0.31 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 2djx h GLU 255 Cb 0.39 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2djx h GLU 255 CO -0.10 0.67 0.24 -0.44 -0.73 0.00 0.00 179.01 178.65 2djx h ASP 256 N 0.81 1.00 -0.64 1.04 3.32 -1.77 -1.51 116.42 118.66 2djx h ASP 256 Ca 0.21 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2djx h ASP 256 Cb 0.09 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2djx h ASP 256 CO -0.03 0.93 0.30 0.00 -1.72 0.00 0.00 179.24 178.72 2djx h ALA 257 N 1.11 0.83 -0.65 3.45 0.00 -1.13 -2.12 119.26 120.74 2djx h ALA 257 Ca 0.23 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2djx h ALA 257 Cb 0.27 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2djx h ALA 257 CO -0.01 0.40 0.32 0.35 0.00 0.00 0.00 179.25 180.31 2djx h PHE 258 N 0.89 0.57 -0.51 0.00 3.57 -0.50 -1.29 116.94 119.66 2djx h PHE 258 Ca 0.22 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 2djx h PHE 258 Cb 0.14 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 2djx h PHE 258 CO 0.00 0.22 0.23 -0.07 -2.23 0.00 0.00 178.31 176.46 2djx h LEU 259 N 0.56 0.69 -0.55 0.59 3.38 -1.00 -0.16 115.31 118.81 2djx h LEU 259 Ca 0.31 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.17 2djx h LEU 259 Cb 0.30 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2djx h LEU 259 CO -0.25 0.65 0.31 0.45 0.09 0.00 0.00 178.44 179.69 2djx h HIS 260 N 0.68 0.57 -0.36 1.13 3.86 -1.04 -1.14 115.15 118.85 2djx h HIS 260 Ca 0.17 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.30 2djx h HIS 260 Cb 0.16 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 2djx h HIS 260 CO -0.00 0.30 -0.18 0.82 0.86 0.00 0.00 177.93 179.73 2djx h ILE 261 N 0.60 1.28 -0.71 2.45 2.04 -1.03 -0.93 117.51 121.21 2djx h ILE 261 Ca 0.24 -1.30 0.08 0.00 1.00 0.00 0.00 64.86 64.87 2djx h ILE 261 Cb 0.09 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 2djx h ILE 261 CO -0.13 0.43 0.47 0.25 0.00 0.00 0.00 178.15 179.16 2djx h LEU 262 N 0.55 0.60 -0.71 1.44 5.85 -0.89 -1.01 115.31 121.14 2djx h LEU 262 Ca 0.08 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2djx h LEU 262 Cb 0.72 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2djx h LEU 262 CO 0.05 0.37 0.00 0.00 -0.34 0.00 0.00 178.44 178.53 2djx h ALA 263 N 1.63 1.00 0.00 1.25 0.00 -0.82 -2.43 119.26 119.89 2djx h ALA 263 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2djx h ALA 263 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2djx h ALA 263 CO -0.11 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.55 2djx n GLY 264 N 0.45 -0.09 3.75 0.00 0.00 -0.49 -3.80 105.19 105.00 2djx n GLY 264 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2djx n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2djx s ALA 265 N -0.67 3.54 -0.10 4.61 0.00 -0.40 -4.55 121.76 124.19 2djx s ALA 265 Ca 0.00 1.20 -0.05 0.00 0.00 0.00 0.00 51.96 53.10 2djx s ALA 265 Cb 0.00 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 2djx s ALA 265 CO 0.00 -0.60 -0.10 0.77 0.00 0.00 0.00 175.76 175.82 2djx h SER 266 N 4.70 0.00 -2.60 0.00 0.02 -1.07 -3.41 113.55 111.20 2djx h SER 266 Ca -0.46 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 59.98 2djx h SER 266 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 2djx h SER 266 CO 0.74 0.51 -0.37 -0.04 -1.14 0.00 0.00 176.83 176.53 2djx s MET 267 N -1.80 3.47 -0.14 3.45 -1.94 -1.26 -4.82 119.30 116.26 2djx s MET 267 Ca -0.09 -0.51 -0.00 0.00 -1.71 0.00 0.00 55.69 53.38 2djx s MET 267 Cb 0.01 -2.86 0.03 0.00 2.01 0.00 0.00 34.83 34.02 2djx s MET 267 CO 0.13 0.40 -0.09 0.08 -0.01 0.00 0.00 175.02 175.52 2djx s VAL 268 N -1.93 1.26 0.04 -6.03 1.01 0.41 -1.09 120.40 114.06 2djx s VAL 268 Ca 0.37 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 2djx s VAL 268 Cb -0.10 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 2djx s VAL 268 CO 0.30 0.33 0.20 -1.10 0.00 0.00 0.00 175.10 174.83 2djx s GLN 269 N 1.60 3.44 -0.15 2.72 -0.21 0.30 -2.08 119.66 125.29 2djx s GLN 269 Ca 0.04 -0.41 -0.00 0.00 0.02 0.00 0.00 55.36 55.01 2djx s GLN 269 Cb -0.13 -3.06 0.03 0.00 1.00 0.00 0.00 33.01 30.85 2djx s GLN 269 CO -0.09 0.63 -0.07 0.08 -2.12 0.00 0.00 175.29 173.72 2djx s VAL 270 N -1.46 1.13 0.00 1.09 1.01 -0.60 -4.28 120.40 117.30 2djx s VAL 270 Ca 0.33 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2djx s VAL 270 Cb -0.13 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.03 2djx s VAL 270 CO 0.25 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.21 2djx n GLY 271 N 4.89 0.20 0.27 4.51 0.00 -1.26 -1.54 105.19 112.25 2djx n GLY 271 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.93 2djx n GLY 271 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2djx h THR 272 N 0.00 0.33 -0.74 2.61 2.02 -1.95 -0.96 112.91 114.22 2djx h THR 272 Ca 0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 2djx h THR 272 Cb 0.00 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 66.63 2djx h THR 272 CO 0.00 0.01 0.38 0.00 0.37 0.00 0.00 175.52 176.28 2djx h ALA 273 N 1.71 1.28 -0.40 6.16 0.00 -1.90 -1.62 119.26 124.49 2djx h ALA 273 Ca 0.39 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 2djx h ALA 273 Cb 0.66 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2djx h ALA 273 CO -0.68 0.57 -0.04 1.25 0.00 0.00 0.00 179.25 180.34 2djx h LEU 274 N 1.03 0.74 -1.07 0.00 5.85 -1.50 -0.19 115.31 120.17 2djx h LEU 274 Ca 0.26 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.71 2djx h LEU 274 Cb 0.06 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 2djx h LEU 274 CO -0.04 0.90 0.63 -0.61 -0.34 0.00 0.00 178.44 178.97 2djx h GLN 275 N 0.56 1.10 0.13 1.25 5.75 -0.80 -0.19 115.11 122.90 2djx h GLN 275 Ca 0.11 -0.07 -0.23 0.00 -0.15 0.00 0.00 58.65 58.31 2djx h GLN 275 Cb 0.55 -0.25 0.01 0.00 1.07 0.00 0.00 27.48 28.86 2djx h GLN 275 CO 0.03 0.72 -1.11 0.93 -2.65 0.00 0.00 178.83 176.75 2djx h GLU 276 N 1.13 0.27 0.00 1.69 4.39 -1.20 -3.39 114.58 117.47 2djx h GLU 276 Ca 0.41 -0.47 -0.18 0.00 0.34 0.00 0.00 59.36 59.46 2djx h GLU 276 Cb 0.16 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 2djx h GLU 276 CO -0.16 1.22 -1.32 1.49 -1.16 0.00 0.00 179.01 179.08 2djx h GLU 277 N -0.34 0.00 0.00 2.33 4.81 -1.04 -3.51 114.58 116.82 2djx h GLU 277 Ca -0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2djx h GLU 277 Cb 1.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.08 2djx h GLU 277 CO 0.10 0.38 0.00 0.41 -0.73 0.00 0.00 179.01 179.17 2djx n GLY 278 N 1.40 -1.01 0.08 1.92 0.00 -0.09 -4.67 105.19 102.81 2djx n GLY 278 Ca -0.09 -1.65 0.09 0.00 0.00 0.00 0.00 46.02 44.37 2djx n GLY 278 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djx n PRO 279 N -1.08 0.10 -0.03 1.61 -0.04 -1.26 -1.85 135.00 132.45 2djx n PRO 279 Ca 0.00 0.38 0.23 0.00 -0.04 0.00 0.00 63.50 64.07 2djx n PRO 279 Cb 0.00 -1.71 0.72 0.00 -0.04 0.00 0.00 33.50 32.46 2djx n PRO 279 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2djx h GLY 280 N 2.00 0.00 0.35 0.55 0.00 -1.97 -2.85 103.07 101.15 2djx h GLY 280 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.56 2djx h GLY 280 CO 0.00 0.00 0.59 1.19 0.00 0.00 0.00 176.54 178.32 2djx h ILE 281 N 0.00 0.61 -0.18 2.60 2.10 -1.66 -2.68 117.51 118.30 2djx h ILE 281 Ca 0.29 -0.04 -0.11 0.00 1.08 0.00 0.00 64.86 66.09 2djx h ILE 281 Cb 1.28 0.49 -0.01 0.00 -1.09 0.00 0.00 36.82 37.49 2djx h ILE 281 CO -0.00 0.02 -0.36 -0.26 -1.08 0.00 0.00 178.15 176.47 2djx h PHE 282 N 0.11 0.45 -0.40 2.19 0.04 -1.77 -0.48 116.94 117.09 2djx h PHE 282 Ca 0.41 -0.12 -0.14 0.00 2.80 0.00 0.00 57.97 60.93 2djx h PHE 282 Cb 1.45 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 39.49 2djx h PHE 282 CO -0.00 0.70 -0.31 1.79 -0.60 0.00 0.00 178.31 179.89 2djx h THR 283 N 0.33 1.27 -0.25 -1.55 1.35 -1.71 -2.57 112.91 109.78 2djx h THR 283 Ca 0.04 -1.47 -0.03 0.00 -0.55 0.00 0.00 66.41 64.40 2djx h THR 283 Cb 0.79 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 2djx h THR 283 CO 0.06 0.49 0.05 -0.09 -0.25 0.00 0.00 175.52 175.79 2djx h ARG 284 N 0.74 0.41 -0.61 4.72 2.43 -1.53 -2.07 114.38 118.48 2djx h ARG 284 Ca 0.08 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2djx h ARG 284 Cb 0.87 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.34 2djx h ARG 284 CO 0.08 0.53 0.38 -0.07 -1.51 0.00 0.00 179.97 179.38 2djx h LEU 285 N 0.23 0.63 -0.02 3.80 3.38 -1.08 -0.58 115.31 121.67 2djx h LEU 285 Ca 0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2djx h LEU 285 Cb 0.31 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2djx h LEU 285 CO 0.00 0.44 0.01 -0.33 0.09 0.00 0.00 178.44 178.66 2djx h GLU 286 N 0.76 0.02 -0.60 1.13 5.08 -1.42 -1.05 114.58 118.51 2djx h GLU 286 Ca 0.24 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2djx h GLU 286 Cb -0.01 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2djx h GLU 286 CO -0.09 0.02 0.37 -0.44 -1.00 0.00 0.00 179.01 177.87 2djx h ASP 287 N 0.02 0.62 -0.49 1.42 3.32 -1.18 -1.74 116.42 118.38 2djx h ASP 287 Ca 0.01 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 2djx h ASP 287 Cb -0.00 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2djx h ASP 287 CO -0.00 0.44 0.02 -0.33 -1.72 0.00 0.00 179.24 177.64 2djx h GLU 288 N 0.74 0.86 -0.45 3.56 5.08 -0.96 -2.32 114.58 121.11 2djx h GLU 288 Ca 0.23 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 2djx h GLU 288 Cb -0.01 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2djx h GLU 288 CO -0.09 0.89 -0.08 1.25 -1.00 0.00 0.00 179.01 179.98 2djx h LEU 289 N 0.73 0.84 -1.08 1.33 5.85 -1.04 -2.63 115.31 119.31 2djx h LEU 289 Ca 0.14 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 2djx h LEU 289 Cb 0.49 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2djx h LEU 289 CO 0.02 1.00 0.40 -0.07 -0.34 0.00 0.00 178.44 179.45 2djx h LEU 290 N 0.68 0.94 -0.48 2.25 3.38 -1.28 -1.74 115.31 119.05 2djx h LEU 290 Ca 0.12 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2djx h LEU 290 Cb 0.61 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2djx h LEU 290 CO 0.04 0.76 0.23 -0.08 0.09 0.00 0.00 178.44 179.48 2djx h GLU 291 N 1.05 0.69 -0.32 1.13 4.22 -1.32 -1.56 114.58 118.48 2djx h GLU 291 Ca 0.26 -0.10 -0.03 0.00 0.08 0.00 0.00 59.36 59.57 2djx h GLU 291 Cb 0.04 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2djx h GLU 291 CO -0.04 0.59 0.06 0.82 -2.18 0.00 0.00 179.01 178.26 2djx h ILE 292 N 0.63 1.23 -0.60 2.32 2.04 -1.25 -1.89 117.51 119.99 2djx h ILE 292 Ca 0.16 -0.78 0.06 0.00 1.00 0.00 0.00 64.86 65.31 2djx h ILE 292 Cb 0.12 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 2djx h ILE 292 CO -0.02 0.26 0.30 0.24 0.00 0.00 0.00 178.15 178.93 2djx h MET 293 N 0.35 0.54 -0.38 2.37 2.86 -1.25 -2.32 114.93 117.09 2djx h MET 293 Ca 0.10 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2djx h MET 293 Cb 0.32 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2djx h MET 293 CO 0.00 0.35 0.14 0.00 1.06 0.00 0.00 176.91 178.47 2djx h ALA 294 N 1.34 0.50 -0.67 6.32 0.00 -1.11 -0.01 119.26 125.63 2djx h ALA 294 Ca 0.28 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2djx h ALA 294 Cb 0.23 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2djx h ALA 294 CO -0.21 0.11 0.44 -0.09 0.00 0.00 0.00 179.25 179.51 2djx h ARG 295 N 0.47 0.76 -0.00 0.00 2.43 -1.16 -2.73 114.38 114.15 2djx h ARG 295 Ca 0.13 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2djx h ARG 295 Cb 0.21 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2djx h ARG 295 CO -0.01 0.50 -0.49 1.63 -1.51 0.00 0.00 179.97 180.09 2djx n LYS 296 N -4.46 0.48 -2.09 0.20 5.02 -0.89 -4.97 118.16 111.44 2djx n LYS 296 Ca 0.08 -0.32 -0.04 0.00 -2.02 0.00 0.00 58.31 56.02 2djx n LYS 296 Cb 0.14 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.66 2djx n LYS 296 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2djx n GLY 297 N 1.43 0.24 3.62 0.72 0.00 -0.56 -5.05 105.19 105.59 2djx n GLY 297 Ca 0.08 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 2djx n GLY 297 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2djx s TYR 298 N -2.21 3.27 -0.12 1.61 2.02 -0.13 -4.97 117.35 116.82 2djx s TYR 298 Ca 0.00 0.30 0.16 0.00 -0.37 0.00 0.00 57.07 57.16 2djx s TYR 298 Cb -0.00 -2.44 -0.08 0.00 -0.40 0.00 0.00 41.96 39.04 2djx s TYR 298 CO 0.00 -0.12 1.04 0.00 -1.57 0.00 0.00 175.55 174.90 2djx h ARG 299 N 8.00 0.00 -4.44 -0.62 3.08 -1.97 -3.40 114.38 115.03 2djx h ARG 299 Ca -0.35 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.53 2djx h ARG 299 Cb 1.17 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.07 2djx h ARG 299 CO 0.62 0.39 -0.68 0.95 -1.07 0.00 0.00 179.97 180.18 2djx s THR 300 N -2.92 0.41 0.29 2.04 -4.23 -1.26 -4.84 115.64 105.13 2djx s THR 300 Ca -0.01 -1.88 0.02 0.00 -1.18 0.00 0.00 61.69 58.64 2djx s THR 300 Cb 0.08 -1.67 0.10 0.00 1.34 0.00 0.00 72.50 72.35 2djx s THR 300 CO 0.79 -0.87 1.76 -0.07 -0.54 0.00 0.00 174.62 175.69 2djx h LEU 301 N 3.03 0.56 -2.15 4.79 3.38 -1.93 -3.08 115.31 119.91 2djx h LEU 301 Ca -0.35 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.51 2djx h LEU 301 Cb 1.16 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2djx h LEU 301 CO 0.65 0.73 0.14 -0.33 0.09 0.00 0.00 178.44 179.71 2djx h GLU 302 N 0.52 0.00 0.00 1.13 5.08 -1.96 -2.08 114.58 117.26 2djx h GLU 302 Ca 0.09 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2djx h GLU 302 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2djx h GLU 302 CO 0.03 0.00 -0.13 0.93 -1.00 0.00 0.00 179.01 178.85 2djx h GLU 303 N 0.00 0.00 0.00 2.33 5.08 -1.97 -3.31 114.58 116.72 2djx h GLU 303 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2djx h GLU 303 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2djx h GLU 303 CO -0.00 0.13 0.00 1.97 -1.00 0.00 0.00 179.01 180.11 2djx n PHE 304 N -3.59 0.00 -1.73 4.33 -1.74 -1.02 -4.97 117.46 108.73 2djx n PHE 304 Ca -0.02 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.45 2djx n PHE 304 Cb 0.26 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.23 2djx n PHE 304 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 2djx s ARG 305 N -0.28 4.14 0.00 3.97 3.52 -0.81 -1.90 118.95 127.58 2djx s ARG 305 Ca 0.00 2.57 0.00 0.00 -0.13 0.00 0.00 55.73 58.17 2djx s ARG 305 Cb 0.00 -3.70 0.00 0.00 -1.56 0.00 0.00 34.95 29.69 2djx s ARG 305 CO 0.00 -0.85 0.00 0.41 -0.81 0.00 0.00 175.30 174.05 2djx n GLY 306 N 4.27 0.45 1.61 8.12 0.00 -0.57 -4.89 105.19 114.17 2djx n GLY 306 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 2djx n GLY 306 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2djx n ARG 307 N -2.29 4.08 -1.64 1.61 5.12 -0.80 -4.84 116.66 117.89 2djx n ARG 307 Ca 0.00 -2.55 -0.47 0.00 -1.93 0.00 0.00 57.85 52.91 2djx n ARG 307 Cb 0.08 -2.09 -0.04 0.00 -1.16 0.00 0.00 32.46 29.25 2djx n ARG 307 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 2djx n VAL 308 N 0.56 0.67 -3.41 1.55 3.14 -0.95 -4.97 118.33 114.92 2djx n VAL 308 Ca 0.22 -0.17 -0.38 0.00 -2.96 0.00 0.00 64.34 61.06 2djx n VAL 308 Cb 0.99 -1.28 -0.06 0.00 -1.06 0.00 0.00 33.84 32.43 2djx n VAL 308 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2djx s LYS 309 N -0.08 4.07 0.43 1.45 1.02 -1.26 -5.08 119.74 120.29 2djx s LYS 309 Ca 0.73 0.49 0.06 0.00 0.02 0.00 0.00 55.97 57.27 2djx s LYS 309 Cb -0.73 -3.27 0.01 0.00 -0.52 0.00 0.00 37.83 33.32 2djx s LYS 309 CO 0.48 0.57 0.59 0.95 -0.92 0.00 0.00 175.35 177.02 2djx s THR 310 N -0.74 3.25 -0.26 2.17 -4.23 -1.26 -5.09 115.64 109.49 2djx s THR 310 Ca 0.25 -0.91 -0.16 0.00 -1.18 0.00 0.00 61.69 59.70 2djx s THR 310 Cb -0.17 -3.12 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 2djx s THR 310 CO 0.14 -0.06 0.41 -0.63 -0.54 0.00 0.00 174.62 173.94 2djx s ILE 311 N -2.40 5.15 -0.29 2.99 1.01 -1.26 -5.33 121.20 121.08 2djx s ILE 311 Ca 0.53 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.84 2djx s ILE 311 Cb -0.10 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.64 2djx s ILE 311 CO 0.34 0.16 0.07 -0.62 0.00 0.00 0.00 174.94 174.89