#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rj6 s THR 6 N 0.00 0.39 -0.07 -1.67 2.01 0.33 -5.02 115.64 111.62 1rj6 s THR 6 Ca 0.00 -2.00 0.13 0.00 0.31 0.00 0.00 61.69 60.13 1rj6 s THR 6 Cb 0.00 -2.38 -0.07 0.00 0.01 0.00 0.00 72.50 70.06 1rj6 s THR 6 CO 0.00 0.00 1.20 1.88 -0.69 0.00 0.00 174.62 177.01 1rj6 h TYR 7 N 1.89 0.00 -4.55 4.92 -1.99 -1.89 -3.00 116.97 112.35 1rj6 h TYR 7 Ca -0.32 0.00 -0.37 0.00 2.00 0.00 0.00 58.73 60.04 1rj6 h TYR 7 Cb 1.26 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 39.85 1rj6 h TYR 7 CO 1.58 0.68 -0.56 -1.21 -0.00 0.00 0.00 178.16 178.66 1rj6 s GLU 8 N -2.86 1.50 0.46 4.88 0.41 -1.26 -1.26 118.70 120.58 1rj6 s GLU 8 Ca 0.01 -1.84 0.00 0.00 -0.41 0.00 0.00 54.97 52.73 1rj6 s GLU 8 Cb 0.08 0.20 0.00 0.00 -1.78 0.00 0.00 34.13 32.64 1rj6 s GLU 8 CO 0.79 -0.50 0.00 0.41 -0.49 0.00 0.00 175.26 175.46 1rj6 n GLY 9 N -0.48 -0.96 0.33 -1.39 0.00 -1.26 -3.61 105.19 97.83 1rj6 n GLY 9 Ca 0.04 -1.78 -0.03 0.00 0.00 0.00 0.00 46.02 44.24 1rj6 n GLY 9 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rj6 h PRO 10 N 0.00 1.01 -0.78 1.61 0.11 -1.99 -2.86 132.00 129.10 1rj6 h PRO 10 Ca 0.00 -0.15 -0.51 0.00 0.11 0.00 0.00 66.00 65.45 1rj6 h PRO 10 Cb 0.00 -0.18 -0.29 0.00 0.11 0.00 0.00 31.00 30.64 1rj6 h PRO 10 CO 0.00 0.80 0.14 0.72 -0.21 0.00 0.00 178.00 179.45 1rj6 n HIS 11 N -4.31 2.58 -1.34 0.65 8.25 -1.26 -4.80 115.22 114.99 1rj6 n HIS 11 Ca 0.06 -2.34 -0.29 0.00 -0.26 0.00 0.00 57.72 54.89 1rj6 n HIS 11 Cb 0.16 -0.86 0.19 0.00 1.12 0.00 0.00 29.99 30.60 1rj6 n HIS 11 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1rj6 s GLY 12 N -2.45 1.60 0.15 -1.41 0.00 -1.08 -0.51 107.32 103.62 1rj6 s GLY 12 Ca 0.55 -0.74 0.07 0.00 0.00 0.00 0.00 44.72 44.60 1rj6 s GLY 12 CO 0.02 -0.02 1.09 0.61 0.00 0.00 0.00 173.10 174.80 1rj6 n GLN 13 N -4.23 0.05 0.01 2.90 10.64 -0.39 -1.14 117.38 125.21 1rj6 n GLN 13 Ca 0.10 0.45 -0.19 0.00 -1.83 0.00 0.00 57.00 55.53 1rj6 n GLN 13 Cb 0.59 -1.85 -0.09 0.00 -0.86 0.00 0.00 30.24 28.03 1rj6 n GLN 13 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 1rj6 h ASP 14 N 0.00 0.90 1.48 2.61 3.32 -1.89 -3.31 116.42 119.52 1rj6 h ASP 14 Ca 0.00 -0.69 0.00 0.00 0.02 0.00 0.00 57.03 56.36 1rj6 h ASP 14 Cb 0.39 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1rj6 h ASP 14 CO 0.00 1.46 -0.51 0.45 -1.72 0.00 0.00 179.24 178.92 1rj6 h HIS 15 N 0.41 0.00 -0.69 4.55 3.86 -1.44 -3.39 115.15 118.45 1rj6 h HIS 15 Ca -0.09 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.25 1rj6 h HIS 15 Cb 1.54 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.88 1rj6 h HIS 15 CO 0.10 0.00 -0.17 0.91 0.86 0.00 0.00 177.93 179.63 1rj6 n TRP 16 N -2.87 0.24 0.25 2.45 7.02 -1.14 0.11 117.44 123.50 1rj6 n TRP 16 Ca 0.02 0.84 0.16 0.00 -1.02 0.00 0.00 57.50 57.49 1rj6 n TRP 16 Cb 0.54 -0.89 0.70 0.00 -2.42 0.00 0.00 31.31 29.23 1rj6 n TRP 16 CO 0.00 0.00 0.00 -1.35 -2.02 0.00 0.00 177.69 174.32 1rj6 h PRO 17 N 0.00 0.00 0.21 -0.99 0.11 -1.77 0.21 132.00 129.77 1rj6 h PRO 17 Ca 0.33 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.43 1rj6 h PRO 17 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1rj6 h PRO 17 CO -0.71 0.00 -0.10 1.15 -0.21 0.00 0.00 178.00 178.13 1rj6 h THR 18 N 0.00 0.00 0.00 -1.15 2.02 0.49 -3.03 112.91 111.24 1rj6 h THR 18 Ca 0.07 -0.54 -0.06 0.00 0.77 0.00 0.00 66.41 66.66 1rj6 h THR 18 Cb 1.02 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1rj6 h THR 18 CO -0.00 0.00 -0.27 0.77 0.37 0.00 0.00 175.52 176.39 1rj6 h SER 19 N -0.82 0.00 -2.91 4.18 4.64 -1.53 -3.36 113.55 113.76 1rj6 h SER 19 Ca -0.03 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.69 1rj6 h SER 19 Cb 0.21 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 61.91 1rj6 h SER 19 CO 0.05 0.27 -0.81 -0.31 -0.87 0.00 0.00 176.83 175.16 1rj6 s TYR 20 N -3.62 1.68 0.30 4.77 1.51 0.71 -5.01 117.35 117.70 1rj6 s TYR 20 Ca 0.01 -2.37 -0.01 0.00 -1.01 0.00 0.00 57.07 53.69 1rj6 s TYR 20 Cb 0.10 -1.51 0.68 0.00 -0.11 0.00 0.00 41.96 41.12 1rj6 s TYR 20 CO 0.65 -0.77 1.57 -1.35 -1.11 0.00 0.00 175.55 174.54 1rj6 h PRO 21 N 6.26 0.00 -1.25 -1.71 0.11 -1.69 0.93 132.00 134.65 1rj6 h PRO 21 Ca 0.11 -0.00 0.36 0.00 0.11 0.00 0.00 66.00 66.59 1rj6 h PRO 21 Cb 0.90 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.93 1rj6 h PRO 21 CO 0.44 0.00 0.85 1.49 -0.21 0.00 0.00 178.00 180.57 1rj6 h GLU 22 N 0.00 0.15 0.00 1.05 4.57 -1.85 0.23 114.58 118.73 1rj6 h GLU 22 Ca 0.57 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.74 1rj6 h GLU 22 Cb 1.10 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 1rj6 h GLU 22 CO -0.96 0.10 0.00 0.00 -1.18 0.00 0.00 179.01 176.96 1rj6 n GLY 24 N -0.96 3.13 3.33 0.00 0.00 0.81 -4.73 105.19 106.78 1rj6 n GLY 24 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 1rj6 n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rj6 n GLY 25 N 0.54 -2.74 0.35 -0.02 0.00 0.92 -4.93 105.19 99.31 1rj6 n GLY 25 Ca 0.25 -1.27 0.14 0.00 0.00 0.00 0.00 46.02 45.14 1rj6 n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rj6 n ASP 26 N -4.57 1.11 -2.96 1.61 5.75 -1.26 -4.29 116.55 111.93 1rj6 n ASP 26 Ca 0.05 -1.30 -0.14 0.00 -0.01 0.00 0.00 54.79 53.40 1rj6 n ASP 26 Cb 0.56 0.01 0.01 0.00 -1.03 0.00 0.00 41.12 40.66 1rj6 n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1rj6 n ALA 27 N -0.19 2.06 -1.90 2.12 0.00 -1.26 -4.68 120.51 116.66 1rj6 n ALA 27 Ca 0.19 -2.99 -0.29 0.00 0.00 0.00 0.00 53.44 50.36 1rj6 n ALA 27 Cb 0.30 -0.96 0.08 0.00 0.00 0.00 0.00 19.45 18.87 1rj6 n ALA 27 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1rj6 s GLN 28 N -2.18 2.20 0.08 0.00 -1.52 -1.26 -2.84 119.66 114.14 1rj6 s GLN 28 Ca 0.33 0.15 0.00 0.00 -1.95 0.00 0.00 55.36 53.89 1rj6 s GLN 28 Cb 0.38 -1.99 -0.04 0.00 -0.22 0.00 0.00 33.01 31.13 1rj6 s GLN 28 CO -0.04 -1.42 -0.04 -1.12 -0.25 0.00 0.00 175.29 172.42 1rj6 s SER 29 N -4.52 0.81 1.03 5.90 0.01 -1.26 -4.54 113.70 111.14 1rj6 s SER 29 Ca 0.61 -1.02 -0.12 0.00 1.31 0.00 0.00 55.95 56.72 1rj6 s SER 29 Cb -0.11 0.15 0.17 0.00 0.21 0.00 0.00 66.02 66.44 1rj6 s SER 29 CO 0.49 -0.54 0.91 -0.81 0.41 0.00 0.00 173.24 173.69 1rj6 n PRO 30 N 0.01 -1.23 -4.12 12.44 -0.04 -1.26 -4.45 135.00 136.34 1rj6 n PRO 30 Ca -0.12 -1.41 -0.10 0.00 -0.04 0.00 0.00 63.50 61.83 1rj6 n PRO 30 Cb 0.61 -1.00 -0.09 0.00 -0.04 0.00 0.00 33.50 32.97 1rj6 n PRO 30 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1rj6 s ILE 31 N -2.92 0.07 -0.47 0.52 -4.36 -1.26 0.12 121.20 112.89 1rj6 s ILE 31 Ca 0.53 -1.82 -0.19 0.00 -0.26 0.00 0.00 60.65 58.90 1rj6 s ILE 31 Cb -0.02 -2.12 0.04 0.00 1.25 0.00 0.00 42.46 41.61 1rj6 s ILE 31 CO 0.38 -0.32 0.58 0.21 0.24 0.00 0.00 174.94 176.03 1rj6 s ASN 32 N -3.06 6.24 -0.60 4.36 2.47 -1.26 -2.28 114.94 120.81 1rj6 s ASN 32 Ca 0.26 -0.70 -0.28 0.00 0.42 0.00 0.00 52.86 52.56 1rj6 s ASN 32 Cb 0.06 -2.28 0.03 0.00 -1.45 0.00 0.00 41.25 37.61 1rj6 s ASN 32 CO 0.04 -0.78 1.21 -0.63 -3.72 0.00 0.00 177.10 173.22 1rj6 s ILE 33 N 2.55 3.97 -0.52 -5.21 1.01 -0.07 -4.85 121.20 118.08 1rj6 s ILE 33 Ca 0.16 0.84 -0.22 0.00 0.00 0.00 0.00 60.65 61.43 1rj6 s ILE 33 Cb -0.17 -4.74 0.04 0.00 0.01 0.00 0.00 42.46 37.60 1rj6 s ILE 33 CO 0.14 -1.40 0.82 -1.58 0.00 0.00 0.00 174.94 172.92 1rj6 s GLN 34 N 5.08 3.27 0.39 2.79 2.00 -1.26 -0.56 119.66 131.37 1rj6 s GLN 34 Ca 0.42 -0.45 0.25 0.00 -2.00 0.00 0.00 55.36 53.59 1rj6 s GLN 34 Cb -0.08 -4.05 1.39 0.00 0.80 0.00 0.00 33.01 31.07 1rj6 s GLN 34 CO 0.24 -1.35 1.77 1.79 -0.50 0.00 0.00 175.29 177.24 1rj6 h THR 35 N 5.96 0.00 0.00 -0.34 1.35 -1.96 -1.01 112.91 116.92 1rj6 h THR 35 Ca -0.26 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.50 1rj6 h THR 35 Cb 1.08 0.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 1rj6 h THR 35 CO 1.03 0.00 -0.46 -0.78 -0.25 0.00 0.00 175.52 175.06 1rj6 h ASP 36 N 0.00 0.00 0.32 5.36 1.82 -2.02 -3.09 116.42 118.80 1rj6 h ASP 36 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1rj6 h ASP 36 Cb 0.05 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.06 1rj6 h ASP 36 CO 0.00 0.46 -0.46 -1.20 -1.61 0.00 0.00 179.24 176.42 1rj6 n SER 37 N -3.27 0.83 -4.71 2.28 7.64 -0.39 -4.92 113.62 111.08 1rj6 n SER 37 Ca 0.02 -0.63 -0.42 0.00 1.01 0.00 0.00 58.87 58.84 1rj6 n SER 37 Cb 0.68 0.30 -0.03 0.00 -1.01 0.00 0.00 64.21 64.16 1rj6 n SER 37 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1rj6 s VAL 38 N -2.79 3.16 -0.30 0.44 1.01 -1.15 -4.71 120.40 116.05 1rj6 s VAL 38 Ca 0.16 0.79 -0.13 0.00 0.00 0.00 0.00 61.98 62.80 1rj6 s VAL 38 Cb 0.18 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1rj6 s VAL 38 CO 0.65 0.05 0.27 -0.63 0.00 0.00 0.00 175.10 175.43 1rj6 s ILE 39 N 1.39 5.25 0.18 2.22 1.01 -0.00 -4.89 121.20 126.36 1rj6 s ILE 39 Ca 0.67 0.16 -0.31 0.00 0.00 0.00 0.00 60.65 61.17 1rj6 s ILE 39 Cb -0.38 -3.65 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 1rj6 s ILE 39 CO 0.30 0.12 1.45 0.12 0.00 0.00 0.00 174.94 176.93 1rj6 s PHE 40 N 1.86 3.13 -0.41 3.97 5.36 -1.26 -1.94 117.98 128.69 1rj6 s PHE 40 Ca 0.09 0.91 0.01 0.00 -0.96 0.00 0.00 56.93 56.99 1rj6 s PHE 40 Cb -0.16 -3.79 0.13 0.00 -0.34 0.00 0.00 43.02 38.86 1rj6 s PHE 40 CO 0.11 -2.71 0.21 0.34 -1.46 0.00 0.00 175.22 171.71 1rj6 s ASP 41 N 0.79 3.64 0.08 6.13 2.15 -0.67 -4.90 116.67 123.90 1rj6 s ASP 41 Ca 0.64 -2.43 0.04 0.00 0.43 0.00 0.00 52.55 51.23 1rj6 s ASP 41 Cb -0.40 -0.95 0.23 0.00 -0.30 0.00 0.00 42.92 41.50 1rj6 s ASP 41 CO 0.35 -0.29 1.05 -0.81 -0.17 0.00 0.00 175.17 175.30 1rj6 n PRO 42 N 3.79 0.03 0.00 4.34 -0.04 -1.26 -1.07 135.00 140.78 1rj6 n PRO 42 Ca 0.07 0.45 0.11 0.00 -0.04 0.00 0.00 63.50 64.10 1rj6 n PRO 42 Cb 0.36 -1.70 0.05 0.00 -0.04 0.00 0.00 33.50 32.17 1rj6 n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1rj6 n ASP 43 N -1.59 1.00 -4.60 3.54 8.00 -1.26 -4.88 116.55 116.76 1rj6 n ASP 43 Ca -0.00 -0.84 -0.42 0.00 0.71 0.00 0.00 54.79 54.23 1rj6 n ASP 43 Cb 0.11 0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 41.81 1rj6 n ASP 43 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rj6 s LEU 44 N -2.88 3.44 0.48 0.64 1.43 -0.23 -4.93 118.68 116.63 1rj6 s LEU 44 Ca 0.12 1.72 -0.23 0.00 -1.03 0.00 0.00 54.13 54.71 1rj6 s LEU 44 Cb 0.17 -3.42 -0.07 0.00 0.03 0.00 0.00 46.19 42.90 1rj6 s LEU 44 CO 0.75 -2.01 1.29 -2.16 0.23 0.00 0.00 176.35 174.45 1rj6 s PRO 45 N 6.43 3.53 0.29 1.29 0.04 -1.26 -4.93 135.00 140.39 1rj6 s PRO 45 Ca 0.97 2.09 -0.30 0.00 0.04 0.00 0.00 61.00 63.80 1rj6 s PRO 45 Cb -0.30 -2.43 -0.12 0.00 0.04 0.00 0.00 34.50 31.69 1rj6 s PRO 45 CO 0.34 -0.83 1.57 0.00 0.04 0.00 0.00 177.00 178.13 1rj6 n ALA 46 N -0.58 2.39 -2.30 8.56 0.00 -1.26 -4.88 120.51 122.45 1rj6 n ALA 46 Ca 0.08 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.48 1rj6 n ALA 46 Cb 0.45 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.43 1rj6 n ALA 46 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rj6 s VAL 47 N -0.03 3.85 -0.18 0.00 1.01 -1.26 -4.37 120.40 119.42 1rj6 s VAL 47 Ca 0.64 1.38 -0.05 0.00 0.00 0.00 0.00 61.98 63.96 1rj6 s VAL 47 Cb -0.51 -3.89 0.07 0.00 0.00 0.00 0.00 36.38 32.05 1rj6 s VAL 47 CO 0.49 0.14 0.11 0.00 0.00 0.00 0.00 175.10 175.84 1rj6 s GLN 48 N 0.73 0.08 -0.57 2.72 -2.07 -0.76 -4.99 119.66 114.80 1rj6 s GLN 48 Ca 0.58 -0.03 -0.28 0.00 -1.82 0.00 0.00 55.36 53.80 1rj6 s GLN 48 Cb -0.31 -1.72 0.02 0.00 -1.09 0.00 0.00 33.01 29.91 1rj6 s GLN 48 CO 0.31 -0.67 1.30 -2.14 -1.32 0.00 0.00 175.29 172.77 1rj6 s PRO 49 N 2.17 3.42 -0.38 9.60 0.02 -1.26 -1.82 135.00 146.74 1rj6 s PRO 49 Ca 0.03 0.36 -0.29 0.00 0.02 0.00 0.00 61.00 61.12 1rj6 s PRO 49 Cb -0.16 -4.07 0.00 0.00 0.02 0.00 0.00 34.50 30.29 1rj6 s PRO 49 CO -0.10 -1.80 1.53 -1.01 -0.33 0.00 0.00 177.00 175.29 1rj6 s HIS 50 N 5.48 2.22 -1.07 6.54 3.76 -0.62 -3.97 115.29 127.63 1rj6 s HIS 50 Ca 0.48 0.65 -0.11 0.00 -0.15 0.00 0.00 55.06 55.93 1rj6 s HIS 50 Cb -0.09 -4.25 -0.04 0.00 1.11 0.00 0.00 32.58 29.30 1rj6 s HIS 50 CO 0.25 -2.29 0.86 0.41 -0.85 0.00 0.00 174.74 173.13 1rj6 n GLY 50 N 5.17 -1.11 1.03 -2.22 0.00 -1.26 -3.74 105.19 103.06 1rj6 n GLY 50 Ca 0.18 0.54 0.07 0.00 0.00 0.00 0.00 46.02 46.81 1rj6 n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rj6 n TYR 51 N -3.52 0.84 0.27 1.61 4.02 -1.25 -2.97 117.16 116.15 1rj6 n TYR 51 Ca -0.08 -0.37 0.03 0.00 -0.01 0.00 0.00 57.90 57.48 1rj6 n TYR 51 Cb 0.60 -0.09 0.02 0.00 -0.02 0.00 0.00 39.34 39.86 1rj6 n TYR 51 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1rj6 n ASP 52 N 0.81 1.47 -3.89 7.72 3.85 -1.26 0.07 116.55 125.32 1rj6 n ASP 52 Ca 0.17 -1.24 -0.34 0.00 -0.71 0.00 0.00 54.79 52.67 1rj6 n ASP 52 Cb 0.53 0.05 -0.06 0.00 -1.35 0.00 0.00 41.12 40.29 1rj6 n ASP 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1rj6 n GLN 53 N 0.29 2.81 -0.29 0.11 1.13 -1.16 -4.40 117.38 115.87 1rj6 n GLN 53 Ca 0.04 -4.54 0.08 0.00 -1.94 0.00 0.00 57.00 50.63 1rj6 n GLN 53 Cb 0.16 -2.37 0.22 0.00 0.11 0.00 0.00 30.24 28.36 1rj6 n GLN 53 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1rj6 n LEU 54 N 1.73 2.83 0.00 1.08 4.77 -1.26 -4.88 117.00 121.27 1rj6 n LEU 54 Ca 0.24 -1.42 0.00 0.00 -0.03 0.00 0.00 56.01 54.80 1rj6 n LEU 54 Cb 0.37 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1rj6 n LEU 54 CO 0.42 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1rj6 n GLY 54 N 1.18 -0.16 0.04 -0.72 0.00 -1.26 -4.63 105.19 99.63 1rj6 n GLY 54 Ca 0.17 -1.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.07 1rj6 n GLY 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1rj6 n THR 54 N 0.00 0.48 -1.99 2.61 -1.04 -1.26 -4.85 114.28 108.23 1rj6 n THR 54 Ca 0.00 -0.19 -0.40 0.00 -2.04 0.00 0.00 64.05 61.42 1rj6 n THR 54 Cb 0.00 -0.80 -0.00 0.00 -1.82 0.00 0.00 70.33 67.71 1rj6 n THR 54 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1rj6 s GLU 55 N -2.17 3.97 0.49 -2.82 2.02 -1.26 -4.69 118.70 114.25 1rj6 s GLU 55 Ca -0.11 2.24 -0.22 0.00 0.02 0.00 0.00 54.97 56.91 1rj6 s GLU 55 Cb 0.03 -2.79 -0.08 0.00 0.10 0.00 0.00 34.13 31.39 1rj6 s GLU 55 CO 0.20 -0.52 1.00 -2.30 0.02 0.00 0.00 175.26 173.66 1rj6 n PRO 56 N 0.17 1.22 -3.85 0.39 -0.02 -1.26 -4.49 135.00 127.16 1rj6 n PRO 56 Ca 0.03 0.45 -0.33 0.00 -2.02 0.00 0.00 63.50 61.63 1rj6 n PRO 56 Cb 0.43 -2.11 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 1rj6 n PRO 56 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1rj6 s LEU 57 N -1.13 4.36 -0.25 2.45 1.43 -0.34 -4.85 118.68 120.35 1rj6 s LEU 57 Ca 0.68 0.40 -0.24 0.00 -1.03 0.00 0.00 54.13 53.93 1rj6 s LEU 57 Cb -0.49 -2.73 -0.00 0.00 0.03 0.00 0.00 46.19 42.99 1rj6 s LEU 57 CO 0.53 0.23 0.83 -1.81 0.23 0.00 0.00 176.35 176.36 1rj6 s ASP 58 N -2.00 6.81 -0.32 2.29 1.11 -1.26 -1.32 116.67 121.98 1rj6 s ASP 58 Ca 0.30 0.98 -0.08 0.00 0.18 0.00 0.00 52.55 53.92 1rj6 s ASP 58 Cb -0.13 -2.43 0.02 0.00 1.07 0.00 0.00 42.92 41.44 1rj6 s ASP 58 CO 0.20 -0.54 0.11 -0.22 1.18 0.00 0.00 175.17 175.90 1rj6 s LEU 59 N 2.89 4.09 0.34 1.23 2.96 0.63 -0.64 118.68 130.18 1rj6 s LEU 59 Ca 0.35 -0.81 0.09 0.00 -0.22 0.00 0.00 54.13 53.54 1rj6 s LEU 59 Cb -0.15 -1.91 -0.06 0.00 0.50 0.00 0.00 46.19 44.57 1rj6 s LEU 59 CO 0.08 -0.24 -0.01 -2.28 -1.32 0.00 0.00 176.35 172.58 1rj6 s HIS 60 N 1.50 2.52 -0.25 5.38 2.46 0.13 -1.42 115.29 125.62 1rj6 s HIS 60 Ca 0.02 -0.44 0.01 0.00 0.47 0.00 0.00 55.06 55.11 1rj6 s HIS 60 Cb -0.18 -1.46 0.07 0.00 -0.13 0.00 0.00 32.58 30.87 1rj6 s HIS 60 CO 0.04 0.50 -0.03 1.21 -2.47 0.00 0.00 174.74 173.99 1rj6 s ASN 61 N -3.70 3.87 0.01 9.88 3.84 -1.04 -1.65 114.94 126.16 1rj6 s ASN 61 Ca 0.34 -1.27 -0.13 0.00 0.21 0.00 0.00 52.86 52.02 1rj6 s ASN 61 Cb 0.00 -1.15 -0.07 0.00 -0.55 0.00 0.00 41.25 39.48 1rj6 s ASN 61 CO 0.19 -0.27 0.97 0.78 -2.79 0.00 0.00 177.10 175.98 1rj6 h ASN 62 N 7.96 -0.40 0.00 -4.21 -0.26 -1.50 0.33 115.58 117.50 1rj6 h ASN 62 Ca -0.16 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.59 1rj6 h ASN 62 Cb 1.07 0.10 0.00 0.00 -1.06 0.00 0.00 38.32 38.43 1rj6 h ASN 62 CO 0.42 -0.24 0.00 0.61 -1.06 0.00 0.00 177.43 177.16 1rj6 n GLY 63 N -0.58 0.56 0.01 2.83 0.00 -1.26 -3.84 105.19 102.90 1rj6 n GLY 63 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.00 1rj6 n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rj6 n HIS 64 N 0.00 0.00 -3.90 1.61 -0.00 -1.26 -4.66 115.22 107.01 1rj6 n HIS 64 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.73 1rj6 n HIS 64 Cb 0.00 -0.25 0.01 0.00 -0.00 0.00 0.00 29.99 29.75 1rj6 n HIS 64 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1rj6 n THR 65 N -1.90 0.00 -4.05 1.59 5.66 -1.26 -4.87 114.28 109.46 1rj6 n THR 65 Ca -0.03 -0.23 -0.35 0.00 -3.05 0.00 0.00 64.05 60.39 1rj6 n THR 65 Cb 0.31 0.49 -0.14 0.00 -1.55 0.00 0.00 70.33 69.45 1rj6 n THR 65 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1rj6 s VAL 66 N -2.10 3.42 -0.02 1.08 0.11 -1.26 -1.20 120.40 120.43 1rj6 s VAL 66 Ca 0.21 -0.49 0.08 0.00 -2.93 0.00 0.00 61.98 58.85 1rj6 s VAL 66 Cb -0.01 -2.54 -0.02 0.00 -1.53 0.00 0.00 36.38 32.28 1rj6 s VAL 66 CO 0.01 0.44 -0.26 -1.58 -3.33 0.00 0.00 175.10 170.38 1rj6 s GLN 67 N 1.25 2.11 -0.08 1.54 0.74 -0.66 -3.24 119.66 121.32 1rj6 s GLN 67 Ca 0.03 -0.93 0.05 0.00 0.05 0.00 0.00 55.36 54.55 1rj6 s GLN 67 Cb -0.14 -2.04 -0.00 0.00 1.10 0.00 0.00 33.01 31.92 1rj6 s GLN 67 CO -0.01 0.56 -0.24 -1.17 -0.55 0.00 0.00 175.29 173.88 1rj6 s LEU 68 N -0.63 2.06 0.58 3.68 2.96 0.94 -0.69 118.68 127.57 1rj6 s LEU 68 Ca 0.10 -0.52 -0.16 0.00 -0.22 0.00 0.00 54.13 53.33 1rj6 s LEU 68 Cb -0.10 -1.35 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 1rj6 s LEU 68 CO -0.01 0.19 1.04 -0.44 -1.32 0.00 0.00 176.35 175.81 1rj6 s SER 69 N 0.15 5.94 0.02 3.68 0.01 0.19 -1.84 113.70 121.84 1rj6 s SER 69 Ca -0.12 1.77 0.03 0.00 1.31 0.00 0.00 55.95 58.93 1rj6 s SER 69 Cb -0.16 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.53 1rj6 s SER 69 CO 0.06 -1.06 -0.09 -0.76 0.41 0.00 0.00 173.24 171.81 1rj6 s LEU 70 N -4.43 2.13 0.53 2.44 1.43 -0.74 -4.53 118.68 115.51 1rj6 s LEU 70 Ca 0.63 -0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 53.18 1rj6 s LEU 70 Cb -0.15 -0.34 -0.05 0.00 0.03 0.00 0.00 46.19 45.67 1rj6 s LEU 70 CO 0.36 -0.02 1.22 -2.84 0.23 0.00 0.00 176.35 175.30 1rj6 s PRO 71 N -0.84 3.31 0.00 1.29 0.02 -1.26 -4.70 135.00 132.82 1rj6 s PRO 71 Ca -0.02 1.89 0.17 0.00 0.02 0.00 0.00 61.00 63.06 1rj6 s PRO 71 Cb -0.06 -2.17 0.99 0.00 0.02 0.00 0.00 34.50 33.28 1rj6 s PRO 71 CO 0.00 -0.95 1.40 -2.30 -0.33 0.00 0.00 177.00 174.82 1rj6 n PRO 72 N -1.07 0.58 0.03 5.54 -0.02 -1.26 -2.67 135.00 136.13 1rj6 n PRO 72 Ca 0.11 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.71 1rj6 n PRO 72 Cb 0.48 -1.45 0.40 0.00 -0.02 0.00 0.00 33.50 32.91 1rj6 n PRO 72 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1rj6 n THR 76 N -0.95 0.19 -2.65 3.45 -2.24 -1.26 -4.75 114.28 106.07 1rj6 n THR 76 Ca 0.12 -0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 1rj6 n THR 76 Cb 0.06 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.01 1rj6 n THR 76 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1rj6 s LEU 77 N -3.56 3.91 -0.20 3.22 1.43 -1.09 -4.95 118.68 117.44 1rj6 s LEU 77 Ca 0.11 0.96 -0.01 0.00 -1.03 0.00 0.00 54.13 54.16 1rj6 s LEU 77 Cb 0.16 -3.52 0.01 0.00 0.03 0.00 0.00 46.19 42.87 1rj6 s LEU 77 CO 0.62 -0.91 -0.12 -1.00 0.23 0.00 0.00 176.35 175.18 1rj6 s HIS 78 N 3.71 2.89 -0.36 0.29 3.76 -1.25 -1.64 115.29 122.69 1rj6 s HIS 78 Ca 0.45 -1.34 -0.22 0.00 -0.15 0.00 0.00 55.06 53.81 1rj6 s HIS 78 Cb -0.12 -2.01 0.01 0.00 1.11 0.00 0.00 32.58 31.57 1rj6 s HIS 78 CO 0.17 -0.69 0.70 -1.17 -0.85 0.00 0.00 174.74 172.90 1rj6 s LEU 79 N 1.37 4.21 0.41 0.89 2.96 0.26 -1.59 118.68 127.20 1rj6 s LEU 79 Ca 0.05 0.21 0.08 0.00 -0.22 0.00 0.00 54.13 54.24 1rj6 s LEU 79 Cb -0.14 -2.88 -0.03 0.00 0.50 0.00 0.00 46.19 43.64 1rj6 s LEU 79 CO -0.08 -0.66 0.33 -0.83 -1.32 0.00 0.00 176.35 173.79 1rj6 s GLY 80 N 1.83 2.17 0.00 7.98 0.00 -0.76 -3.14 107.32 115.40 1rj6 s GLY 80 Ca 0.27 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 43.06 1rj6 s GLY 80 CO 0.16 -1.74 0.00 0.61 0.00 0.00 0.00 173.10 172.13 1rj6 n GLY 81 N -1.47 0.72 3.67 0.20 0.00 -1.26 -1.83 105.19 105.22 1rj6 n GLY 81 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1rj6 n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rj6 s LEU 84 N 0.00 3.04 0.31 0.99 1.43 -1.26 -4.55 118.68 118.63 1rj6 s LEU 84 Ca 0.00 -1.04 0.06 0.00 -1.03 0.00 0.00 54.13 52.12 1rj6 s LEU 84 Cb 0.00 -1.37 0.72 0.00 0.03 0.00 0.00 46.19 45.58 1rj6 s LEU 84 CO 0.00 -0.36 1.80 -0.65 0.23 0.00 0.00 176.35 177.37 1rj6 h PRO 85 N 1.66 0.77 -5.46 1.29 0.11 -1.98 -3.43 132.00 124.97 1rj6 h PRO 85 Ca -0.43 -0.05 -0.59 0.00 0.11 0.00 0.00 66.00 65.04 1rj6 h PRO 85 Cb 1.25 -0.17 -0.13 0.00 0.11 0.00 0.00 31.00 32.05 1rj6 h PRO 85 CO 0.69 0.51 -0.59 1.03 -0.21 0.00 0.00 178.00 179.43 1rj6 s ARG 86 N -5.85 1.90 -0.28 1.05 0.52 -1.26 -5.11 118.95 109.93 1rj6 s ARG 86 Ca -0.11 -2.09 -0.19 0.00 -0.52 0.00 0.00 55.73 52.82 1rj6 s ARG 86 Cb 0.24 -1.37 -0.02 0.00 0.52 0.00 0.00 34.95 34.33 1rj6 s ARG 86 CO 0.80 -0.14 0.56 0.15 0.02 0.00 0.00 175.30 176.69 1rj6 s LYS 87 N -3.78 3.99 0.13 3.54 1.02 -1.26 -4.87 119.74 118.51 1rj6 s LYS 87 Ca 0.32 0.30 0.05 0.00 0.02 0.00 0.00 55.97 56.66 1rj6 s LYS 87 Cb 0.08 -3.69 -0.04 0.00 -0.52 0.00 0.00 37.83 33.67 1rj6 s LYS 87 CO 0.15 -0.45 0.05 0.71 -0.92 0.00 0.00 175.35 174.90 1rj6 s TYR 88 N 2.42 3.04 -0.04 3.18 1.51 -1.19 -2.60 117.35 123.68 1rj6 s TYR 88 Ca 0.23 -0.03 0.05 0.00 -1.01 0.00 0.00 57.07 56.31 1rj6 s TYR 88 Cb -0.15 -1.51 -0.01 0.00 -0.11 0.00 0.00 41.96 40.18 1rj6 s TYR 88 CO 0.10 0.51 -0.20 0.99 -1.11 0.00 0.00 175.55 175.84 1rj6 s THR 89 N -1.54 1.60 0.35 -0.71 2.01 -0.39 -0.58 115.64 116.38 1rj6 s THR 89 Ca 0.28 -0.83 -0.28 0.00 0.31 0.00 0.00 61.69 61.17 1rj6 s THR 89 Cb -0.11 -1.36 -0.10 0.00 0.01 0.00 0.00 72.50 70.95 1rj6 s THR 89 CO 0.20 0.46 1.26 0.00 -0.69 0.00 0.00 174.62 175.85 1rj6 s ALA 90 N -0.17 3.40 0.06 7.40 0.00 -0.65 -0.92 121.76 130.87 1rj6 s ALA 90 Ca 0.00 1.18 -0.01 0.00 0.00 0.00 0.00 51.96 53.13 1rj6 s ALA 90 Cb -0.11 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 1rj6 s ALA 90 CO 0.01 -0.60 -0.03 0.00 0.00 0.00 0.00 175.76 175.14 1rj6 n ALA 91 N 0.63 2.84 -2.84 0.00 0.00 0.10 -4.55 120.51 116.69 1rj6 n ALA 91 Ca 0.01 -0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 1rj6 n ALA 91 Cb 0.43 0.29 -0.05 0.00 0.00 0.00 0.00 19.45 20.12 1rj6 n ALA 91 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1rj6 s GLN 92 N -2.06 1.78 -0.12 0.00 -2.07 -1.19 -1.80 119.66 114.21 1rj6 s GLN 92 Ca -0.02 -1.68 -0.17 0.00 -1.82 0.00 0.00 55.36 51.67 1rj6 s GLN 92 Cb 0.01 0.43 0.04 0.00 -1.09 0.00 0.00 33.01 32.39 1rj6 s GLN 92 CO 0.03 -0.72 0.43 -1.17 -1.32 0.00 0.00 175.29 172.54 1rj6 s LEU 93 N -3.20 0.36 0.34 2.60 0.20 -0.77 -0.65 118.68 117.56 1rj6 s LEU 93 Ca 0.30 0.67 -0.06 0.00 0.69 0.00 0.00 54.13 55.73 1rj6 s LEU 93 Cb 0.00 1.55 0.01 0.00 -0.43 0.00 0.00 46.19 47.32 1rj6 s LEU 93 CO 0.18 -0.27 0.54 -1.38 -0.29 0.00 0.00 176.35 175.13 1rj6 s HIS 94 N -0.29 0.81 0.25 5.38 -3.43 -0.72 -0.04 115.29 117.24 1rj6 s HIS 94 Ca -0.04 -1.14 0.06 0.00 -0.80 0.00 0.00 55.06 53.14 1rj6 s HIS 94 Cb -0.03 0.13 -0.05 0.00 -1.43 0.00 0.00 32.58 31.20 1rj6 s HIS 94 CO 0.02 -1.22 -0.07 -0.51 -2.00 0.00 0.00 174.74 170.96 1rj6 s LEU 95 N -3.18 2.46 0.01 5.38 1.43 -1.20 -1.28 118.68 122.29 1rj6 s LEU 95 Ca 0.27 -1.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.23 1rj6 s LEU 95 Cb -0.01 -0.59 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 1rj6 s LEU 95 CO 0.17 -0.32 -0.05 -1.00 0.23 0.00 0.00 176.35 175.38 1rj6 s HIS 96 N -3.07 0.47 0.27 0.29 3.76 -0.36 -4.60 115.29 112.04 1rj6 s HIS 96 Ca 0.27 -0.20 -0.20 0.00 -0.15 0.00 0.00 55.06 54.78 1rj6 s HIS 96 Cb 0.03 -0.29 0.02 0.00 1.11 0.00 0.00 32.58 33.44 1rj6 s HIS 96 CO 0.10 -0.03 0.68 1.67 -0.85 0.00 0.00 174.74 176.31 1rj6 s TRP 97 N -0.47 -0.15 0.15 1.40 -2.14 -1.03 -1.43 118.94 115.27 1rj6 s TRP 97 Ca -0.02 -0.28 0.01 0.00 2.66 0.00 0.00 56.10 58.47 1rj6 s TRP 97 Cb -0.04 0.64 0.03 0.00 -3.10 0.00 0.00 33.47 31.00 1rj6 s TRP 97 CO -0.00 -1.18 0.21 0.41 -2.66 0.00 0.00 176.95 173.72 1rj6 n GLY 98 N -0.44 1.28 3.89 3.67 0.00 -1.25 -2.43 105.19 109.91 1rj6 n GLY 98 Ca -0.05 -2.05 -0.29 0.00 0.00 0.00 0.00 46.02 43.63 1rj6 n GLY 98 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rj6 s GLN 99 N -2.82 3.27 0.12 1.61 -2.07 -1.26 -3.81 119.66 114.71 1rj6 s GLN 99 Ca 0.14 0.36 -0.23 0.00 -1.82 0.00 0.00 55.36 53.82 1rj6 s GLN 99 Cb -0.01 -2.19 -0.05 0.00 -1.09 0.00 0.00 33.01 29.66 1rj6 s GLN 99 CO 0.09 -0.59 1.29 0.54 -1.32 0.00 0.00 175.29 175.30 1rj6 n ARG 100 N -2.63 -0.32 -0.19 9.60 1.74 -1.26 -2.38 116.66 121.22 1rj6 n ARG 100 Ca 0.04 1.26 -0.00 0.00 -0.77 0.00 0.00 57.85 58.38 1rj6 n ARG 100 Cb 0.56 -1.86 0.08 0.00 -1.02 0.00 0.00 32.46 30.22 1rj6 n ARG 100 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1rj6 h GLY 101 N 0.00 0.60 -0.86 -0.13 0.00 -2.02 -3.44 103.07 97.22 1rj6 h GLY 101 Ca 0.12 0.07 -0.48 0.00 0.00 0.00 0.00 47.33 47.04 1rj6 h GLY 101 CO -0.69 -0.17 0.40 -0.45 0.00 0.00 0.00 176.54 175.63 1rj6 s SER 102 N -5.25 5.00 -0.16 0.19 0.15 -1.00 -5.00 113.70 107.63 1rj6 s SER 102 Ca -0.13 0.94 0.16 0.00 0.70 0.00 0.00 55.95 57.61 1rj6 s SER 102 Cb 0.18 -1.59 0.43 0.00 -1.71 0.00 0.00 66.02 63.32 1rj6 s SER 102 CO 0.73 -1.60 1.20 -0.11 1.20 0.00 0.00 173.24 174.66 1rj6 n LEU 102 N -3.13 2.32 -3.79 3.45 7.94 -1.26 -4.70 117.00 117.82 1rj6 n LEU 102 Ca 0.07 -3.37 -0.29 0.00 -1.11 0.00 0.00 56.01 51.31 1rj6 n LEU 102 Cb 0.59 -0.32 -0.16 0.00 0.53 0.00 0.00 43.42 44.06 1rj6 n LEU 102 CO 0.57 1.18 -0.37 -1.61 -1.11 0.00 0.00 177.39 176.05 1rj6 s GLU 103 N -2.32 0.94 0.00 1.96 2.02 -1.26 -3.48 118.70 116.55 1rj6 s GLU 103 Ca 0.37 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.53 1rj6 s GLU 103 Cb 0.38 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 32.38 1rj6 s GLU 103 CO -0.09 -0.76 0.46 0.41 0.02 0.00 0.00 175.26 175.30 1rj6 n GLY 104 N 4.86 -2.67 3.94 -1.39 0.00 0.13 -4.23 105.19 105.83 1rj6 n GLY 104 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 1rj6 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rj6 s SER 105 N 0.00 4.48 -0.25 1.61 1.04 -0.56 -2.47 113.70 117.56 1rj6 s SER 105 Ca 0.00 0.32 -0.15 0.00 0.48 0.00 0.00 55.95 56.60 1rj6 s SER 105 Cb 0.00 -0.84 -0.10 0.00 0.10 0.00 0.00 66.02 65.18 1rj6 s SER 105 CO 0.00 -1.81 -0.36 -0.62 0.98 0.00 0.00 173.24 171.43 1rj6 n GLU 106 N -3.05 0.57 -2.49 4.02 1.02 -1.26 -4.85 120.64 114.61 1rj6 n GLU 106 Ca 0.10 0.25 -0.33 0.00 -0.02 0.00 0.00 57.16 57.16 1rj6 n GLU 106 Cb 0.60 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.52 1rj6 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1rj6 s HIS 107 N -2.61 3.20 0.27 -0.32 3.76 -1.26 -4.47 115.29 113.86 1rj6 s HIS 107 Ca -0.36 1.54 0.10 0.00 -0.15 0.00 0.00 55.06 56.20 1rj6 s HIS 107 Cb 0.12 -2.92 -0.05 0.00 1.11 0.00 0.00 32.58 30.84 1rj6 s HIS 107 CO 0.47 -0.56 -0.17 -1.01 -0.85 0.00 0.00 174.74 172.63 1rj6 s HIS 108 N -2.29 2.17 -0.18 1.40 3.76 -0.97 -4.59 115.29 114.59 1rj6 s HIS 108 Ca 0.63 -0.42 -0.01 0.00 -0.15 0.00 0.00 55.06 55.11 1rj6 s HIS 108 Cb -0.13 -1.01 0.05 0.00 1.11 0.00 0.00 32.58 32.61 1rj6 s HIS 108 CO 0.24 0.60 -0.03 0.42 -0.85 0.00 0.00 174.74 175.13 1rj6 s ILE 109 N -2.65 1.01 -1.27 0.60 -1.09 -0.23 -0.89 121.20 116.69 1rj6 s ILE 109 Ca 0.29 -0.69 -0.08 0.00 -2.23 0.00 0.00 60.65 57.93 1rj6 s ILE 109 Cb -0.03 -1.29 -0.01 0.00 -1.58 0.00 0.00 42.46 39.56 1rj6 s ILE 109 CO 0.13 0.00 0.65 0.59 -1.23 0.00 0.00 174.94 175.09 1rj6 n ASN 110 N 4.89 -2.62 0.00 3.58 3.02 0.28 -1.30 115.26 123.10 1rj6 n ASN 110 Ca -0.11 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 1rj6 n ASN 110 Cb 0.47 -3.50 0.00 0.00 -0.61 0.00 0.00 39.78 36.14 1rj6 n ASN 110 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1rj6 n SER 111 N -2.89 -2.79 -4.47 6.41 7.64 -1.26 -4.99 113.62 111.27 1rj6 n SER 111 Ca -0.22 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.32 1rj6 n SER 111 Cb 0.65 -2.05 -0.12 0.00 -1.01 0.00 0.00 64.21 61.67 1rj6 n SER 111 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1rj6 s GLU 112 N -1.00 3.62 0.23 1.43 2.02 -0.42 -5.05 118.70 119.53 1rj6 s GLU 112 Ca 0.00 -0.54 0.05 0.00 0.02 0.00 0.00 54.97 54.51 1rj6 s GLU 112 Cb 0.00 -2.94 -0.03 0.00 0.10 0.00 0.00 34.13 31.26 1rj6 s GLU 112 CO 0.00 0.17 0.28 0.00 0.02 0.00 0.00 175.26 175.73 1rj6 s ALA 113 N 0.56 3.79 0.47 5.21 0.00 -1.26 -1.07 121.76 129.46 1rj6 s ALA 113 Ca -0.03 -1.28 0.05 0.00 0.00 0.00 0.00 51.96 50.71 1rj6 s ALA 113 Cb -0.14 -1.56 0.05 0.00 0.00 0.00 0.00 23.12 21.47 1rj6 s ALA 113 CO 0.03 0.29 0.44 0.25 0.00 0.00 0.00 175.76 176.76 1rj6 n THR 114 N -1.19 0.00 -0.01 0.00 -2.24 -1.26 -4.85 114.28 104.73 1rj6 n THR 114 Ca -0.08 -1.77 0.01 0.00 -2.27 0.00 0.00 64.05 59.94 1rj6 n THR 114 Cb 0.57 -0.24 0.33 0.00 -2.10 0.00 0.00 70.33 68.89 1rj6 n THR 114 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rj6 h ALA 115 N 0.54 1.46 -2.84 6.98 0.00 -1.41 0.41 119.26 124.41 1rj6 h ALA 115 Ca -0.27 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.58 1rj6 h ALA 115 Cb 1.06 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1rj6 h ALA 115 CO 0.42 0.40 0.30 0.00 0.00 0.00 0.00 179.25 180.36 1rj6 s ALA 116 N -5.15 -1.30 0.00 0.00 0.00 -0.87 -2.83 121.76 111.62 1rj6 s ALA 116 Ca -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1rj6 s ALA 116 Cb 0.16 0.79 -0.00 0.00 0.00 0.00 0.00 23.12 24.07 1rj6 s ALA 116 CO 0.76 -1.04 -0.00 -2.00 0.00 0.00 0.00 175.76 173.47 1rj6 s GLU 117 N -3.67 0.03 -0.10 0.00 2.12 -0.51 0.24 118.70 116.81 1rj6 s GLU 117 Ca 0.12 -0.03 -0.02 0.00 0.36 0.00 0.00 54.97 55.39 1rj6 s GLU 117 Cb -0.05 -0.02 -0.03 0.00 0.26 0.00 0.00 34.13 34.29 1rj6 s GLU 117 CO 0.06 0.00 -0.00 -1.17 -0.54 0.00 0.00 175.26 173.61 1rj6 s LEU 118 N -0.05 3.52 -0.11 2.70 2.96 0.98 -1.22 118.68 127.46 1rj6 s LEU 118 Ca -0.00 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 1rj6 s LEU 118 Cb -0.00 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.89 1rj6 s LEU 118 CO -0.00 0.33 -0.13 -1.00 -1.32 0.00 0.00 176.35 174.23 1rj6 s HIS 119 N -0.59 1.86 -0.30 5.38 3.76 -0.40 -0.88 115.29 124.12 1rj6 s HIS 119 Ca 0.10 -0.91 -0.05 0.00 -0.15 0.00 0.00 55.06 54.04 1rj6 s HIS 119 Cb -0.12 -1.39 0.03 0.00 1.11 0.00 0.00 32.58 32.21 1rj6 s HIS 119 CO 0.02 -0.51 0.05 0.08 -0.85 0.00 0.00 174.74 173.54 1rj6 s VAL 120 N 1.21 3.57 -0.15 -0.90 1.01 -0.34 -1.76 120.40 123.04 1rj6 s VAL 120 Ca -0.03 -1.01 -0.18 0.00 0.00 0.00 0.00 61.98 60.77 1rj6 s VAL 120 Cb -0.14 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1rj6 s VAL 120 CO -0.04 -0.02 0.46 -0.69 0.00 0.00 0.00 175.10 174.81 1rj6 s VAL 121 N 1.40 5.18 0.34 2.92 1.01 0.17 -1.24 120.40 130.19 1rj6 s VAL 121 Ca -0.01 0.89 0.07 0.00 0.00 0.00 0.00 61.98 62.93 1rj6 s VAL 121 Cb -0.18 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 1rj6 s VAL 121 CO 0.01 0.29 -0.03 -1.00 0.00 0.00 0.00 175.10 174.37 1rj6 s HIS 122 N 0.92 2.25 0.01 5.22 3.76 0.97 0.03 115.29 128.46 1rj6 s HIS 122 Ca 0.24 -0.68 -0.06 0.00 -0.15 0.00 0.00 55.06 54.41 1rj6 s HIS 122 Cb -0.15 -1.42 -0.00 0.00 1.11 0.00 0.00 32.58 32.12 1rj6 s HIS 122 CO 0.09 0.37 0.10 1.52 -0.85 0.00 0.00 174.74 175.98 1rj6 s TYR 123 N -2.86 0.11 -1.08 1.40 -0.85 -0.10 -2.17 117.35 111.81 1rj6 s TYR 123 Ca 0.33 -0.28 -0.24 0.00 -0.52 0.00 0.00 57.07 56.36 1rj6 s TYR 123 Cb 0.06 -0.09 -0.11 0.00 0.38 0.00 0.00 41.96 42.20 1rj6 s TYR 123 CO 0.16 -0.29 2.01 0.34 -1.52 0.00 0.00 175.55 176.24 1rj6 s ASP 124 N -1.59 4.63 0.32 -0.18 3.68 -0.29 -1.27 116.67 121.98 1rj6 s ASP 124 Ca -0.13 -1.19 0.04 0.00 2.13 0.00 0.00 52.55 53.40 1rj6 s ASP 124 Cb -0.06 -2.58 0.64 0.00 -1.45 0.00 0.00 42.92 39.47 1rj6 s ASP 124 CO -0.00 -3.42 1.88 0.77 0.13 0.00 0.00 175.17 174.53 1rj6 h SER 125 N 10.66 0.81 -0.71 -0.34 4.64 -1.75 -0.42 113.55 126.45 1rj6 h SER 125 Ca 0.13 0.03 0.21 0.00 -0.47 0.00 0.00 61.79 61.69 1rj6 h SER 125 Cb 0.97 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.89 1rj6 h SER 125 CO 1.16 0.47 0.87 -0.61 -0.87 0.00 0.00 176.83 177.85 1rj6 h GLN 126 N 0.89 0.00 0.00 4.77 4.15 -1.84 -2.37 115.11 120.71 1rj6 h GLN 126 Ca 0.43 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.85 1rj6 h GLN 126 Cb 0.43 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.12 1rj6 h GLN 126 CO -0.19 0.00 0.00 0.43 -1.93 0.00 0.00 178.83 177.14 1rj6 n SER 127 N -3.38 0.45 -4.02 -0.69 7.64 -0.25 -5.09 113.62 108.28 1rj6 n SER 127 Ca 0.15 -1.11 -0.09 0.00 1.01 0.00 0.00 58.87 58.83 1rj6 n SER 127 Cb 1.10 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 64.22 1rj6 n SER 127 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1rj6 s TYR 128 N -0.11 0.52 -0.11 1.43 1.51 -0.71 -5.04 117.35 114.84 1rj6 s TYR 128 Ca 0.00 -0.91 -0.04 0.00 -1.01 0.00 0.00 57.07 55.11 1rj6 s TYR 128 Cb 0.00 -0.21 -0.01 0.00 -0.11 0.00 0.00 41.96 41.63 1rj6 s TYR 128 CO 0.00 -0.62 -0.08 0.77 -1.11 0.00 0.00 175.55 174.51 1rj6 h SER 129 N 2.69 0.00 -1.05 2.29 0.02 -1.89 -3.42 113.55 112.20 1rj6 h SER 129 Ca -0.33 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.03 1rj6 h SER 129 Cb 1.21 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.67 1rj6 h SER 129 CO 0.53 0.58 -0.44 -0.94 -1.14 0.00 0.00 176.83 175.43 1rj6 s SER 130 N -5.48 4.44 0.18 3.07 1.04 -1.26 -5.01 113.70 110.68 1rj6 s SER 130 Ca -0.07 -1.23 -0.07 0.00 0.48 0.00 0.00 55.95 55.06 1rj6 s SER 130 Cb 0.01 -0.02 0.08 0.00 0.10 0.00 0.00 66.02 66.19 1rj6 s SER 130 CO 0.10 -0.77 1.56 0.25 0.98 0.00 0.00 173.24 175.36 1rj6 h LEU 131 N 1.20 0.88 -1.09 2.42 5.85 -1.98 -2.64 115.31 119.96 1rj6 h LEU 131 Ca -0.41 -0.35 -0.09 0.00 0.84 0.00 0.00 57.88 57.86 1rj6 h LEU 131 Cb 1.28 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1rj6 h LEU 131 CO 0.67 1.11 -0.37 0.77 -0.34 0.00 0.00 178.44 180.27 1rj6 h SER 132 N 0.72 0.16 0.95 1.25 4.64 -2.00 -2.30 113.55 116.96 1rj6 h SER 132 Ca 0.08 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.30 1rj6 h SER 132 Cb 0.84 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1rj6 h SER 132 CO 0.07 0.53 -0.22 -0.08 -0.87 0.00 0.00 176.83 176.25 1rj6 h GLU 133 N 0.14 0.00 -0.00 4.77 4.81 -1.87 -3.27 114.58 119.16 1rj6 h GLU 133 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1rj6 h GLU 133 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1rj6 h GLU 133 CO 0.05 0.22 -0.69 0.00 -0.73 0.00 0.00 179.01 177.87 1rj6 n ALA 134 N -2.22 3.95 0.18 2.92 0.00 -1.05 -4.60 120.51 119.69 1rj6 n ALA 134 Ca 0.00 -0.47 0.11 0.00 0.00 0.00 0.00 53.44 53.08 1rj6 n ALA 134 Cb 0.43 -0.58 0.55 0.00 0.00 0.00 0.00 19.45 19.85 1rj6 n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rj6 n ALA 135 N -1.18 1.10 -0.84 0.00 0.00 -0.89 -2.16 120.51 116.54 1rj6 n ALA 135 Ca 0.04 0.18 0.06 0.00 0.00 0.00 0.00 53.44 53.72 1rj6 n ALA 135 Cb 0.26 -1.31 0.09 0.00 0.00 0.00 0.00 19.45 18.50 1rj6 n ALA 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rj6 n GLN 136 N -2.22 1.63 -4.21 0.00 6.02 -1.26 -4.52 117.38 112.82 1rj6 n GLN 136 Ca -0.01 -2.12 -0.34 0.00 -0.01 0.00 0.00 57.00 54.52 1rj6 n GLN 136 Cb 0.05 -1.27 -0.08 0.00 1.02 0.00 0.00 30.24 29.96 1rj6 n GLN 136 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1rj6 s LYS 137 N -2.09 3.00 0.29 -1.09 -0.14 -0.92 -4.99 119.74 113.80 1rj6 s LYS 137 Ca 0.20 -0.46 -0.30 0.00 -1.36 0.00 0.00 55.97 54.05 1rj6 s LYS 137 Cb 0.18 -2.82 -0.12 0.00 -1.68 0.00 0.00 37.83 33.38 1rj6 s LYS 137 CO 0.02 0.67 1.47 -2.30 -0.76 0.00 0.00 175.35 174.44 1rj6 n PRO 138 N 1.58 2.35 -1.63 -1.68 -0.02 -1.26 -0.49 135.00 133.85 1rj6 n PRO 138 Ca -0.16 0.83 -0.16 0.00 -2.02 0.00 0.00 63.50 62.00 1rj6 n PRO 138 Cb 0.53 -2.53 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 1rj6 n PRO 138 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1rj6 n GLN 139 N 1.72 -1.46 0.07 -0.52 1.13 -1.15 -4.82 117.38 112.35 1rj6 n GLN 139 Ca 0.09 0.93 -0.05 0.00 -1.94 0.00 0.00 57.00 56.03 1rj6 n GLN 139 Cb 0.35 -5.29 0.14 0.00 0.11 0.00 0.00 30.24 25.55 1rj6 n GLN 139 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1rj6 h GLY 140 N 0.00 0.32 -2.70 1.08 0.00 -0.05 -3.44 103.07 98.28 1rj6 h GLY 140 Ca -0.34 -0.36 -0.58 0.00 0.00 0.00 0.00 47.33 46.05 1rj6 h GLY 140 CO 0.48 0.33 -0.67 1.08 0.00 0.00 0.00 176.54 177.76 1rj6 s LEU 141 N -8.10 3.10 -0.09 3.11 1.43 -0.75 -1.13 118.68 116.25 1rj6 s LEU 141 Ca -0.05 -0.66 -0.04 0.00 -1.03 0.00 0.00 54.13 52.35 1rj6 s LEU 141 Cb 0.12 -1.65 0.05 0.00 0.03 0.00 0.00 46.19 44.74 1rj6 s LEU 141 CO 0.80 0.03 0.19 0.00 0.23 0.00 0.00 176.35 177.59 1rj6 s ALA 142 N -2.22 -0.32 -0.02 4.21 0.00 -0.92 -1.18 121.76 121.30 1rj6 s ALA 142 Ca 0.30 0.73 0.07 0.00 0.00 0.00 0.00 51.96 53.05 1rj6 s ALA 142 Cb -0.07 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 1rj6 s ALA 142 CO 0.19 -0.39 -0.22 0.08 0.00 0.00 0.00 175.76 175.41 1rj6 s VAL 143 N 1.79 1.78 -0.22 0.00 1.01 -1.17 -0.02 120.40 123.58 1rj6 s VAL 143 Ca -0.03 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 60.91 1rj6 s VAL 143 Cb -0.12 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1rj6 s VAL 143 CO -0.07 0.50 0.10 -0.76 0.00 0.00 0.00 175.10 174.87 1rj6 s LEU 144 N -0.44 3.84 -0.25 3.92 1.43 -0.37 -2.23 118.68 124.57 1rj6 s LEU 144 Ca 0.06 0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.14 1rj6 s LEU 144 Cb -0.09 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 1rj6 s LEU 144 CO -0.00 0.09 0.02 -0.83 0.23 0.00 0.00 176.35 175.86 1rj6 s GLY 145 N 0.87 1.70 -0.22 -3.19 0.00 0.20 -1.20 107.32 105.48 1rj6 s GLY 145 Ca 0.05 -1.26 -0.04 0.00 0.00 0.00 0.00 44.72 43.47 1rj6 s GLY 145 CO 0.03 0.52 -0.03 -0.42 0.00 0.00 0.00 173.10 173.20 1rj6 s ILE 146 N 1.51 3.52 0.19 0.90 1.09 -0.05 -2.26 121.20 126.09 1rj6 s ILE 146 Ca 0.05 -0.44 -0.28 0.00 -1.10 0.00 0.00 60.65 58.87 1rj6 s ILE 146 Cb -0.15 -2.61 -0.08 0.00 -1.06 0.00 0.00 42.46 38.56 1rj6 s ILE 146 CO -0.00 0.41 0.88 -0.76 -0.10 0.00 0.00 174.94 175.37 1rj6 s LEU 147 N 1.45 4.60 -0.11 2.97 1.43 -1.26 -0.01 118.68 127.75 1rj6 s LEU 147 Ca 0.05 1.80 0.02 0.00 -1.03 0.00 0.00 54.13 54.98 1rj6 s LEU 147 Cb -0.14 -3.48 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 1rj6 s LEU 147 CO -0.02 0.14 -0.18 -0.63 0.23 0.00 0.00 176.35 175.89 1rj6 s ILE 148 N -0.95 2.62 0.32 -0.59 1.01 0.14 -1.22 121.20 122.53 1rj6 s ILE 148 Ca 0.40 -0.83 0.09 0.00 0.00 0.00 0.00 60.65 60.32 1rj6 s ILE 148 Cb -0.24 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 1rj6 s ILE 148 CO 0.29 0.55 -0.01 -1.61 0.00 0.00 0.00 174.94 174.16 1rj6 s GLU 149 N 0.22 2.08 -0.30 2.79 2.02 0.26 -1.90 118.70 123.88 1rj6 s GLU 149 Ca -0.12 -1.68 -0.23 0.00 0.02 0.00 0.00 54.97 52.97 1rj6 s GLU 149 Cb -0.16 -1.97 -0.00 0.00 0.10 0.00 0.00 34.13 32.10 1rj6 s GLU 149 CO 0.06 0.20 0.77 0.08 0.02 0.00 0.00 175.26 176.39 1rj6 s VAL 150 N -2.48 4.82 0.58 2.63 1.01 -1.26 -1.39 120.40 124.32 1rj6 s VAL 150 Ca 0.34 1.18 0.05 0.00 0.00 0.00 0.00 61.98 63.54 1rj6 s VAL 150 Cb -0.02 -4.12 0.07 0.00 0.00 0.00 0.00 36.38 32.31 1rj6 s VAL 150 CO 0.19 -0.21 0.80 -0.83 0.00 0.00 0.00 175.10 175.05 1rj6 s GLY 151 N 1.59 1.80 -0.07 4.51 0.00 0.39 -4.81 107.32 110.73 1rj6 s GLY 151 Ca 0.31 -1.79 0.12 0.00 0.00 0.00 0.00 44.72 43.36 1rj6 s GLY 151 CO 0.12 -1.39 1.34 1.18 0.00 0.00 0.00 173.10 174.34 1rj6 n GLU 151 N -2.34 2.72 -3.89 2.90 1.02 -1.26 -3.96 120.64 115.83 1rj6 n GLU 151 Ca 0.13 -1.87 -0.10 0.00 -0.02 0.00 0.00 57.16 55.29 1rj6 n GLU 151 Cb 0.60 -1.64 -0.09 0.00 -0.02 0.00 0.00 31.44 30.29 1rj6 n GLU 151 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1rj6 s THR 152 N -1.69 0.11 0.11 2.62 -1.32 -1.26 -5.02 115.64 109.19 1rj6 s THR 152 Ca 0.34 -0.92 -0.31 0.00 -1.21 0.00 0.00 61.69 59.59 1rj6 s THR 152 Cb 0.21 -0.76 -0.07 0.00 -1.51 0.00 0.00 72.50 70.37 1rj6 s THR 152 CO 0.17 -0.51 1.32 -0.70 -2.21 0.00 0.00 174.62 172.69 1rj6 s GLU 153 N -2.23 4.37 -0.49 7.08 2.56 -1.26 -2.37 118.70 126.35 1rj6 s GLU 153 Ca -0.08 1.97 -0.18 0.00 0.00 0.00 0.00 54.97 56.68 1rj6 s GLU 153 Cb -0.03 -3.27 0.06 0.00 2.00 0.00 0.00 34.13 32.88 1rj6 s GLU 153 CO -0.02 -0.35 0.56 1.21 -0.56 0.00 0.00 175.26 176.09 1rj6 s ASN 154 N 0.99 6.21 0.53 -1.70 3.84 -1.26 -4.91 114.94 118.64 1rj6 s ASN 154 Ca 0.62 -0.96 0.20 0.00 0.21 0.00 0.00 52.86 52.92 1rj6 s ASN 154 Cb -0.34 -2.26 1.36 0.00 -0.55 0.00 0.00 41.25 39.46 1rj6 s ASN 154 CO 0.31 -0.80 2.13 1.55 -2.79 0.00 0.00 177.10 177.50 1rj6 h PRO 155 N 8.91 0.00 0.67 0.43 0.13 -1.95 -2.70 132.00 137.50 1rj6 h PRO 155 Ca -0.27 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 1rj6 h PRO 155 Cb 1.10 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.24 1rj6 h PRO 155 CO 0.93 0.00 -0.32 0.00 -0.23 0.00 0.00 178.00 178.37 1rj6 h ALA 156 N 1.94 -1.11 0.00 -0.56 0.00 -1.92 -2.97 119.26 114.65 1rj6 h ALA 156 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rj6 h ALA 156 Cb 0.19 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1rj6 h ALA 156 CO -0.00 -1.04 0.13 1.88 0.00 0.00 0.00 179.25 180.22 1rj6 h TYR 157 N -1.01 0.00 0.00 0.00 -1.99 -1.82 -1.30 116.97 110.84 1rj6 h TYR 157 Ca -0.09 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.57 1rj6 h TYR 157 Cb 0.69 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.41 1rj6 h TYR 157 CO 0.05 0.00 -0.33 -0.44 -0.00 0.00 0.00 178.16 177.43 1rj6 h ASP 158 N 0.00 0.00 -0.21 3.88 3.32 -1.31 -0.87 116.42 121.23 1rj6 h ASP 158 Ca 0.00 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 1rj6 h ASP 158 Cb 0.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1rj6 h ASP 158 CO 0.00 0.33 0.40 0.45 -1.72 0.00 0.00 179.24 178.70 1rj6 h HIS 159 N 0.00 0.00 0.00 4.55 3.86 -1.30 -0.10 115.15 122.16 1rj6 h HIS 159 Ca -0.00 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.91 1rj6 h HIS 159 Cb 0.70 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.13 1rj6 h HIS 159 CO 0.00 0.00 -1.94 -0.89 0.86 0.00 0.00 177.93 175.96 1rj6 n ILE 160 N -3.31 1.28 -0.32 2.45 5.41 -0.76 -4.66 119.36 119.45 1rj6 n ILE 160 Ca 0.03 -0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1rj6 n ILE 160 Cb 0.51 -1.89 0.18 0.00 -0.71 0.00 0.00 39.64 37.72 1rj6 n ILE 160 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1rj6 h LEU 161 N -0.80 1.02 -2.00 1.39 3.38 -0.90 -2.43 115.31 114.97 1rj6 h LEU 161 Ca -0.45 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1rj6 h LEU 161 Cb 1.35 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1rj6 h LEU 161 CO -0.27 0.71 0.00 0.28 0.09 0.00 0.00 178.44 179.25 1rj6 h SER 162 N 1.19 0.00 -0.22 -0.43 0.02 -1.27 -2.32 113.55 110.53 1rj6 h SER 162 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1rj6 h SER 162 Cb -0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1rj6 h SER 162 CO -0.10 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.13 1rj6 n ARG 163 N -2.63 2.64 0.24 3.45 1.74 -0.92 -4.69 116.66 116.50 1rj6 n ARG 163 Ca -0.02 -2.57 0.11 0.00 -0.77 0.00 0.00 57.85 54.60 1rj6 n ARG 163 Cb 0.08 -1.63 0.62 0.00 -1.02 0.00 0.00 32.46 30.51 1rj6 n ARG 163 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1rj6 h LEU 164 N 1.43 0.00 -1.26 0.55 3.38 -1.44 -2.91 115.31 115.06 1rj6 h LEU 164 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1rj6 h LEU 164 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1rj6 h LEU 164 CO 0.13 0.18 -0.36 0.45 0.09 0.00 0.00 178.44 178.92 1rj6 h HIS 165 N 0.00 0.00 0.00 1.13 -0.00 -1.83 -2.66 115.15 111.78 1rj6 h HIS 165 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1rj6 h HIS 165 Cb 0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.88 1rj6 h HIS 165 CO 0.00 0.36 -0.01 0.93 -0.00 0.00 0.00 177.93 179.21 1rj6 h GLU 166 N 0.00 0.00 -0.84 2.45 5.08 -1.88 -3.03 114.58 116.37 1rj6 h GLU 166 Ca -0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.94 1rj6 h GLU 166 Cb 0.67 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.51 1rj6 h GLU 166 CO 0.05 0.01 -0.98 0.44 -1.00 0.00 0.00 179.01 177.53 1rj6 n ILE 167 N -3.15 1.76 -0.24 3.13 -5.35 -1.01 -4.71 119.36 109.78 1rj6 n ILE 167 Ca -0.01 -3.68 0.00 0.00 -0.27 0.00 0.00 62.75 58.79 1rj6 n ILE 167 Cb 0.18 0.02 0.12 0.00 -1.74 0.00 0.00 39.64 38.23 1rj6 n ILE 167 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1rj6 h ARG 168 N 2.57 0.64 -6.60 6.28 2.43 -1.45 -3.43 114.38 114.83 1rj6 h ARG 168 Ca 0.09 -0.04 -0.50 0.00 -0.81 0.00 0.00 59.98 58.73 1rj6 h ARG 168 Cb 1.26 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1rj6 h ARG 168 CO 0.53 0.43 -0.10 0.71 -1.51 0.00 0.00 179.97 180.02 1rj6 s TYR 169 N -6.07 3.50 0.77 2.20 1.51 -1.26 -0.38 117.35 117.61 1rj6 s TYR 169 Ca -0.13 0.57 -0.15 0.00 -1.01 0.00 0.00 57.07 56.36 1rj6 s TYR 169 Cb 0.17 -2.07 0.01 0.00 -0.11 0.00 0.00 41.96 39.96 1rj6 s TYR 169 CO 0.76 0.06 0.80 1.17 -1.11 0.00 0.00 175.55 177.24 1rj6 n LYS 170 N -1.52 0.27 -0.16 -0.62 4.81 0.46 -2.26 118.16 119.14 1rj6 n LYS 170 Ca -0.02 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1rj6 n LYS 170 Cb 0.55 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.51 1rj6 n LYS 170 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1rj6 n ASP 171 N -1.51 0.00 -4.77 3.14 8.00 0.12 -4.61 116.55 116.92 1rj6 n ASP 171 Ca 0.11 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.22 1rj6 n ASP 171 Cb 0.50 -1.62 -0.02 0.00 -0.02 0.00 0.00 41.12 39.96 1rj6 n ASP 171 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1rj6 s GLN 172 N -0.26 4.20 0.38 -1.24 -0.21 -0.96 -4.82 119.66 116.75 1rj6 s GLN 172 Ca 0.00 1.97 0.04 0.00 0.02 0.00 0.00 55.36 57.39 1rj6 s GLN 172 Cb 0.00 -2.86 -0.05 0.00 1.00 0.00 0.00 33.01 31.10 1rj6 s GLN 172 CO 0.00 -0.24 0.05 0.21 -2.12 0.00 0.00 175.29 173.20 1rj6 s LYS 173 N -2.04 1.83 -0.00 2.91 2.20 -1.26 -2.50 119.74 120.87 1rj6 s LYS 173 Ca 0.53 -2.06 -0.30 0.00 -0.36 0.00 0.00 55.97 53.78 1rj6 s LYS 173 Cb -0.34 -1.06 0.12 0.00 -1.51 0.00 0.00 37.83 35.04 1rj6 s LYS 173 CO 0.44 -0.23 1.26 -0.08 -0.36 0.00 0.00 175.35 176.37 1rj6 s THR 174 N -3.11 0.00 0.07 3.43 -1.32 -0.51 -4.78 115.64 109.42 1rj6 s THR 174 Ca 0.30 -0.26 0.08 0.00 -1.21 0.00 0.00 61.69 60.61 1rj6 s THR 174 Cb 0.07 -1.99 -0.03 0.00 -1.51 0.00 0.00 72.50 69.04 1rj6 s THR 174 CO 0.14 0.00 -0.23 -0.44 -2.21 0.00 0.00 174.62 171.88 1rj6 s SER 175 N -2.97 2.76 0.13 8.08 0.01 -1.26 -0.27 113.70 120.18 1rj6 s SER 175 Ca 0.14 -0.60 0.06 0.00 1.31 0.00 0.00 55.95 56.86 1rj6 s SER 175 Cb 0.04 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 1rj6 s SER 175 CO -0.03 0.16 -0.15 0.68 0.41 0.00 0.00 173.24 174.31 1rj6 s VAL 176 N -0.91 1.40 0.11 3.43 -7.23 -0.43 -4.90 120.40 111.87 1rj6 s VAL 176 Ca 0.09 -1.76 -0.31 0.00 -1.81 0.00 0.00 61.98 58.19 1rj6 s VAL 176 Cb -0.09 -1.59 -0.08 0.00 0.56 0.00 0.00 36.38 35.18 1rj6 s VAL 176 CO 0.03 -0.41 1.38 -2.84 -0.31 0.00 0.00 175.10 172.95 1rj6 s PRO 177 N -2.73 4.32 0.57 4.82 0.02 -1.26 -1.19 135.00 139.55 1rj6 s PRO 177 Ca 0.10 2.07 -0.19 0.00 0.02 0.00 0.00 61.00 63.00 1rj6 s PRO 177 Cb -0.05 -3.25 -0.07 0.00 0.02 0.00 0.00 34.50 31.15 1rj6 s PRO 177 CO 0.03 -0.43 0.76 -0.35 -0.33 0.00 0.00 177.00 176.69 1rj6 n PRO 178 N 3.93 0.74 -3.79 5.54 -0.04 -1.26 -4.86 135.00 135.27 1rj6 n PRO 178 Ca 0.11 0.29 -0.10 0.00 -0.04 0.00 0.00 63.50 63.76 1rj6 n PRO 178 Cb 0.42 -1.94 -0.05 0.00 -0.04 0.00 0.00 33.50 31.90 1rj6 n PRO 178 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1rj6 s PHE 179 N -1.59 0.03 -0.37 0.54 -0.12 -1.26 -5.01 117.98 110.21 1rj6 s PHE 179 Ca 0.72 -0.38 -0.27 0.00 -0.05 0.00 0.00 56.93 56.94 1rj6 s PHE 179 Cb -0.44 0.19 -0.05 0.00 -0.63 0.00 0.00 43.02 42.09 1rj6 s PHE 179 CO 0.51 -0.78 2.16 0.45 -0.05 0.00 0.00 175.22 177.52 1rj6 s SER 180 N -2.88 5.19 0.17 1.98 0.15 -1.26 -4.69 113.70 112.35 1rj6 s SER 180 Ca 0.10 1.35 -0.11 0.00 0.70 0.00 0.00 55.95 57.98 1rj6 s SER 180 Cb 0.01 -2.51 0.06 0.00 -1.71 0.00 0.00 66.02 61.87 1rj6 s SER 180 CO -0.05 -2.25 1.67 0.58 1.20 0.00 0.00 173.24 174.38 1rj6 h VAL 181 N 7.23 1.25 -0.99 4.45 2.07 -0.69 -2.91 116.25 126.66 1rj6 h VAL 181 Ca -0.33 -0.93 0.36 0.00 0.82 0.00 0.00 66.70 66.62 1rj6 h VAL 181 Cb 1.23 0.76 -0.17 0.00 -1.52 0.00 0.00 31.29 31.59 1rj6 h VAL 181 CO 1.06 0.34 0.45 -0.09 0.02 0.00 0.00 177.57 179.36 1rj6 h ARG 182 N 0.83 0.11 0.00 1.57 9.65 -1.59 0.58 114.38 125.52 1rj6 h ARG 182 Ca 0.18 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1rj6 h ARG 182 Cb 0.38 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 1rj6 h ARG 182 CO 0.01 0.07 0.00 -1.91 2.80 0.00 0.00 179.97 180.94 1rj6 n GLU 183 N -5.23 0.04 0.00 0.20 4.07 -1.10 -1.69 120.64 116.93 1rj6 n GLU 183 Ca 0.33 0.32 0.13 0.00 -0.06 0.00 0.00 57.16 57.87 1rj6 n GLU 183 Cb 1.08 -1.50 0.33 0.00 -0.06 0.00 0.00 31.44 31.28 1rj6 n GLU 183 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1rj6 n LEU 184 N -1.38 1.00 -4.95 4.31 4.77 0.20 -4.78 117.00 116.17 1rj6 n LEU 184 Ca 0.02 -0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 55.51 1rj6 n LEU 184 Cb 0.05 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1rj6 n LEU 184 CO 0.04 0.19 0.07 -0.36 -1.33 0.00 0.00 177.39 176.01 1rj6 s PHE 185 N -2.59 3.48 0.77 -1.77 0.08 -0.68 -4.90 117.98 112.37 1rj6 s PHE 185 Ca 0.22 0.24 -0.14 0.00 0.12 0.00 0.00 56.93 57.37 1rj6 s PHE 185 Cb 0.19 -1.79 0.06 0.00 -0.57 0.00 0.00 43.02 40.91 1rj6 s PHE 185 CO 0.56 0.28 1.18 -1.25 -0.10 0.00 0.00 175.22 175.89 1rj6 s PRO 186 N -3.97 1.94 0.28 0.24 0.04 -1.26 -4.89 135.00 127.38 1rj6 s PRO 186 Ca 0.38 1.67 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 1rj6 s PRO 186 Cb -0.10 -1.82 0.40 0.00 0.04 0.00 0.00 34.50 33.02 1rj6 s PRO 186 CO 0.32 -1.96 1.89 0.37 0.04 0.00 0.00 177.00 177.66 1rj6 h GLN 187 N -0.65 0.99 -4.56 4.56 4.15 -1.94 -3.40 115.11 114.26 1rj6 h GLN 187 Ca -0.46 -0.13 -0.71 0.00 0.77 0.00 0.00 58.65 58.12 1rj6 h GLN 187 Cb 1.28 -0.19 -0.25 0.00 0.21 0.00 0.00 27.48 28.53 1rj6 h GLN 187 CO 0.48 0.75 -0.51 -0.65 -1.93 0.00 0.00 178.83 176.98 1rj6 s GLN 188 N -5.60 2.77 -0.05 1.69 -0.21 -1.26 -4.96 119.66 112.03 1rj6 s GLN 188 Ca -0.11 -1.16 0.19 0.00 0.02 0.00 0.00 55.36 54.30 1rj6 s GLN 188 Cb 0.17 -3.74 0.64 0.00 1.00 0.00 0.00 33.01 31.08 1rj6 s GLN 188 CO 0.80 -0.75 1.54 1.28 -2.12 0.00 0.00 175.29 176.04 1rj6 n LEU 189 N 4.98 4.08 -0.07 2.90 4.77 -1.26 -4.49 117.00 127.91 1rj6 n LEU 189 Ca -0.12 -2.05 -0.11 0.00 -0.03 0.00 0.00 56.01 53.71 1rj6 n LEU 189 Cb 0.45 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 1rj6 n LEU 189 CO 0.37 0.84 0.83 -0.33 -1.33 0.00 0.00 177.39 177.77 1rj6 h GLU 190 N 3.93 0.35 -5.79 3.23 3.07 -1.94 -3.42 114.58 114.02 1rj6 h GLU 190 Ca 0.00 -0.08 -0.60 0.00 -0.50 0.00 0.00 59.36 58.18 1rj6 h GLU 190 Cb 1.15 -0.05 -0.09 0.00 -0.84 0.00 0.00 28.75 28.92 1rj6 h GLU 190 CO 0.11 0.45 0.46 -0.65 -1.40 0.00 0.00 179.01 177.98 1rj6 s GLN 190 N -5.35 4.15 0.24 2.33 -0.21 -1.26 -4.75 119.66 114.80 1rj6 s GLN 190 Ca -0.14 0.89 -0.19 0.00 0.02 0.00 0.00 55.36 55.94 1rj6 s GLN 190 Cb 0.07 -3.66 0.02 0.00 1.00 0.00 0.00 33.01 30.45 1rj6 s GLN 190 CO 0.72 -0.54 0.61 -0.59 -2.12 0.00 0.00 175.29 173.37 1rj6 s PHE 191 N 2.86 -0.13 0.02 0.91 -0.12 -1.26 -1.06 117.98 119.20 1rj6 s PHE 191 Ca 0.34 -0.25 0.08 0.00 -0.05 0.00 0.00 56.93 57.05 1rj6 s PHE 191 Cb -0.15 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 1rj6 s PHE 191 CO 0.08 -1.06 -0.23 -0.06 -0.05 0.00 0.00 175.22 173.90 1rj6 s PHE 192 N -3.90 2.43 0.09 3.49 0.40 0.32 -1.38 117.98 119.44 1rj6 s PHE 192 Ca 0.11 -0.35 0.07 0.00 -0.60 0.00 0.00 56.93 56.17 1rj6 s PHE 192 Cb -0.03 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 42.01 1rj6 s PHE 192 CO 0.02 0.14 -0.18 0.50 0.70 0.00 0.00 175.22 176.39 1rj6 s ARG 193 N -1.13 1.02 -0.19 0.44 3.52 -0.06 -0.58 118.95 121.97 1rj6 s ARG 193 Ca 0.12 -1.10 -0.35 0.00 -0.13 0.00 0.00 55.73 54.28 1rj6 s ARG 193 Cb -0.10 -1.19 0.14 0.00 -1.56 0.00 0.00 34.95 32.24 1rj6 s ARG 193 CO 0.02 0.27 1.21 1.52 -0.81 0.00 0.00 175.30 177.51 1rj6 s TYR 194 N -1.23 -0.13 -0.06 5.12 -0.85 -0.71 -2.07 117.35 117.42 1rj6 s TYR 194 Ca 0.04 0.10 -0.23 0.00 -0.52 0.00 0.00 57.07 56.45 1rj6 s TYR 194 Cb -0.10 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.71 1rj6 s TYR 194 CO 0.04 -0.20 0.68 -0.80 -1.52 0.00 0.00 175.55 173.75 1rj6 s ASN 195 N -2.09 6.98 0.00 -0.18 0.01 -1.26 -0.80 114.94 117.61 1rj6 s ASN 195 Ca 0.09 1.18 0.00 0.00 -0.71 0.00 0.00 52.86 53.42 1rj6 s ASN 195 Cb -0.01 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 39.25 1rj6 s ASN 195 CO -0.05 -0.08 0.00 0.61 -1.51 0.00 0.00 177.10 176.08 1rj6 n GLY 196 N 3.00 4.80 1.79 0.66 0.00 -0.35 -4.90 105.19 110.20 1rj6 n GLY 196 Ca -0.02 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 1rj6 n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rj6 n SER 197 N 0.00 -0.01 -4.83 1.61 3.41 -1.13 -3.29 113.62 109.38 1rj6 n SER 197 Ca 0.00 -2.21 -0.33 0.00 -0.26 0.00 0.00 58.87 56.08 1rj6 n SER 197 Cb 0.00 0.83 -0.04 0.00 -0.26 0.00 0.00 64.21 64.74 1rj6 n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1rj6 s LEU 198 N 0.00 3.72 -0.03 1.04 1.43 -0.78 -4.48 118.68 119.59 1rj6 s LEU 198 Ca 0.19 1.65 0.14 0.00 -1.03 0.00 0.00 54.13 55.08 1rj6 s LEU 198 Cb 0.01 -4.52 0.45 0.00 0.03 0.00 0.00 46.19 42.15 1rj6 s LEU 198 CO 0.14 -0.58 1.35 0.35 0.23 0.00 0.00 176.35 177.84 1rj6 n THR 199 N -1.29 0.87 -3.91 5.49 -2.24 -1.26 -4.49 114.28 107.45 1rj6 n THR 199 Ca 0.07 -0.70 -0.10 0.00 -2.27 0.00 0.00 64.05 61.05 1rj6 n THR 199 Cb 0.54 0.19 -0.09 0.00 -2.10 0.00 0.00 70.33 68.86 1rj6 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1rj6 s THR 200 N -1.51 0.12 0.51 4.28 -4.23 -1.26 -4.63 115.64 108.92 1rj6 s THR 200 Ca 0.33 -0.97 -0.20 0.00 -1.18 0.00 0.00 61.69 59.66 1rj6 s THR 200 Cb 0.19 -0.77 -0.09 0.00 1.34 0.00 0.00 72.50 73.16 1rj6 s THR 200 CO 0.20 -0.54 0.66 -2.65 -0.54 0.00 0.00 174.62 171.75 1rj6 n PRO 201 N 0.94 0.71 0.00 3.99 -0.02 -1.26 -0.92 135.00 138.43 1rj6 n PRO 201 Ca -0.20 0.27 0.08 0.00 -2.02 0.00 0.00 63.50 61.63 1rj6 n PRO 201 Cb 0.58 -1.76 0.42 0.00 -0.02 0.00 0.00 33.50 32.71 1rj6 n PRO 201 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1rj6 n PRO 202 N 0.02 0.26 -1.90 0.52 -0.02 -1.26 -4.95 135.00 127.67 1rj6 n PRO 202 Ca 0.11 0.12 -0.13 0.00 -2.02 0.00 0.00 63.50 61.59 1rj6 n PRO 202 Cb 0.44 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.40 1rj6 n PRO 202 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rj6 n TYR 204 N -3.48 1.54 -1.51 0.00 0.53 -1.26 -4.12 117.16 108.86 1rj6 n TYR 204 Ca -0.14 0.77 -0.31 0.00 -1.02 0.00 0.00 57.90 57.20 1rj6 n TYR 204 Cb 0.54 -2.31 -0.05 0.00 -1.03 0.00 0.00 39.34 36.49 1rj6 n TYR 204 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 1rj6 n GLN 205 N 3.42 3.38 -0.00 -0.72 6.02 -1.26 -1.87 117.38 126.35 1rj6 n GLN 205 Ca 0.23 -2.41 0.05 0.00 -0.01 0.00 0.00 57.00 54.86 1rj6 n GLN 205 Cb 0.11 -2.45 0.04 0.00 1.02 0.00 0.00 30.24 28.97 1rj6 n GLN 205 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1rj6 n SER 206 N 2.17 1.88 -4.87 1.08 3.41 -1.24 -4.75 113.62 111.29 1rj6 n SER 206 Ca 0.60 -1.44 -0.37 0.00 -0.26 0.00 0.00 58.87 57.41 1rj6 n SER 206 Cb 0.44 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 1rj6 n SER 206 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1rj6 s VAL 207 N -0.86 5.38 -0.47 -3.33 0.11 -1.21 -1.80 120.40 118.22 1rj6 s VAL 207 Ca 0.12 0.30 -0.13 0.00 -2.93 0.00 0.00 61.98 59.34 1rj6 s VAL 207 Cb 0.09 -3.49 0.10 0.00 -1.53 0.00 0.00 36.38 31.54 1rj6 s VAL 207 CO 0.13 0.55 0.37 -0.22 -3.33 0.00 0.00 175.10 172.61 1rj6 s LEU 208 N -1.21 5.65 0.35 2.54 2.96 -0.33 -1.21 118.68 127.44 1rj6 s LEU 208 Ca 0.19 -1.60 -0.25 0.00 -0.22 0.00 0.00 54.13 52.26 1rj6 s LEU 208 Cb -0.13 -2.10 -0.10 0.00 0.50 0.00 0.00 46.19 44.35 1rj6 s LEU 208 CO 0.09 -0.68 0.95 0.26 -1.32 0.00 0.00 176.35 175.65 1rj6 s TRP 209 N 1.52 3.58 -0.11 5.38 0.52 0.02 -3.02 118.94 126.84 1rj6 s TRP 209 Ca 0.04 1.74 -0.03 0.00 0.02 0.00 0.00 56.10 57.86 1rj6 s TRP 209 Cb -0.26 -2.91 0.04 0.00 -1.15 0.00 0.00 33.47 29.20 1rj6 s TRP 209 CO 0.03 0.11 0.07 0.99 0.02 0.00 0.00 176.95 178.16 1rj6 s THR 210 N -1.77 -0.00 -0.20 2.01 2.01 -0.95 -1.74 115.64 115.00 1rj6 s THR 210 Ca 0.53 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.59 1rj6 s THR 210 Cb -0.16 -0.44 0.01 0.00 0.01 0.00 0.00 72.50 71.92 1rj6 s THR 210 CO 0.21 -0.04 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.28 1rj6 s VAL 211 N 2.11 2.64 0.45 3.82 1.01 0.26 -0.62 120.40 130.06 1rj6 s VAL 211 Ca 0.03 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 61.01 1rj6 s VAL 211 Cb -0.14 -2.18 -0.08 0.00 0.00 0.00 0.00 36.38 33.99 1rj6 s VAL 211 CO -0.06 0.46 1.16 -0.36 0.00 0.00 0.00 175.10 176.31 1rj6 s PHE 212 N 1.37 2.93 0.04 5.22 0.40 -0.96 -0.52 117.98 126.45 1rj6 s PHE 212 Ca 0.05 1.54 -0.11 0.00 -0.60 0.00 0.00 56.93 57.81 1rj6 s PHE 212 Cb -0.14 -3.38 -0.33 0.00 0.51 0.00 0.00 43.02 39.69 1rj6 s PHE 212 CO -0.08 -1.45 1.02 -0.97 0.70 0.00 0.00 175.22 174.43 1rj6 h ASN 213 N 2.18 0.68 -4.13 1.36 -1.24 -1.44 -3.44 115.58 109.55 1rj6 h ASN 213 Ca -0.49 -0.75 -0.46 0.00 0.71 0.00 0.00 56.30 55.30 1rj6 h ASN 213 Cb 1.24 -0.22 0.01 0.00 0.73 0.00 0.00 38.32 40.08 1rj6 h ASN 213 CO 0.61 1.59 0.36 -0.13 -1.29 0.00 0.00 177.43 178.57 1rj6 s ARG 214 N -2.62 4.01 0.25 6.67 1.81 -1.26 -5.07 118.95 122.74 1rj6 s ARG 214 Ca -0.08 1.07 0.09 0.00 -1.72 0.00 0.00 55.73 55.09 1rj6 s ARG 214 Cb 0.05 -2.14 -0.04 0.00 -0.45 0.00 0.00 34.95 32.37 1rj6 s ARG 214 CO 0.92 -0.22 0.00 1.03 -0.68 0.00 0.00 175.30 176.35 1rj6 s ARG 215 N -3.66 2.34 0.17 3.54 3.00 -1.26 -4.65 118.95 118.43 1rj6 s ARG 215 Ca 0.61 -1.34 0.02 0.00 0.00 0.00 0.00 55.73 55.02 1rj6 s ARG 215 Cb -0.10 -2.22 -0.04 0.00 0.00 0.00 0.00 34.95 32.59 1rj6 s ARG 215 CO 0.24 0.38 0.33 0.00 0.00 0.00 0.00 175.30 176.25 1rj6 s ALA 216 N -2.19 3.92 0.04 2.13 0.00 -0.36 -4.64 121.76 120.66 1rj6 s ALA 216 Ca 0.30 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1rj6 s ALA 216 Cb -0.07 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 1rj6 s ALA 216 CO 0.20 0.48 -0.14 -0.65 0.00 0.00 0.00 175.76 175.65 1rj6 s GLN 217 N -3.33 0.91 0.05 0.00 -0.21 -1.26 -0.57 119.66 115.25 1rj6 s GLN 217 Ca 0.36 -0.73 0.01 0.00 0.02 0.00 0.00 55.36 55.02 1rj6 s GLN 217 Cb -0.11 -0.91 -0.03 0.00 1.00 0.00 0.00 33.01 32.96 1rj6 s GLN 217 CO 0.29 0.22 -0.06 0.96 -2.12 0.00 0.00 175.29 174.58 1rj6 s ILE 218 N -0.83 0.43 0.75 1.08 -4.36 -0.49 -4.58 121.20 113.21 1rj6 s ILE 218 Ca 0.01 -1.25 -0.14 0.00 -0.26 0.00 0.00 60.65 59.02 1rj6 s ILE 218 Cb -0.08 -0.78 0.05 0.00 1.25 0.00 0.00 42.46 42.90 1rj6 s ILE 218 CO 0.01 -0.55 1.16 -0.94 0.24 0.00 0.00 174.94 174.86 1rj6 s SER 219 N -1.91 4.24 0.56 4.36 1.04 -1.00 0.15 113.70 121.14 1rj6 s SER 219 Ca -0.06 2.17 0.26 0.00 0.48 0.00 0.00 55.95 58.79 1rj6 s SER 219 Cb -0.06 -2.57 1.65 0.00 0.10 0.00 0.00 66.02 65.14 1rj6 s SER 219 CO -0.02 -2.22 2.21 -0.03 0.98 0.00 0.00 173.24 174.16 1rj6 h MET 220 N -0.60 0.00 -0.35 4.02 4.05 -1.90 -0.25 114.93 119.89 1rj6 h MET 220 Ca -0.46 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 58.89 1rj6 h MET 220 Cb 1.27 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.06 1rj6 h MET 220 CO 0.50 0.02 -0.04 0.78 0.23 0.00 0.00 176.91 178.39 1rj6 h GLY 221 N 0.08 0.70 0.82 1.39 0.00 -1.93 -1.35 103.07 102.79 1rj6 h GLY 221 Ca -0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 1rj6 h GLY 221 CO 0.00 0.50 0.01 1.46 0.00 0.00 0.00 176.54 178.52 1rj6 h GLN 222 N 0.45 0.34 -0.61 4.80 4.20 -1.43 -0.25 115.11 122.61 1rj6 h GLN 222 Ca 0.09 -0.10 0.07 0.00 0.06 0.00 0.00 58.65 58.77 1rj6 h GLN 222 Cb 0.53 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 1rj6 h GLN 222 CO 0.03 0.53 0.41 1.25 -0.67 0.00 0.00 178.83 180.37 1rj6 h LEU 223 N 0.12 0.49 -0.11 1.46 5.85 -1.21 -1.28 115.31 120.63 1rj6 h LEU 223 Ca 0.06 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 1rj6 h LEU 223 Cb 0.37 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1rj6 h LEU 223 CO 0.01 0.31 -0.25 -0.33 -0.34 0.00 0.00 178.44 177.84 1rj6 h GLU 224 N 0.56 0.37 -0.02 1.25 5.08 -0.88 -1.96 114.58 118.98 1rj6 h GLU 224 Ca 0.27 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1rj6 h GLU 224 Cb 0.35 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1rj6 h GLU 224 CO -0.08 0.85 0.04 -0.22 -1.00 0.00 0.00 179.01 178.60 1rj6 h LYS 225 N -0.06 0.00 0.03 2.33 3.64 -0.13 0.67 116.57 123.05 1rj6 h LYS 225 Ca -0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1rj6 h LYS 225 Cb 0.85 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1rj6 h LYS 225 CO 0.06 0.00 -0.68 1.25 -2.27 0.00 0.00 179.45 177.80 1rj6 h LEU 226 N 0.00 0.09 -0.33 5.20 5.85 -1.13 -3.35 115.31 121.64 1rj6 h LEU 226 Ca 0.01 -0.81 -0.01 0.00 0.84 0.00 0.00 57.88 57.91 1rj6 h LEU 226 Cb 0.09 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1rj6 h LEU 226 CO -0.00 1.28 0.17 1.56 -0.34 0.00 0.00 178.44 181.11 1rj6 h GLN 227 N -0.86 0.47 -2.52 1.25 4.20 -0.69 -3.34 115.11 113.61 1rj6 h GLN 227 Ca -0.17 -0.06 -0.72 0.00 0.06 0.00 0.00 58.65 57.76 1rj6 h GLN 227 Cb 1.26 -0.09 -0.34 0.00 0.30 0.00 0.00 27.48 28.61 1rj6 h GLN 227 CO -0.05 0.41 0.22 -0.85 -0.67 0.00 0.00 178.83 177.89 1rj6 n GLU 228 N -4.77 3.86 0.00 1.46 0.28 0.17 -4.56 120.64 117.08 1rj6 n GLU 228 Ca -0.01 -4.65 0.00 0.00 -0.16 0.00 0.00 57.16 52.34 1rj6 n GLU 228 Cb 0.09 -2.39 0.00 0.00 1.43 0.00 0.00 31.44 30.57 1rj6 n GLU 228 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1rj6 n THR 228 N 0.80 0.00 -3.45 3.84 -1.04 -1.25 -4.82 114.28 108.36 1rj6 n THR 228 Ca 0.31 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.94 1rj6 n THR 228 Cb 0.35 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.80 1rj6 n THR 228 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1rj6 s LEU 229 N -2.80 4.40 0.23 -4.42 1.43 -1.26 -4.71 118.68 111.56 1rj6 s LEU 229 Ca 0.00 0.88 0.05 0.00 -1.03 0.00 0.00 54.13 54.04 1rj6 s LEU 229 Cb 0.00 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.59 1rj6 s LEU 229 CO 0.00 0.21 0.31 -0.55 0.23 0.00 0.00 176.35 176.55 1rj6 s SER 230 N -0.44 6.11 0.00 2.29 0.15 0.48 -1.20 113.70 121.09 1rj6 s SER 230 Ca 0.24 -0.00 0.18 0.00 0.70 0.00 0.00 55.95 57.07 1rj6 s SER 230 Cb -0.16 -1.75 0.45 0.00 -1.71 0.00 0.00 66.02 62.86 1rj6 s SER 230 CO 0.12 -0.05 1.37 -1.54 1.20 0.00 0.00 173.24 174.34 1rj6 n SER 231 N -1.24 3.39 -4.62 5.45 3.41 0.14 -3.97 113.62 116.19 1rj6 n SER 231 Ca -0.09 -1.96 -0.24 0.00 -0.26 0.00 0.00 58.87 56.32 1rj6 n SER 231 Cb 0.57 -0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 64.11 1rj6 n SER 231 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rj6 s THR 232 N -1.11 2.81 0.05 6.66 -4.23 -1.26 -4.73 115.64 113.84 1rj6 s THR 232 Ca 0.36 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.06 1rj6 s THR 232 Cb 0.20 -2.75 0.12 0.00 1.34 0.00 0.00 72.50 71.41 1rj6 s THR 232 CO 0.26 -0.26 1.65 -0.33 -0.54 0.00 0.00 174.62 175.40 1rj6 h GLU 233 N 1.87 0.00 0.00 3.99 3.07 -1.93 0.13 114.58 121.71 1rj6 h GLU 233 Ca -0.43 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.36 1rj6 h GLU 233 Cb 1.25 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1rj6 h GLU 233 CO 0.64 0.40 0.21 -0.85 -1.40 0.00 0.00 179.01 178.01 1rj6 n GLU 234 N -3.40 1.06 -2.23 2.33 0.28 -1.26 -4.65 120.64 112.77 1rj6 n GLU 234 Ca 0.01 -2.29 -0.34 0.00 -0.16 0.00 0.00 57.16 54.37 1rj6 n GLU 234 Cb 0.57 2.74 -0.00 0.00 1.43 0.00 0.00 31.44 36.19 1rj6 n GLU 234 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1rj6 s ASP 236 N -3.06 5.81 0.15 -1.84 1.01 -1.26 -4.05 116.67 113.43 1rj6 s ASP 236 Ca 0.18 2.02 -0.31 0.00 0.71 0.00 0.00 52.55 55.15 1rj6 s ASP 236 Cb -0.04 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.24 1rj6 s ASP 236 CO 0.13 -1.15 1.42 -2.84 0.21 0.00 0.00 175.17 172.95 1rj6 s PRO 237 N -3.53 4.30 0.34 8.23 0.02 -1.26 -5.14 135.00 137.96 1rj6 s PRO 237 Ca 0.69 2.16 -0.26 0.00 0.02 0.00 0.00 61.00 63.60 1rj6 s PRO 237 Cb -0.20 -3.21 -0.09 0.00 0.02 0.00 0.00 34.50 31.02 1rj6 s PRO 237 CO 0.29 -0.45 1.02 -1.54 -0.33 0.00 0.00 177.00 175.99 1rj6 s SER 238 N 0.94 7.11 -0.16 2.53 1.04 -1.26 -4.92 113.70 118.98 1rj6 s SER 238 Ca 0.64 2.03 -0.00 0.00 0.48 0.00 0.00 55.95 59.10 1rj6 s SER 238 Cb -0.39 -2.60 0.04 0.00 0.10 0.00 0.00 66.02 63.18 1rj6 s SER 238 CO 0.33 -0.24 -0.06 -1.61 0.98 0.00 0.00 173.24 172.63 1rj6 s GLU 239 N -2.02 1.54 -0.50 4.02 2.02 -1.26 -5.01 118.70 117.49 1rj6 s GLU 239 Ca 0.51 -0.53 -0.45 0.00 0.02 0.00 0.00 54.97 54.52 1rj6 s GLU 239 Cb -0.24 -2.01 -0.19 0.00 0.10 0.00 0.00 34.13 31.79 1rj6 s GLU 239 CO 0.30 -0.41 1.86 -2.30 0.02 0.00 0.00 175.26 174.73 1rj6 n PRO 240 N 4.86 0.00 -2.73 0.39 -0.02 -1.26 -0.68 135.00 135.55 1rj6 n PRO 240 Ca -0.12 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.93 1rj6 n PRO 240 Cb 0.48 -1.49 -0.03 0.00 -0.02 0.00 0.00 33.50 32.44 1rj6 n PRO 240 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1rj6 s LEU 241 N 4.48 4.00 0.28 2.45 2.96 -0.34 -4.72 118.68 127.78 1rj6 s LEU 241 Ca 1.12 -1.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1rj6 s LEU 241 Cb -1.49 -2.48 -0.02 0.00 0.50 0.00 0.00 46.19 42.70 1rj6 s LEU 241 CO 0.74 -1.51 0.32 0.68 -1.32 0.00 0.00 176.35 175.26 1rj6 s VAL 242 N 4.47 0.00 -1.40 1.68 -7.23 -1.26 -4.75 120.40 111.91 1rj6 s VAL 242 Ca 0.32 -1.79 -0.03 0.00 -1.81 0.00 0.00 61.98 58.67 1rj6 s VAL 242 Cb -0.09 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.37 1rj6 s VAL 242 CO 0.05 0.00 0.63 0.00 -0.31 0.00 0.00 175.10 175.47 1rj6 n GLN 243 N -0.46 -4.28 -1.56 4.82 1.13 -1.11 -4.86 117.38 111.06 1rj6 n GLN 243 Ca 0.02 0.52 -0.36 0.00 -1.94 0.00 0.00 57.00 55.25 1rj6 n GLN 243 Cb 0.63 -4.97 0.06 0.00 0.11 0.00 0.00 30.24 26.07 1rj6 n GLN 243 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1rj6 n ASN 244 N -2.98 7.54 -4.23 1.08 6.94 -1.02 -4.85 115.26 117.74 1rj6 n ASN 244 Ca -0.24 -3.75 -0.26 0.00 -0.02 0.00 0.00 54.58 50.31 1rj6 n ASN 244 Cb 0.65 -1.03 -0.15 0.00 -2.36 0.00 0.00 39.78 36.89 1rj6 n ASN 244 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1rj6 s TYR 245 N -3.75 1.79 0.32 -2.53 -0.85 -1.26 -4.59 117.35 106.48 1rj6 s TYR 245 Ca 0.58 -0.36 -0.17 0.00 -0.52 0.00 0.00 57.07 56.60 1rj6 s TYR 245 Cb 0.46 -1.10 -0.09 0.00 0.38 0.00 0.00 41.96 41.61 1rj6 s TYR 245 CO -0.19 0.04 0.76 0.50 -1.52 0.00 0.00 175.55 175.15 1rj6 s ARG 246 N -0.89 4.09 0.59 -3.49 3.52 -1.26 -5.02 118.95 116.48 1rj6 s ARG 246 Ca 0.07 0.77 -0.15 0.00 -0.13 0.00 0.00 55.73 56.29 1rj6 s ARG 246 Cb -0.08 -2.49 -0.04 0.00 -1.56 0.00 0.00 34.95 30.77 1rj6 s ARG 246 CO 0.01 0.18 1.05 0.08 -0.81 0.00 0.00 175.30 175.81 1rj6 s VAL 247 N -1.91 3.95 0.33 7.11 1.01 -1.26 -4.71 120.40 124.92 1rj6 s VAL 247 Ca 0.53 0.90 -0.29 0.00 0.00 0.00 0.00 61.98 63.13 1rj6 s VAL 247 Cb -0.11 -3.44 -0.12 0.00 0.00 0.00 0.00 36.38 32.70 1rj6 s VAL 247 CO 0.18 -0.57 1.35 -2.65 0.00 0.00 0.00 175.10 173.41 1rj6 n PRO 248 N -2.04 2.23 -3.76 2.72 -0.02 -1.26 -4.32 135.00 128.55 1rj6 n PRO 248 Ca 0.08 0.78 -0.20 0.00 -2.02 0.00 0.00 63.50 62.14 1rj6 n PRO 248 Cb 0.53 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 1rj6 n PRO 248 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1rj6 s GLN 249 N -1.65 3.04 0.31 -0.52 -1.52 0.12 -4.94 119.66 114.50 1rj6 s GLN 249 Ca 0.57 -1.05 -0.30 0.00 -1.95 0.00 0.00 55.36 52.63 1rj6 s GLN 249 Cb -0.56 -2.70 -0.11 0.00 -0.22 0.00 0.00 33.01 29.42 1rj6 s GLN 249 CO 0.60 0.19 1.59 -2.30 -0.25 0.00 0.00 175.29 175.12 1rj6 n PRO 250 N -1.45 2.72 0.20 2.91 -0.02 -1.26 -4.60 135.00 133.50 1rj6 n PRO 250 Ca -0.03 0.97 0.08 0.00 -2.02 0.00 0.00 63.50 62.49 1rj6 n PRO 250 Cb 0.58 -2.74 0.35 0.00 -0.02 0.00 0.00 33.50 31.67 1rj6 n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1rj6 h LEU 251 N 4.51 0.00 -2.01 2.45 5.85 -1.93 -3.42 115.31 120.76 1rj6 h LEU 251 Ca -0.48 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 57.65 1rj6 h LEU 251 Cb 1.23 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 42.07 1rj6 h LEU 251 CO 0.77 0.28 -0.95 0.59 -0.34 0.00 0.00 178.44 178.79 1rj6 n ASN 252 N -3.35 0.56 -3.95 1.25 3.02 -1.26 -1.74 115.26 109.79 1rj6 n ASN 252 Ca 0.01 -1.22 -0.29 0.00 -0.03 0.00 0.00 54.58 53.05 1rj6 n ASN 252 Cb 0.50 -1.91 0.00 0.00 -0.61 0.00 0.00 39.78 37.77 1rj6 n ASN 252 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rj6 n GLN 253 N -4.53 -4.35 -3.72 3.52 6.02 -1.26 -4.98 117.38 108.08 1rj6 n GLN 253 Ca -0.31 0.51 -0.36 0.00 -0.01 0.00 0.00 57.00 56.83 1rj6 n GLN 253 Cb 0.69 -5.11 -0.06 0.00 1.02 0.00 0.00 30.24 26.78 1rj6 n GLN 253 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1rj6 s ARG 254 N -6.55 3.63 0.16 -1.09 0.52 -0.71 -5.07 118.95 109.84 1rj6 s ARG 254 Ca 0.39 0.03 -0.24 0.00 -0.52 0.00 0.00 55.73 55.38 1rj6 s ARG 254 Cb -0.20 -3.12 -0.08 0.00 0.52 0.00 0.00 34.95 32.07 1rj6 s ARG 254 CO 0.86 0.67 0.76 0.99 0.02 0.00 0.00 175.30 178.60 1rj6 s THR 255 N -1.21 4.41 -0.18 0.02 2.01 -1.26 -5.05 115.64 114.37 1rj6 s THR 255 Ca 0.25 1.64 0.00 0.00 0.31 0.00 0.00 61.69 63.89 1rj6 s THR 255 Cb -0.14 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.29 1rj6 s THR 255 CO 0.13 0.51 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.77 1rj6 s ILE 256 N -1.17 2.28 0.26 1.82 1.01 -1.26 -4.75 121.20 119.40 1rj6 s ILE 256 Ca 0.36 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 60.15 1rj6 s ILE 256 Cb -0.22 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1rj6 s ILE 256 CO 0.25 0.52 0.44 -0.36 0.00 0.00 0.00 174.94 175.80 1rj6 s PHE 257 N 1.29 3.48 0.03 3.97 0.40 -0.88 -0.82 117.98 125.45 1rj6 s PHE 257 Ca 0.04 0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.69 1rj6 s PHE 257 Cb -0.13 -1.82 -0.02 0.00 0.51 0.00 0.00 43.02 41.56 1rj6 s PHE 257 CO -0.11 0.30 -0.10 0.00 0.70 0.00 0.00 175.22 176.01 1rj6 s ALA 258 N -2.05 0.77 -1.65 5.36 0.00 -0.82 -0.88 121.76 122.50 1rj6 s ALA 258 Ca 0.38 -0.64 0.30 0.00 0.00 0.00 0.00 51.96 52.01 1rj6 s ALA 258 Cb -0.10 -0.09 1.49 0.00 0.00 0.00 0.00 23.12 24.42 1rj6 s ALA 258 CO 0.31 0.11 2.02 -1.13 0.00 0.00 0.00 175.76 177.07 1rj6 n SER 259 N 2.06 0.20 0.00 0.00 3.41 -0.48 -1.66 113.62 117.15 1rj6 n SER 259 Ca -0.18 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 1rj6 n SER 259 Cb 0.56 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1rj6 n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10