#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rj6 s HIS 4 N 0.00 3.21 0.82 -1.40 4.02 -1.26 -5.06 115.29 115.62 1rj6 s HIS 4 Ca 0.00 -0.59 -0.11 0.00 1.02 0.00 0.00 55.06 55.38 1rj6 s HIS 4 Cb 0.00 -2.81 0.08 0.00 -1.02 0.00 0.00 32.58 28.84 1rj6 s HIS 4 CO 0.00 -0.67 1.09 1.67 1.02 0.00 0.00 174.74 177.85 1rj6 s TRP 5 N 1.83 2.66 0.11 1.40 1.48 -1.26 -4.98 118.94 120.17 1rj6 s TRP 5 Ca 0.07 1.23 -0.04 0.00 -1.06 0.00 0.00 56.10 56.30 1rj6 s TRP 5 Cb -0.19 -3.12 -0.03 0.00 -1.16 0.00 0.00 33.47 28.98 1rj6 s TRP 5 CO 0.10 -1.95 0.11 0.99 -4.06 0.00 0.00 176.95 172.15 1rj6 s THR 6 N -3.06 0.13 0.30 0.66 2.01 -0.86 -5.06 115.64 109.77 1rj6 s THR 6 Ca 0.61 -1.63 0.08 0.00 0.31 0.00 0.00 61.69 61.07 1rj6 s THR 6 Cb -0.16 -1.74 0.03 0.00 0.01 0.00 0.00 72.50 70.65 1rj6 s THR 6 CO 0.55 -0.59 1.71 1.88 -0.69 0.00 0.00 174.62 177.48 1rj6 h TYR 7 N 2.84 0.19 -4.76 4.92 -1.99 -1.90 -3.23 116.97 113.04 1rj6 h TYR 7 Ca -0.34 -0.05 -0.40 0.00 2.00 0.00 0.00 58.73 59.94 1rj6 h TYR 7 Cb 1.19 -0.04 -0.13 0.00 2.00 0.00 0.00 36.73 39.75 1rj6 h TYR 7 CO 0.45 0.58 -0.49 -1.21 -0.00 0.00 0.00 178.16 177.49 1rj6 s GLU 8 N -4.06 1.64 0.43 4.88 0.41 -1.26 -1.73 118.70 119.01 1rj6 s GLU 8 Ca -0.04 -1.90 0.00 0.00 -0.41 0.00 0.00 54.97 52.62 1rj6 s GLU 8 Cb 0.13 0.32 0.00 0.00 -1.78 0.00 0.00 34.13 32.81 1rj6 s GLU 8 CO 0.76 -0.60 0.00 0.41 -0.49 0.00 0.00 175.26 175.34 1rj6 n GLY 9 N -0.54 -1.07 0.34 -1.39 0.00 -1.26 -3.63 105.19 97.65 1rj6 n GLY 9 Ca 0.06 -1.80 -0.02 0.00 0.00 0.00 0.00 46.02 44.25 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 1.04 -0.80 1.61 0.11 -2.00 -2.78 132.00 129.18 1rj6 h PRO 10 Ca 0.00 -0.13 -0.53 0.00 0.11 0.00 0.00 66.00 65.44 1rj6 h PRO 10 Cb 0.00 -0.20 -0.30 0.00 0.11 0.00 0.00 31.00 30.61 1rj6 h PRO 10 CO 0.00 0.79 0.13 0.72 -0.21 0.00 0.00 178.00 179.44 1rj6 n HIS 11 N -4.34 2.67 -1.39 0.65 8.25 -1.26 -4.78 115.22 115.03 1rj6 n HIS 11 Ca 0.07 -2.41 -0.29 0.00 -0.26 0.00 0.00 57.72 54.83 1rj6 n HIS 11 Cb 0.12 -0.88 0.19 0.00 1.12 0.00 0.00 29.99 30.55 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 -2.49 1.61 0.00 -1.41 0.00 -1.05 -2.03 107.32 101.95 1rj6 s GLY 12 Ca 0.56 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.50 1rj6 s GLY 12 CO 0.02 -0.06 0.76 0.61 0.00 0.00 0.00 173.10 174.43 1rj6 n GLN 13 N -4.20 0.00 0.12 2.90 10.64 -0.71 -0.84 117.38 125.29 1rj6 n GLN 13 Ca 0.10 0.28 -0.22 0.00 -1.83 0.00 0.00 57.00 55.34 1rj6 n GLN 13 Cb 0.59 -1.65 -0.15 0.00 -0.86 0.00 0.00 30.24 28.17 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 0.67 -0.14 2.61 3.32 -1.89 -3.32 116.42 117.67 1rj6 h ASP 14 Ca 0.00 -0.77 0.00 0.00 0.02 0.00 0.00 57.03 56.28 1rj6 h ASP 14 Cb 0.30 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1rj6 h ASP 14 CO 0.00 1.61 0.00 1.41 -1.72 0.00 0.00 179.24 180.54 1rj6 n HIS 15 N -3.63 0.17 -0.07 4.55 8.25 -0.02 -4.32 115.22 120.15 1rj6 n HIS 15 Ca -0.16 -0.09 -0.07 0.00 -0.26 0.00 0.00 57.72 57.14 1rj6 n HIS 15 Cb 1.08 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.18 1rj6 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1rj6 h TRP 16 N 2.81 0.08 -0.18 4.41 4.06 -1.63 -2.21 115.95 123.30 1rj6 h TRP 16 Ca 0.00 0.02 0.05 0.00 2.06 0.00 0.00 58.89 61.02 1rj6 h TRP 16 Cb 0.61 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.77 1rj6 h TRP 16 CO 0.09 0.02 0.49 -1.35 -3.56 0.00 0.00 178.44 174.13 1rj6 h PRO 17 N 0.15 0.00 0.20 0.49 0.11 -1.75 0.19 132.00 131.39 1rj6 h PRO 17 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1rj6 h PRO 17 Cb 0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 1rj6 h PRO 17 CO -0.18 0.00 -0.09 1.15 -0.21 0.00 0.00 178.00 178.67 1rj6 h THR 18 N 0.00 0.00 0.00 -1.15 2.02 -1.71 -3.00 112.91 109.07 1rj6 h THR 18 Ca 0.08 -0.51 -0.05 0.00 0.77 0.00 0.00 66.41 66.70 1rj6 h THR 18 Cb 1.07 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1rj6 h THR 18 CO -0.00 0.00 -0.25 0.77 0.37 0.00 0.00 175.52 176.41 1rj6 h SER 19 N -0.78 0.00 -2.90 4.18 4.64 -1.49 -3.36 113.55 113.85 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 0.20 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 61.90 1rj6 h SER 19 CO 0.04 0.25 -0.81 -0.31 -0.87 0.00 0.00 176.83 175.14 1rj6 s TYR 20 N -3.65 1.71 0.31 4.77 1.51 0.61 -5.01 117.35 117.60 1rj6 s TYR 20 Ca 0.00 -2.39 0.01 0.00 -1.01 0.00 0.00 57.07 53.69 1rj6 s TYR 20 Cb 0.10 -1.52 0.75 0.00 -0.11 0.00 0.00 41.96 41.18 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 6.22 0.00 -1.18 -1.71 0.11 -1.69 0.79 132.00 134.55 1rj6 h PRO 21 Ca 0.12 -0.00 0.33 0.00 0.11 0.00 0.00 66.00 66.56 1rj6 h PRO 21 Cb 0.90 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.93 1rj6 h PRO 21 CO 0.44 0.00 0.80 1.49 -0.21 0.00 0.00 178.00 180.52 1rj6 h GLU 22 N 0.00 0.18 0.00 1.05 4.57 -1.85 0.23 114.58 118.77 1rj6 h GLU 22 Ca 0.60 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.77 1rj6 h GLU 22 Cb 1.22 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1rj6 h GLU 22 CO -0.94 0.12 0.00 0.00 -1.18 0.00 0.00 179.01 177.02 1rj6 n GLY 24 N -1.06 3.09 3.32 0.00 0.00 0.79 -4.72 105.19 106.61 1rj6 n GLY 24 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 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 0.61 -2.68 0.35 -0.02 0.00 0.93 -4.93 105.19 99.46 1rj6 n GLY 25 Ca 0.24 -1.20 0.14 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.16 1.10 -2.91 1.61 5.75 -1.26 -4.29 116.55 112.38 1rj6 n ASP 26 Ca 0.05 -1.33 -0.13 0.00 -0.01 0.00 0.00 54.79 53.37 1rj6 n ASP 26 Cb 0.56 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.67 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 -0.17 2.02 -1.90 2.12 0.00 -1.26 -4.67 120.51 116.65 1rj6 n ALA 27 Ca 0.20 -2.86 -0.29 0.00 0.00 0.00 0.00 53.44 50.48 1rj6 n ALA 27 Cb 0.30 -0.97 0.08 0.00 0.00 0.00 0.00 19.45 18.85 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 -2.06 2.25 0.09 0.00 -1.52 -1.26 -2.89 119.66 114.28 1rj6 s GLN 28 Ca 0.32 0.18 0.01 0.00 -1.95 0.00 0.00 55.36 53.92 1rj6 s GLN 28 Cb 0.38 -1.99 -0.04 0.00 -0.22 0.00 0.00 33.01 31.14 1rj6 s GLN 28 CO -0.04 -1.40 -0.04 -1.12 -0.25 0.00 0.00 175.29 172.44 1rj6 s SER 29 N -4.51 0.91 1.03 5.90 0.01 -1.26 -4.55 113.70 111.23 1rj6 s SER 29 Ca 0.61 -1.03 -0.13 0.00 1.31 0.00 0.00 55.95 56.71 1rj6 s SER 29 Cb -0.11 0.14 0.17 0.00 0.21 0.00 0.00 66.02 66.43 1rj6 s SER 29 CO 0.49 -0.53 0.93 -0.81 0.41 0.00 0.00 173.24 173.73 1rj6 n PRO 30 N -0.02 -1.23 -4.12 12.44 -0.04 -1.26 -4.46 135.00 136.31 1rj6 n PRO 30 Ca -0.12 -1.44 -0.10 0.00 -0.04 0.00 0.00 63.50 61.80 1rj6 n PRO 30 Cb 0.61 -1.02 -0.09 0.00 -0.04 0.00 0.00 33.50 32.96 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 -2.97 0.08 -0.46 0.52 -4.36 -1.26 0.18 121.20 112.92 1rj6 s ILE 31 Ca 0.54 -1.81 -0.19 0.00 -0.26 0.00 0.00 60.65 58.93 1rj6 s ILE 31 Cb -0.02 -2.08 0.04 0.00 1.25 0.00 0.00 42.46 41.64 1rj6 s ILE 31 CO 0.38 -0.34 0.58 0.21 0.24 0.00 0.00 174.94 176.02 1rj6 s ASN 32 N -3.05 6.25 -0.58 4.36 2.47 -1.26 -2.43 114.94 120.70 1rj6 s ASN 32 Ca 0.25 -0.66 -0.28 0.00 0.42 0.00 0.00 52.86 52.59 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 0.03 -0.78 1.17 -0.63 -3.72 0.00 0.00 177.10 173.17 1rj6 s ILE 33 N 2.57 4.06 -0.53 -5.21 1.01 0.22 -4.85 121.20 118.47 1rj6 s ILE 33 Ca 0.17 0.84 -0.22 0.00 0.00 0.00 0.00 60.65 61.44 1rj6 s ILE 33 Cb -0.17 -4.71 0.05 0.00 0.01 0.00 0.00 42.46 37.64 1rj6 s ILE 33 CO 0.15 -1.31 0.80 -1.58 0.00 0.00 0.00 174.94 173.00 1rj6 s GLN 34 N 4.84 3.23 0.42 2.79 2.00 -1.26 -0.34 119.66 131.34 1rj6 s GLN 34 Ca 0.42 -0.56 0.25 0.00 -2.00 0.00 0.00 55.36 53.48 1rj6 s GLN 34 Cb -0.08 -4.08 1.39 0.00 0.80 0.00 0.00 33.01 31.04 1rj6 s GLN 34 CO 0.25 -1.38 1.76 1.79 -0.50 0.00 0.00 175.29 177.21 1rj6 h THR 35 N 5.95 0.00 0.00 -0.34 1.35 -1.95 -0.92 112.91 117.00 1rj6 h THR 35 Ca -0.27 0.00 -0.09 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 68.06 1rj6 h THR 35 CO 1.04 0.00 -0.44 -0.78 -0.25 0.00 0.00 175.52 175.09 1rj6 h ASP 36 N 0.00 0.00 0.27 5.36 1.82 -2.02 -3.06 116.42 118.79 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 0.15 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.16 1rj6 h ASP 36 CO 0.00 0.44 -0.43 -1.20 -1.61 0.00 0.00 179.24 176.44 1rj6 n SER 37 N -3.25 0.96 -4.71 2.28 7.64 -0.36 -4.93 113.62 111.26 1rj6 n SER 37 Ca 0.02 -0.76 -0.42 0.00 1.01 0.00 0.00 58.87 58.72 1rj6 n SER 37 Cb 0.68 0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 64.15 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 -2.71 3.24 -0.31 0.44 1.01 -1.16 -4.70 120.40 116.21 1rj6 s VAL 38 Ca 0.18 0.82 -0.14 0.00 0.00 0.00 0.00 61.98 62.83 1rj6 s VAL 38 Cb 0.18 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1rj6 s VAL 38 CO 0.62 0.04 0.34 -0.63 0.00 0.00 0.00 175.10 175.47 1rj6 s ILE 39 N 1.64 5.19 0.21 2.22 1.01 0.05 -4.89 121.20 126.63 1rj6 s ILE 39 Ca 0.67 0.22 -0.30 0.00 0.00 0.00 0.00 60.65 61.23 1rj6 s ILE 39 Cb -0.37 -3.74 -0.10 0.00 0.01 0.00 0.00 42.46 38.26 1rj6 s ILE 39 CO 0.30 0.03 1.45 0.12 0.00 0.00 0.00 174.94 176.84 1rj6 s PHE 40 N 2.00 3.08 -0.40 3.97 5.36 -1.26 -1.87 117.98 128.85 1rj6 s PHE 40 Ca 0.12 0.96 0.01 0.00 -0.96 0.00 0.00 56.93 57.06 1rj6 s PHE 40 Cb -0.16 -3.80 0.13 0.00 -0.34 0.00 0.00 43.02 38.84 1rj6 s PHE 40 CO 0.11 -2.70 0.21 0.34 -1.46 0.00 0.00 175.22 171.72 1rj6 s ASP 41 N 0.59 3.57 0.12 6.13 2.15 -0.66 -4.89 116.67 123.68 1rj6 s ASP 41 Ca 0.62 -2.36 0.06 0.00 0.43 0.00 0.00 52.55 51.30 1rj6 s ASP 41 Cb -0.41 -0.87 0.35 0.00 -0.30 0.00 0.00 42.92 41.69 1rj6 s ASP 41 CO 0.39 -0.30 1.12 -0.81 -0.17 0.00 0.00 175.17 175.39 1rj6 n PRO 42 N 3.87 0.04 0.00 4.34 -0.04 -1.26 -0.96 135.00 140.99 1rj6 n PRO 42 Ca 0.07 0.48 0.11 0.00 -0.04 0.00 0.00 63.50 64.12 1rj6 n PRO 42 Cb 0.36 -1.75 0.08 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.68 1.19 -4.60 3.54 8.00 -1.26 -4.88 116.55 116.85 1rj6 n ASP 43 Ca -0.00 -0.97 -0.43 0.00 0.71 0.00 0.00 54.79 54.10 1rj6 n ASP 43 Cb 0.13 0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 41.74 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 -2.77 3.48 0.46 0.64 1.43 -0.14 -4.93 118.68 116.85 1rj6 s LEU 44 Ca 0.14 1.71 -0.24 0.00 -1.03 0.00 0.00 54.13 54.72 1rj6 s LEU 44 Cb 0.17 -3.52 -0.07 0.00 0.03 0.00 0.00 46.19 42.81 1rj6 s LEU 44 CO 0.69 -1.86 1.28 -2.16 0.23 0.00 0.00 176.35 174.53 1rj6 s PRO 45 N 6.09 3.67 0.27 1.29 0.04 -1.26 -4.93 135.00 140.16 1rj6 s PRO 45 Ca 0.94 2.08 -0.31 0.00 0.04 0.00 0.00 61.00 63.75 1rj6 s PRO 45 Cb -0.30 -2.51 -0.12 0.00 0.04 0.00 0.00 34.50 31.61 1rj6 s PRO 45 CO 0.35 -0.72 1.55 0.00 0.04 0.00 0.00 177.00 178.22 1rj6 n ALA 46 N -0.38 2.11 -2.27 8.56 0.00 -1.26 -4.88 120.51 122.39 1rj6 n ALA 46 Ca 0.07 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.48 1rj6 n ALA 46 Cb 0.45 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 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 0.09 3.79 -0.17 0.00 1.01 -1.26 -4.38 120.40 119.47 1rj6 s VAL 47 Ca 0.66 1.35 -0.05 0.00 0.00 0.00 0.00 61.98 63.94 1rj6 s VAL 47 Cb -0.55 -3.86 0.07 0.00 0.00 0.00 0.00 36.38 32.04 1rj6 s VAL 47 CO 0.47 0.14 0.12 0.00 0.00 0.00 0.00 175.10 175.83 1rj6 s GLN 48 N 0.66 0.09 -0.54 2.72 -2.07 -0.75 -4.98 119.66 114.79 1rj6 s GLN 48 Ca 0.58 0.00 -0.28 0.00 -1.82 0.00 0.00 55.36 53.83 1rj6 s GLN 48 Cb -0.31 -1.64 0.02 0.00 -1.09 0.00 0.00 33.01 29.99 1rj6 s GLN 48 CO 0.32 -0.66 1.25 -2.14 -1.32 0.00 0.00 175.29 172.74 1rj6 s PRO 49 N 2.19 3.52 -0.40 9.60 0.02 -1.26 -1.76 135.00 146.90 1rj6 s PRO 49 Ca 0.03 0.43 -0.29 0.00 0.02 0.00 0.00 61.00 61.19 1rj6 s PRO 49 Cb -0.16 -4.02 0.01 0.00 0.02 0.00 0.00 34.50 30.35 1rj6 s PRO 49 CO -0.10 -1.66 1.45 -1.01 -0.33 0.00 0.00 177.00 175.36 1rj6 s HIS 50 N 5.13 2.34 -1.09 6.54 3.76 -0.65 -4.03 115.29 127.29 1rj6 s HIS 50 Ca 0.48 0.67 -0.12 0.00 -0.15 0.00 0.00 55.06 55.94 1rj6 s HIS 50 Cb -0.09 -4.28 -0.04 0.00 1.11 0.00 0.00 32.58 29.29 1rj6 s HIS 50 CO 0.28 -2.09 0.87 0.41 -0.85 0.00 0.00 174.74 173.35 1rj6 n GLY 50 N 5.09 -1.08 0.93 -2.22 0.00 -1.26 -3.74 105.19 102.91 1rj6 n GLY 50 Ca 0.17 0.52 0.07 0.00 0.00 0.00 0.00 46.02 46.78 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 -3.65 0.72 0.30 1.61 4.02 -1.26 -2.80 117.16 116.11 1rj6 n TYR 51 Ca -0.08 -0.33 0.04 0.00 -0.01 0.00 0.00 57.90 57.51 1rj6 n TYR 51 Cb 0.61 -0.06 0.03 0.00 -0.02 0.00 0.00 39.34 39.90 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 0.77 1.54 -3.88 7.72 3.85 -1.26 0.08 116.55 125.37 1rj6 n ASP 52 Ca 0.16 -1.27 -0.34 0.00 -0.71 0.00 0.00 54.79 52.63 1rj6 n ASP 52 Cb 0.46 0.05 -0.06 0.00 -1.35 0.00 0.00 41.12 40.21 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 0.33 2.82 -0.27 0.11 1.13 -1.12 -4.40 117.38 115.98 1rj6 n GLN 53 Ca 0.04 -4.55 0.07 0.00 -1.94 0.00 0.00 57.00 50.62 1rj6 n GLN 53 Cb 0.18 -2.37 0.22 0.00 0.11 0.00 0.00 30.24 28.37 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 1.69 2.69 0.00 1.08 4.77 -1.26 -4.88 117.00 121.08 1rj6 n LEU 54 Ca 0.25 -1.35 0.00 0.00 -0.03 0.00 0.00 56.01 54.88 1rj6 n LEU 54 Cb 0.37 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1rj6 n LEU 54 CO 0.42 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1rj6 n GLY 54 N 1.20 -0.13 0.04 -0.72 0.00 -1.26 -4.62 105.19 99.69 1rj6 n GLY 54 Ca 0.16 -1.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.05 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 0.41 -2.00 2.61 -1.04 -1.26 -4.85 114.28 108.15 1rj6 n THR 54 Ca 0.00 -0.17 -0.40 0.00 -2.04 0.00 0.00 64.05 61.44 1rj6 n THR 54 Cb 0.00 -0.77 -0.00 0.00 -1.82 0.00 0.00 70.33 67.74 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 -2.14 3.98 0.47 -2.82 2.02 -1.26 -4.69 118.70 114.26 1rj6 s GLU 55 Ca -0.09 2.24 -0.23 0.00 0.02 0.00 0.00 54.97 56.91 1rj6 s GLU 55 Cb 0.02 -2.80 -0.09 0.00 0.10 0.00 0.00 34.13 31.37 1rj6 s GLU 55 CO 0.17 -0.51 1.06 -2.30 0.02 0.00 0.00 175.26 173.70 1rj6 n PRO 56 N 0.19 1.36 -3.77 0.39 -0.02 -1.26 -4.48 135.00 127.40 1rj6 n PRO 56 Ca 0.03 0.49 -0.33 0.00 -2.02 0.00 0.00 63.50 61.68 1rj6 n PRO 56 Cb 0.43 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 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 -1.24 4.33 -0.28 2.45 1.43 -0.35 -4.85 118.68 120.17 1rj6 s LEU 57 Ca 0.66 0.50 -0.23 0.00 -1.03 0.00 0.00 54.13 54.03 1rj6 s LEU 57 Cb -0.50 -2.95 -0.00 0.00 0.03 0.00 0.00 46.19 42.77 1rj6 s LEU 57 CO 0.54 0.17 0.78 -1.81 0.23 0.00 0.00 176.35 176.26 1rj6 s ASP 58 N -2.13 6.70 -0.32 2.29 1.11 -1.26 -1.22 116.67 121.84 1rj6 s ASP 58 Ca 0.34 0.78 -0.09 0.00 0.18 0.00 0.00 52.55 53.76 1rj6 s ASP 58 Cb -0.13 -2.41 0.01 0.00 1.07 0.00 0.00 42.92 41.46 1rj6 s ASP 58 CO 0.22 -0.56 0.13 -0.22 1.18 0.00 0.00 175.17 175.92 1rj6 s LEU 59 N 2.87 4.14 0.34 1.23 2.96 0.56 -0.67 118.68 130.11 1rj6 s LEU 59 Ca 0.32 -0.73 0.09 0.00 -0.22 0.00 0.00 54.13 53.60 1rj6 s LEU 59 Cb -0.15 -1.95 -0.06 0.00 0.50 0.00 0.00 46.19 44.54 1rj6 s LEU 59 CO 0.10 -0.24 -0.01 -2.28 -1.32 0.00 0.00 176.35 172.60 1rj6 s HIS 60 N 1.54 2.51 -0.24 5.38 2.46 0.13 -1.31 115.29 125.77 1rj6 s HIS 60 Ca 0.03 -0.45 0.01 0.00 0.47 0.00 0.00 55.06 55.11 1rj6 s HIS 60 Cb -0.18 -1.47 0.07 0.00 -0.13 0.00 0.00 32.58 30.87 1rj6 s HIS 60 CO 0.05 0.50 -0.03 1.21 -2.47 0.00 0.00 174.74 174.00 1rj6 s ASN 61 N -3.69 3.85 0.01 9.88 3.84 -1.04 -1.68 114.94 126.11 1rj6 s ASN 61 Ca 0.34 -1.25 -0.14 0.00 0.21 0.00 0.00 52.86 52.02 1rj6 s ASN 61 Cb 0.01 -1.14 -0.08 0.00 -0.55 0.00 0.00 41.25 39.49 1rj6 s ASN 61 CO 0.19 -0.27 0.99 0.78 -2.79 0.00 0.00 177.10 176.00 1rj6 h ASN 62 N 7.96 -0.42 0.00 -4.21 -0.26 -1.50 0.33 115.58 117.48 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 0.11 0.00 0.00 -1.06 0.00 0.00 38.32 38.44 1rj6 h ASN 62 CO 0.42 -0.25 0.00 0.61 -1.06 0.00 0.00 177.43 177.15 1rj6 n GLY 63 N -0.61 0.58 0.01 2.83 0.00 -1.26 -3.83 105.19 102.91 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 -0.26 0.01 0.00 -0.00 0.00 0.00 29.99 29.74 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 -1.92 0.00 -3.96 1.59 5.66 -1.26 -4.87 114.28 109.52 1rj6 n THR 65 Ca -0.03 -0.22 -0.35 0.00 -3.05 0.00 0.00 64.05 60.39 1rj6 n THR 65 Cb 0.33 0.49 -0.14 0.00 -1.55 0.00 0.00 70.33 69.46 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 3.39 -0.04 1.08 0.11 -1.26 -1.20 120.40 120.39 1rj6 s VAL 66 Ca 0.21 -0.49 0.06 0.00 -2.93 0.00 0.00 61.98 58.83 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 0.43 -0.23 -1.58 -3.33 0.00 0.00 175.10 170.40 1rj6 s GLN 67 N 1.38 2.37 -0.09 1.54 0.74 -0.68 -3.24 119.66 121.69 1rj6 s GLN 67 Ca 0.05 -0.87 0.03 0.00 0.05 0.00 0.00 55.36 54.62 1rj6 s GLN 67 Cb -0.14 -2.16 -0.01 0.00 1.10 0.00 0.00 33.01 31.80 1rj6 s GLN 67 CO -0.03 0.50 -0.21 -1.17 -0.55 0.00 0.00 175.29 173.83 1rj6 s LEU 68 N -0.44 2.28 0.58 3.68 2.96 0.12 -0.69 118.68 127.16 1rj6 s LEU 68 Ca 0.05 -0.47 -0.16 0.00 -0.22 0.00 0.00 54.13 53.33 1rj6 s LEU 68 Cb -0.12 -1.46 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 1rj6 s LEU 68 CO 0.01 0.20 1.05 -0.44 -1.32 0.00 0.00 176.35 175.84 1rj6 s SER 69 N 0.14 5.91 0.02 3.68 0.01 0.15 -1.89 113.70 121.73 1rj6 s SER 69 Ca -0.11 1.80 0.04 0.00 1.31 0.00 0.00 55.95 58.98 1rj6 s SER 69 Cb -0.16 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 1rj6 s SER 69 CO 0.06 -1.08 -0.11 -0.76 0.41 0.00 0.00 173.24 171.76 1rj6 s LEU 70 N -4.40 2.14 0.53 2.44 1.43 -0.69 -4.52 118.68 115.61 1rj6 s LEU 70 Ca 0.63 -0.37 -0.21 0.00 -1.03 0.00 0.00 54.13 53.15 1rj6 s LEU 70 Cb -0.15 -0.47 -0.05 0.00 0.03 0.00 0.00 46.19 45.54 1rj6 s LEU 70 CO 0.35 0.01 1.21 -2.84 0.23 0.00 0.00 176.35 175.31 1rj6 s PRO 71 N -0.91 3.33 0.00 1.29 0.02 -1.26 -4.71 135.00 132.75 1rj6 s PRO 71 Ca 0.00 1.85 0.15 0.00 0.02 0.00 0.00 61.00 63.02 1rj6 s PRO 71 Cb -0.07 -2.16 0.91 0.00 0.02 0.00 0.00 34.50 33.21 1rj6 s PRO 71 CO 0.01 -0.93 1.34 -2.30 -0.33 0.00 0.00 177.00 174.79 1rj6 n PRO 72 N -1.07 0.58 0.04 5.54 -0.02 -1.26 -2.63 135.00 136.17 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 -1.41 0.38 0.00 -0.02 0.00 0.00 33.50 32.93 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 -0.91 0.22 -2.63 3.45 -2.24 -1.26 -4.75 114.28 106.16 1rj6 n THR 76 Ca 0.11 -0.13 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 1rj6 n THR 76 Cb 0.05 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.00 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 -3.65 3.99 -0.19 3.22 1.43 -1.08 -4.95 118.68 117.44 1rj6 s LEU 77 Ca 0.11 1.17 -0.00 0.00 -1.03 0.00 0.00 54.13 54.38 1rj6 s LEU 77 Cb 0.16 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.85 1rj6 s LEU 77 CO 0.63 -0.82 -0.16 -1.00 0.23 0.00 0.00 176.35 175.23 1rj6 s HIS 78 N 3.54 2.85 -0.35 0.29 3.76 -1.25 -1.72 115.29 122.41 1rj6 s HIS 78 Ca 0.46 -1.53 -0.22 0.00 -0.15 0.00 0.00 55.06 53.62 1rj6 s HIS 78 Cb -0.13 -1.96 0.00 0.00 1.11 0.00 0.00 32.58 31.59 1rj6 s HIS 78 CO 0.13 -0.76 0.70 -1.17 -0.85 0.00 0.00 174.74 172.79 1rj6 s LEU 79 N 1.32 4.19 0.40 0.89 2.96 0.32 -1.64 118.68 127.12 1rj6 s LEU 79 Ca 0.04 0.29 0.08 0.00 -0.22 0.00 0.00 54.13 54.32 1rj6 s LEU 79 Cb -0.14 -2.90 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 1rj6 s LEU 79 CO -0.10 -0.63 0.30 -0.83 -1.32 0.00 0.00 176.35 173.76 1rj6 s GLY 80 N 1.78 2.11 0.00 7.98 0.00 -0.72 -3.08 107.32 115.38 1rj6 s GLY 80 Ca 0.28 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1rj6 s GLY 80 CO 0.15 -1.73 0.00 0.61 0.00 0.00 0.00 173.10 172.13 1rj6 n GLY 81 N -1.41 0.72 3.66 0.20 0.00 -1.26 -1.82 105.19 105.29 1rj6 n GLY 81 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 3.02 0.30 0.99 1.43 -1.26 -4.55 118.68 118.61 1rj6 s LEU 84 Ca 0.00 -1.04 0.05 0.00 -1.03 0.00 0.00 54.13 52.11 1rj6 s LEU 84 Cb 0.00 -1.35 0.72 0.00 0.03 0.00 0.00 46.19 45.59 1rj6 s LEU 84 CO 0.00 -0.35 1.78 -0.65 0.23 0.00 0.00 176.35 177.37 1rj6 h PRO 85 N 1.69 0.77 -5.48 1.29 0.11 -1.98 -3.43 132.00 124.97 1rj6 h PRO 85 Ca -0.43 -0.05 -0.60 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 32.06 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 -5.87 1.92 -0.28 1.05 0.52 -1.26 -5.11 118.95 109.92 1rj6 s ARG 86 Ca -0.11 -2.11 -0.19 0.00 -0.52 0.00 0.00 55.73 52.80 1rj6 s ARG 86 Cb 0.25 -1.42 -0.02 0.00 0.52 0.00 0.00 34.95 34.28 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 -3.77 3.99 0.12 3.54 1.02 -1.26 -4.86 119.74 118.51 1rj6 s LYS 87 Ca 0.31 0.30 0.05 0.00 0.02 0.00 0.00 55.97 56.65 1rj6 s LYS 87 Cb 0.08 -3.68 -0.04 0.00 -0.52 0.00 0.00 37.83 33.67 1rj6 s LYS 87 CO 0.15 -0.44 0.03 0.71 -0.92 0.00 0.00 175.35 174.89 1rj6 s TYR 88 N 2.41 3.01 -0.04 3.18 1.51 -1.18 -3.09 117.35 123.16 1rj6 s TYR 88 Ca 0.22 -0.03 0.06 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 40.17 1rj6 s TYR 88 CO 0.10 0.50 -0.22 0.99 -1.11 0.00 0.00 175.55 175.81 1rj6 s THR 89 N -1.47 1.77 0.33 -0.71 2.01 -0.24 -0.52 115.64 116.82 1rj6 s THR 89 Ca 0.27 -0.93 -0.28 0.00 0.31 0.00 0.00 61.69 61.06 1rj6 s THR 89 Cb -0.11 -1.49 -0.10 0.00 0.01 0.00 0.00 72.50 70.81 1rj6 s THR 89 CO 0.20 0.50 1.27 0.00 -0.69 0.00 0.00 174.62 175.90 1rj6 s ALA 90 N -0.25 3.45 0.05 7.40 0.00 -0.70 -0.91 121.76 130.80 1rj6 s ALA 90 Ca 0.01 1.20 -0.02 0.00 0.00 0.00 0.00 51.96 53.15 1rj6 s ALA 90 Cb -0.11 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 1rj6 s ALA 90 CO 0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 175.76 175.15 1rj6 n ALA 91 N 0.77 2.75 -2.83 0.00 0.00 0.11 -4.54 120.51 116.77 1rj6 n ALA 91 Ca 0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1rj6 n ALA 91 Cb 0.42 0.26 -0.05 0.00 0.00 0.00 0.00 19.45 20.08 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 -2.10 1.77 -0.16 0.00 -2.07 -1.18 -1.71 119.66 114.22 1rj6 s GLN 92 Ca -0.04 -1.68 -0.18 0.00 -1.82 0.00 0.00 55.36 51.65 1rj6 s GLN 92 Cb 0.01 0.42 0.05 0.00 -1.09 0.00 0.00 33.01 32.40 1rj6 s GLN 92 CO 0.05 -0.72 0.49 -1.17 -1.32 0.00 0.00 175.29 172.62 1rj6 s LEU 93 N -3.20 0.14 0.34 2.60 0.20 -0.79 -0.50 118.68 117.46 1rj6 s LEU 93 Ca 0.31 0.88 -0.06 0.00 0.69 0.00 0.00 54.13 55.95 1rj6 s LEU 93 Cb 0.00 1.71 0.01 0.00 -0.43 0.00 0.00 46.19 47.48 1rj6 s LEU 93 CO 0.18 -0.23 0.52 -1.38 -0.29 0.00 0.00 176.35 175.15 1rj6 s HIS 94 N -0.00 0.84 0.27 5.38 -3.43 -0.73 0.10 115.29 117.72 1rj6 s HIS 94 Ca -0.02 -1.15 0.06 0.00 -0.80 0.00 0.00 55.06 53.15 1rj6 s HIS 94 Cb -0.03 0.08 -0.06 0.00 -1.43 0.00 0.00 32.58 31.14 1rj6 s HIS 94 CO 0.02 -1.18 -0.06 -0.51 -2.00 0.00 0.00 174.74 171.01 1rj6 s LEU 95 N -3.18 2.47 0.00 5.38 1.43 -1.20 -1.29 118.68 122.29 1rj6 s LEU 95 Ca 0.27 -1.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.20 1rj6 s LEU 95 Cb -0.01 -0.62 -0.01 0.00 0.03 0.00 0.00 46.19 45.58 1rj6 s LEU 95 CO 0.17 -0.35 -0.05 -1.00 0.23 0.00 0.00 176.35 175.36 1rj6 s HIS 96 N -3.03 0.45 0.26 0.29 3.76 -0.34 -4.61 115.29 112.06 1rj6 s HIS 96 Ca 0.29 -0.16 -0.19 0.00 -0.15 0.00 0.00 55.06 54.86 1rj6 s HIS 96 Cb 0.04 -0.29 0.02 0.00 1.11 0.00 0.00 32.58 33.46 1rj6 s HIS 96 CO 0.12 -0.02 0.65 1.67 -0.85 0.00 0.00 174.74 176.30 1rj6 s TRP 97 N -0.35 -0.07 0.22 1.40 -2.14 -1.05 -1.51 118.94 115.45 1rj6 s TRP 97 Ca -0.01 -0.35 0.01 0.00 2.66 0.00 0.00 56.10 58.42 1rj6 s TRP 97 Cb -0.03 0.56 0.04 0.00 -3.10 0.00 0.00 33.47 30.94 1rj6 s TRP 97 CO -0.00 -1.15 0.30 0.41 -2.66 0.00 0.00 176.95 173.85 1rj6 n GLY 98 N -0.43 1.29 3.89 3.67 0.00 -1.25 -2.34 105.19 110.02 1rj6 n GLY 98 Ca -0.04 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 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 -3.08 3.24 0.13 1.61 -2.07 -1.26 -3.85 119.66 114.37 1rj6 s GLN 99 Ca 0.21 0.42 -0.25 0.00 -1.82 0.00 0.00 55.36 53.92 1rj6 s GLN 99 Cb -0.01 -2.15 -0.06 0.00 -1.09 0.00 0.00 33.01 29.70 1rj6 s GLN 99 CO 0.14 -0.67 1.32 0.54 -1.32 0.00 0.00 175.29 175.30 1rj6 n ARG 100 N -2.71 -0.35 -0.17 9.60 1.74 -1.26 -2.34 116.66 121.17 1rj6 n ARG 100 Ca 0.05 1.30 -0.02 0.00 -0.77 0.00 0.00 57.85 58.41 1rj6 n ARG 100 Cb 0.56 -1.91 0.06 0.00 -1.02 0.00 0.00 32.46 30.14 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 0.46 -0.82 -0.13 0.00 -2.02 -3.44 103.07 97.12 1rj6 h GLY 101 Ca 0.13 0.12 -0.48 0.00 0.00 0.00 0.00 47.33 47.10 1rj6 h GLY 101 CO -0.74 -0.18 0.41 -0.45 0.00 0.00 0.00 176.54 175.57 1rj6 s SER 102 N -5.23 4.89 -0.15 0.19 0.15 -0.99 -5.01 113.70 107.55 1rj6 s SER 102 Ca -0.14 0.96 0.16 0.00 0.70 0.00 0.00 55.95 57.64 1rj6 s SER 102 Cb 0.17 -1.60 0.43 0.00 -1.71 0.00 0.00 66.02 63.31 1rj6 s SER 102 CO 0.72 -1.68 1.20 -0.11 1.20 0.00 0.00 173.24 174.57 1rj6 n LEU 102 N -3.20 2.22 -3.77 3.45 7.94 -1.26 -4.71 117.00 117.67 1rj6 n LEU 102 Ca 0.07 -3.29 -0.29 0.00 -1.11 0.00 0.00 56.01 51.39 1rj6 n LEU 102 Cb 0.59 -0.32 -0.16 0.00 0.53 0.00 0.00 43.42 44.07 1rj6 n LEU 102 CO 0.57 1.13 -0.36 -1.61 -1.11 0.00 0.00 177.39 176.02 1rj6 s GLU 103 N -2.19 0.85 0.00 1.96 2.02 -1.26 -3.47 118.70 116.60 1rj6 s GLU 103 Ca 0.37 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.51 1rj6 s GLU 103 Cb 0.38 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 32.47 1rj6 s GLU 103 CO -0.10 -0.81 0.48 0.41 0.02 0.00 0.00 175.26 175.26 1rj6 n GLY 104 N 4.88 -2.81 3.92 -1.39 0.00 1.00 -4.25 105.19 106.54 1rj6 n GLY 104 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 5.00 -0.24 1.61 1.04 -0.48 -2.51 113.70 118.12 1rj6 s SER 105 Ca 0.00 0.58 0.05 0.00 0.48 0.00 0.00 55.95 57.06 1rj6 s SER 105 Cb 0.00 -1.30 -0.19 0.00 0.10 0.00 0.00 66.02 64.63 1rj6 s SER 105 CO 0.00 -1.49 -0.13 -0.62 0.98 0.00 0.00 173.24 171.98 1rj6 n GLU 106 N -2.88 0.66 -3.11 4.02 1.02 -1.26 -4.85 120.64 114.24 1rj6 n GLU 106 Ca 0.07 0.12 -0.25 0.00 -0.02 0.00 0.00 57.16 57.09 1rj6 n GLU 106 Cb 0.60 -1.53 -0.01 0.00 -0.02 0.00 0.00 31.44 30.48 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 -2.52 3.49 0.22 -0.32 3.76 -1.26 -4.45 115.29 114.22 1rj6 s HIS 107 Ca -0.29 0.48 0.06 0.00 -0.15 0.00 0.00 55.06 55.17 1rj6 s HIS 107 Cb 0.08 -2.06 -0.05 0.00 1.11 0.00 0.00 32.58 31.66 1rj6 s HIS 107 CO 0.66 -0.05 -0.09 -1.01 -0.85 0.00 0.00 174.74 173.40 1rj6 s HIS 108 N -2.47 1.67 -0.15 1.40 3.76 -1.02 -4.55 115.29 113.92 1rj6 s HIS 108 Ca 0.43 -0.69 -0.01 0.00 -0.15 0.00 0.00 55.06 54.64 1rj6 s HIS 108 Cb -0.10 -0.87 0.04 0.00 1.11 0.00 0.00 32.58 32.77 1rj6 s HIS 108 CO 0.39 0.23 -0.04 0.42 -0.85 0.00 0.00 174.74 174.89 1rj6 s ILE 109 N -3.12 0.94 -1.28 0.60 -1.09 -0.46 -0.61 121.20 116.19 1rj6 s ILE 109 Ca 0.24 -0.51 -0.07 0.00 -2.23 0.00 0.00 60.65 58.09 1rj6 s ILE 109 Cb 0.02 -1.15 -0.01 0.00 -1.58 0.00 0.00 42.46 39.75 1rj6 s ILE 109 CO 0.07 0.12 0.65 0.59 -1.23 0.00 0.00 174.94 175.14 1rj6 n ASN 110 N 4.93 -2.38 0.00 3.58 3.02 0.53 -1.54 115.26 123.41 1rj6 n ASN 110 Ca -0.11 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 1rj6 n ASN 110 Cb 0.48 -3.58 0.00 0.00 -0.61 0.00 0.00 39.78 36.07 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 -2.92 -2.67 -4.45 6.41 7.64 -1.26 -4.98 113.62 111.38 1rj6 n SER 111 Ca -0.23 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.31 1rj6 n SER 111 Cb 0.65 -2.09 -0.13 0.00 -1.01 0.00 0.00 64.21 61.63 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 -1.01 3.59 0.25 1.43 2.02 -0.59 -5.04 118.70 119.35 1rj6 s GLU 112 Ca 0.00 -0.55 0.05 0.00 0.02 0.00 0.00 54.97 54.49 1rj6 s GLU 112 Cb 0.00 -2.93 -0.03 0.00 0.10 0.00 0.00 34.13 31.27 1rj6 s GLU 112 CO 0.00 0.13 0.34 0.00 0.02 0.00 0.00 175.26 175.75 1rj6 s ALA 113 N 0.64 3.89 0.51 5.21 0.00 -1.26 -1.36 121.76 129.40 1rj6 s ALA 113 Ca -0.02 -1.28 0.05 0.00 0.00 0.00 0.00 51.96 50.71 1rj6 s ALA 113 Cb -0.14 -1.66 0.05 0.00 0.00 0.00 0.00 23.12 21.37 1rj6 s ALA 113 CO 0.02 0.22 0.42 0.25 0.00 0.00 0.00 175.76 176.68 1rj6 n THR 114 N -1.39 0.00 0.01 0.00 -2.24 -1.26 -4.86 114.28 104.54 1rj6 n THR 114 Ca -0.08 -1.99 0.03 0.00 -2.27 0.00 0.00 64.05 59.73 1rj6 n THR 114 Cb 0.57 -0.12 0.38 0.00 -2.10 0.00 0.00 70.33 69.06 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 0.62 1.59 -2.80 6.98 0.00 -1.39 0.32 119.26 124.57 1rj6 h ALA 115 Ca -0.31 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.60 1rj6 h ALA 115 Cb 1.18 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 1rj6 h ALA 115 CO 0.49 0.33 0.31 0.00 0.00 0.00 0.00 179.25 180.38 1rj6 s ALA 116 N -5.28 -1.32 -0.00 0.00 0.00 -0.93 -2.75 121.76 111.47 1rj6 s ALA 116 Ca -0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 51.96 51.67 1rj6 s ALA 116 Cb 0.17 0.78 0.00 0.00 0.00 0.00 0.00 23.12 24.07 1rj6 s ALA 116 CO 0.74 -1.04 0.01 -2.00 0.00 0.00 0.00 175.76 173.47 1rj6 s GLU 117 N -3.62 -0.00 -0.10 0.00 2.12 -0.57 0.20 118.70 116.73 1rj6 s GLU 117 Ca 0.12 0.02 -0.03 0.00 0.36 0.00 0.00 54.97 55.43 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 -0.01 0.03 -1.17 -0.54 0.00 0.00 175.26 173.62 1rj6 s LEU 118 N 0.09 3.73 -0.11 2.70 2.96 0.12 -1.20 118.68 126.97 1rj6 s LEU 118 Ca -0.01 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 1rj6 s LEU 118 Cb -0.01 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.82 1rj6 s LEU 118 CO -0.00 0.35 -0.12 -1.00 -1.32 0.00 0.00 176.35 174.27 1rj6 s HIS 119 N -0.72 1.72 -0.30 5.38 3.76 -0.41 -0.88 115.29 123.83 1rj6 s HIS 119 Ca 0.12 -0.83 -0.05 0.00 -0.15 0.00 0.00 55.06 54.15 1rj6 s HIS 119 Cb -0.12 -1.31 0.03 0.00 1.11 0.00 0.00 32.58 32.29 1rj6 s HIS 119 CO 0.02 -0.48 0.06 0.08 -0.85 0.00 0.00 174.74 173.57 1rj6 s VAL 120 N 1.26 3.62 -0.15 -0.90 1.01 -0.40 -1.78 120.40 123.07 1rj6 s VAL 120 Ca -0.02 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 60.83 1rj6 s VAL 120 Cb -0.14 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1rj6 s VAL 120 CO -0.04 -0.00 0.44 -0.69 0.00 0.00 0.00 175.10 174.80 1rj6 s VAL 121 N 1.41 5.20 0.34 2.92 1.01 0.34 -1.23 120.40 130.40 1rj6 s VAL 121 Ca -0.00 0.84 0.07 0.00 0.00 0.00 0.00 61.98 62.90 1rj6 s VAL 121 Cb -0.18 -3.78 -0.07 0.00 0.00 0.00 0.00 36.38 32.36 1rj6 s VAL 121 CO 0.01 0.30 -0.04 -1.00 0.00 0.00 0.00 175.10 174.37 1rj6 s HIS 122 N 0.89 2.27 0.02 5.22 3.76 0.99 0.06 115.29 128.49 1rj6 s HIS 122 Ca 0.23 -0.65 -0.06 0.00 -0.15 0.00 0.00 55.06 54.43 1rj6 s HIS 122 Cb -0.15 -1.41 -0.01 0.00 1.11 0.00 0.00 32.58 32.13 1rj6 s HIS 122 CO 0.09 0.40 0.10 1.52 -0.85 0.00 0.00 174.74 176.00 1rj6 s TYR 123 N -2.82 0.13 -1.16 1.40 -0.85 -0.09 -2.21 117.35 111.75 1rj6 s TYR 123 Ca 0.33 -0.32 -0.23 0.00 -0.52 0.00 0.00 57.07 56.33 1rj6 s TYR 123 Cb 0.06 -0.10 -0.07 0.00 0.38 0.00 0.00 41.96 42.22 1rj6 s TYR 123 CO 0.16 -0.31 1.92 0.34 -1.52 0.00 0.00 175.55 176.14 1rj6 s ASP 124 N -1.68 5.15 0.26 -0.18 3.68 -0.35 -1.08 116.67 122.46 1rj6 s ASP 124 Ca -0.11 -1.61 0.23 0.00 2.13 0.00 0.00 52.55 53.19 1rj6 s ASP 124 Cb -0.05 -2.59 0.98 0.00 -1.45 0.00 0.00 42.92 39.81 1rj6 s ASP 124 CO -0.01 -2.94 1.71 -1.54 0.13 0.00 0.00 175.17 172.52 1rj6 n SER 125 N 13.99 0.66 0.01 -0.34 3.41 -1.18 -1.17 113.62 128.99 1rj6 n SER 125 Ca 0.44 0.66 -0.05 0.00 -0.26 0.00 0.00 58.87 59.67 1rj6 n SER 125 Cb 0.47 -0.80 0.15 0.00 -0.26 0.00 0.00 64.21 63.76 1rj6 n SER 125 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1rj6 h GLN 126 N 0.00 0.51 0.00 4.33 4.15 -1.85 -3.33 115.11 118.92 1rj6 h GLN 126 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1rj6 h GLN 126 Cb 0.36 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1rj6 h GLN 126 CO 0.00 0.79 -0.71 0.43 -1.93 0.00 0.00 178.83 177.40 1rj6 n SER 127 N -4.06 1.24 -4.18 -0.69 7.64 -0.90 -5.05 113.62 107.63 1rj6 n SER 127 Ca -0.01 -0.47 -0.11 0.00 1.01 0.00 0.00 58.87 59.29 1rj6 n SER 127 Cb 0.47 1.13 -0.10 0.00 -1.01 0.00 0.00 64.21 64.69 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 -2.04 0.96 -0.13 1.43 1.51 -0.32 -5.08 117.35 113.69 1rj6 s TYR 128 Ca 0.01 -1.07 0.19 0.00 -1.01 0.00 0.00 57.07 55.20 1rj6 s TYR 128 Cb 0.06 -0.56 -0.20 0.00 -0.11 0.00 0.00 41.96 41.15 1rj6 s TYR 128 CO 0.35 -0.31 0.61 -1.13 -1.11 0.00 0.00 175.55 173.95 1rj6 n SER 129 N -0.12 0.44 -4.30 2.29 3.41 -1.26 -4.29 113.62 109.79 1rj6 n SER 129 Ca -0.08 0.19 -0.16 0.00 -0.26 0.00 0.00 58.87 58.55 1rj6 n SER 129 Cb 0.63 0.90 -0.10 0.00 -0.26 0.00 0.00 64.21 65.38 1rj6 n SER 129 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1rj6 s SER 130 N -5.29 1.66 0.30 4.04 1.04 -1.26 -5.03 113.70 109.16 1rj6 s SER 130 Ca -0.05 -1.20 0.06 0.00 0.48 0.00 0.00 55.95 55.24 1rj6 s SER 130 Cb 0.10 0.04 0.48 0.00 0.10 0.00 0.00 66.02 66.74 1rj6 s SER 130 CO 0.84 -0.52 1.72 0.25 0.98 0.00 0.00 173.24 176.51 1rj6 h LEU 131 N 2.54 0.27 -0.06 2.42 5.85 -1.98 -2.78 115.31 121.58 1rj6 h LEU 131 Ca -0.38 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 1rj6 h LEU 131 Cb 1.22 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 1rj6 h LEU 131 CO 0.64 0.62 -0.06 0.77 -0.34 0.00 0.00 178.44 180.07 1rj6 h SER 132 N 0.23 0.15 -0.66 1.25 4.64 -1.98 -1.46 113.55 115.72 1rj6 h SER 132 Ca 0.03 -0.49 0.14 0.00 -0.47 0.00 0.00 61.79 60.99 1rj6 h SER 132 Cb 0.76 -0.04 -0.11 0.00 -0.31 0.00 0.00 62.40 62.70 1rj6 h SER 132 CO 0.06 0.61 0.04 -0.08 -0.87 0.00 0.00 176.83 176.59 1rj6 h GLU 133 N -0.31 0.14 0.00 4.77 4.81 -1.93 0.40 114.58 122.46 1rj6 h GLU 133 Ca 0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1rj6 h GLU 133 Cb 0.57 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1rj6 h GLU 133 CO 0.01 0.09 -0.00 0.00 -0.73 0.00 0.00 179.01 178.39 1rj6 n ALA 134 N -2.79 2.32 0.31 2.92 0.00 -1.06 -3.47 120.51 118.74 1rj6 n ALA 134 Ca 0.10 -0.07 0.19 0.00 0.00 0.00 0.00 53.44 53.66 1rj6 n ALA 134 Cb 0.39 -1.47 0.91 0.00 0.00 0.00 0.00 19.45 19.28 1rj6 n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rj6 h ALA 135 N 2.83 1.00 0.00 0.00 0.00 0.94 -2.70 119.26 121.32 1rj6 h ALA 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rj6 h ALA 135 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1rj6 h ALA 135 CO 0.00 0.00 -0.03 1.04 0.00 0.00 0.00 179.25 180.26 1rj6 n GLN 136 N -2.97 1.63 -4.23 0.00 6.02 -1.23 -4.51 117.38 112.09 1rj6 n GLN 136 Ca -0.01 -2.14 -0.33 0.00 -0.01 0.00 0.00 57.00 54.50 1rj6 n GLN 136 Cb 0.18 -1.28 -0.08 0.00 1.02 0.00 0.00 30.24 30.07 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 -2.13 2.94 0.29 -1.09 -0.14 -1.02 -4.99 119.74 113.59 1rj6 s LYS 137 Ca 0.21 -0.51 -0.30 0.00 -1.36 0.00 0.00 55.97 54.01 1rj6 s LYS 137 Cb 0.18 -2.77 -0.12 0.00 -1.68 0.00 0.00 37.83 33.44 1rj6 s LYS 137 CO 0.02 0.65 1.51 -2.30 -0.76 0.00 0.00 175.35 174.47 1rj6 n PRO 138 N 1.51 2.46 -1.47 -1.68 -0.02 -1.26 -0.59 135.00 133.95 1rj6 n PRO 138 Ca -0.15 0.87 -0.16 0.00 -2.02 0.00 0.00 63.50 62.04 1rj6 n PRO 138 Cb 0.53 -2.60 -0.07 0.00 -0.02 0.00 0.00 33.50 31.34 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 1.83 -1.41 0.06 -0.52 1.13 -1.16 -4.83 117.38 112.48 1rj6 n GLN 139 Ca 0.08 0.99 -0.03 0.00 -1.94 0.00 0.00 57.00 56.10 1rj6 n GLN 139 Cb 0.35 -5.30 0.20 0.00 0.11 0.00 0.00 30.24 25.60 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 0.39 -2.63 1.08 0.00 -0.10 -3.44 103.07 98.37 1rj6 h GLY 140 Ca -0.34 -0.36 -0.56 0.00 0.00 0.00 0.00 47.33 46.07 1rj6 h GLY 140 CO 0.49 0.33 -0.65 1.08 0.00 0.00 0.00 176.54 177.79 1rj6 s LEU 141 N -8.40 3.17 -0.10 3.11 1.43 -0.66 -1.21 118.68 116.01 1rj6 s LEU 141 Ca -0.06 -0.64 -0.04 0.00 -1.03 0.00 0.00 54.13 52.36 1rj6 s LEU 141 Cb 0.13 -1.70 0.05 0.00 0.03 0.00 0.00 46.19 44.70 1rj6 s LEU 141 CO 0.79 0.01 0.22 0.00 0.23 0.00 0.00 176.35 177.60 1rj6 s ALA 142 N -2.27 -0.43 -0.02 4.21 0.00 -0.94 -1.32 121.76 120.98 1rj6 s ALA 142 Ca 0.31 0.84 0.07 0.00 0.00 0.00 0.00 51.96 53.18 1rj6 s ALA 142 Cb -0.07 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 1rj6 s ALA 142 CO 0.19 -0.43 -0.23 0.08 0.00 0.00 0.00 175.76 175.37 1rj6 s VAL 143 N 1.88 1.86 -0.21 0.00 1.01 -1.16 -0.01 120.40 123.78 1rj6 s VAL 143 Ca -0.03 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 1rj6 s VAL 143 Cb -0.11 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1rj6 s VAL 143 CO -0.08 0.53 0.10 -0.76 0.00 0.00 0.00 175.10 174.89 1rj6 s LEU 144 N -0.47 3.86 -0.27 3.92 1.43 -0.37 -2.21 118.68 124.57 1rj6 s LEU 144 Ca 0.07 0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.16 1rj6 s LEU 144 Cb -0.10 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1rj6 s LEU 144 CO -0.00 0.11 0.04 -0.83 0.23 0.00 0.00 176.35 175.90 1rj6 s GLY 145 N 0.77 1.73 -0.23 -3.19 0.00 0.53 -1.28 107.32 105.66 1rj6 s GLY 145 Ca 0.05 -1.38 -0.06 0.00 0.00 0.00 0.00 44.72 43.33 1rj6 s GLY 145 CO 0.02 0.59 0.02 -0.42 0.00 0.00 0.00 173.10 173.31 1rj6 s ILE 146 N 1.48 3.94 0.15 0.90 1.09 -0.06 -2.31 121.20 126.39 1rj6 s ILE 146 Ca 0.03 -0.30 -0.27 0.00 -1.10 0.00 0.00 60.65 59.01 1rj6 s ILE 146 Cb -0.16 -2.82 -0.07 0.00 -1.06 0.00 0.00 42.46 38.35 1rj6 s ILE 146 CO 0.01 0.39 0.82 -0.76 -0.10 0.00 0.00 174.94 175.29 1rj6 s LEU 147 N 1.43 4.56 -0.10 2.97 1.43 -1.26 0.15 118.68 127.86 1rj6 s LEU 147 Ca 0.05 1.67 0.02 0.00 -1.03 0.00 0.00 54.13 54.84 1rj6 s LEU 147 Cb -0.15 -3.37 -0.01 0.00 0.03 0.00 0.00 46.19 42.69 1rj6 s LEU 147 CO 0.01 0.13 -0.17 -0.63 0.23 0.00 0.00 176.35 175.92 1rj6 s ILE 148 N -0.79 2.77 0.32 -0.59 1.01 0.13 -0.95 121.20 123.11 1rj6 s ILE 148 Ca 0.38 -0.78 0.10 0.00 0.00 0.00 0.00 60.65 60.35 1rj6 s ILE 148 Cb -0.23 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 1rj6 s ILE 148 CO 0.27 0.55 -0.05 -1.61 0.00 0.00 0.00 174.94 174.09 1rj6 s GLU 149 N 0.09 1.98 -0.28 2.79 2.02 0.40 -1.82 118.70 123.89 1rj6 s GLU 149 Ca -0.07 -1.74 -0.23 0.00 0.02 0.00 0.00 54.97 52.95 1rj6 s GLU 149 Cb -0.15 -1.89 -0.00 0.00 0.10 0.00 0.00 34.13 32.18 1rj6 s GLU 149 CO 0.05 0.21 0.76 0.08 0.02 0.00 0.00 175.26 176.38 1rj6 s VAL 150 N -2.50 4.85 0.55 2.63 1.01 -1.26 -1.40 120.40 124.27 1rj6 s VAL 150 Ca 0.33 1.26 0.06 0.00 0.00 0.00 0.00 61.98 63.63 1rj6 s VAL 150 Cb -0.02 -4.09 0.06 0.00 0.00 0.00 0.00 36.38 32.33 1rj6 s VAL 150 CO 0.18 -0.15 0.76 -0.83 0.00 0.00 0.00 175.10 175.06 1rj6 s GLY 151 N 1.52 1.82 -0.08 4.51 0.00 0.40 -4.81 107.32 110.68 1rj6 s GLY 151 Ca 0.32 -1.80 0.11 0.00 0.00 0.00 0.00 44.72 43.35 1rj6 s GLY 151 CO 0.10 -1.43 1.30 1.18 0.00 0.00 0.00 173.10 174.25 1rj6 n GLU 151 N -2.24 2.77 -3.92 2.90 -0.58 -1.26 -3.94 120.64 114.37 1rj6 n GLU 151 Ca 0.12 -1.80 -0.10 0.00 -0.42 0.00 0.00 57.16 54.96 1rj6 n GLU 151 Cb 0.60 -1.68 -0.10 0.00 -0.57 0.00 0.00 31.44 29.69 1rj6 n GLU 151 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1rj6 s THR 152 N -1.76 0.12 0.12 2.62 -1.32 -1.26 -5.02 115.64 109.14 1rj6 s THR 152 Ca 0.32 -0.96 -0.31 0.00 -1.21 0.00 0.00 61.69 59.53 1rj6 s THR 152 Cb 0.21 -0.70 -0.07 0.00 -1.51 0.00 0.00 72.50 70.42 1rj6 s THR 152 CO 0.15 -0.53 1.31 -0.70 -2.21 0.00 0.00 174.62 172.64 1rj6 s GLU 153 N -2.15 4.37 -0.50 7.08 2.56 -1.26 -2.32 118.70 126.48 1rj6 s GLU 153 Ca -0.09 1.98 -0.18 0.00 0.00 0.00 0.00 54.97 56.68 1rj6 s GLU 153 Cb -0.04 -3.26 0.06 0.00 2.00 0.00 0.00 34.13 32.89 1rj6 s GLU 153 CO -0.02 -0.34 0.56 1.21 -0.56 0.00 0.00 175.26 176.11 1rj6 s ASN 154 N 0.91 6.20 0.53 -1.70 3.84 -1.26 -4.91 114.94 118.55 1rj6 s ASN 154 Ca 0.61 -1.05 0.20 0.00 0.21 0.00 0.00 52.86 52.83 1rj6 s ASN 154 Cb -0.35 -2.26 1.36 0.00 -0.55 0.00 0.00 41.25 39.46 1rj6 s ASN 154 CO 0.32 -0.83 2.12 1.55 -2.79 0.00 0.00 177.10 177.47 1rj6 h PRO 155 N 8.93 0.00 0.71 0.43 0.13 -1.95 -2.67 132.00 137.58 1rj6 h PRO 155 Ca -0.28 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 0.95 0.00 -0.34 0.00 -0.23 0.00 0.00 178.00 178.37 1rj6 h ALA 156 N 1.93 -1.14 0.00 -0.56 0.00 -1.92 -2.98 119.26 114.59 1rj6 h ALA 156 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rj6 h ALA 156 Cb 0.26 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1rj6 h ALA 156 CO -0.00 -1.07 0.08 1.88 0.00 0.00 0.00 179.25 180.14 1rj6 h TYR 157 N -1.04 0.00 0.00 0.00 -1.99 -1.82 -1.69 116.97 110.43 1rj6 h TYR 157 Ca -0.10 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.57 1rj6 h TYR 157 Cb 0.73 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.45 1rj6 h TYR 157 CO 0.04 0.00 -0.30 -0.44 -0.00 0.00 0.00 178.16 177.47 1rj6 h ASP 158 N 0.00 0.00 -0.22 3.88 3.32 -1.32 -0.95 116.42 121.13 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 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1rj6 h ASP 158 CO 0.00 0.30 0.40 0.45 -1.72 0.00 0.00 179.24 178.66 1rj6 h HIS 159 N 0.00 0.00 0.00 4.55 3.86 -1.37 -0.08 115.15 122.11 1rj6 h HIS 159 Ca -0.00 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.93 1rj6 h HIS 159 Cb 0.63 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.06 1rj6 h HIS 159 CO 0.00 0.00 -1.87 -0.89 0.86 0.00 0.00 177.93 176.03 1rj6 n ILE 160 N -3.35 1.33 -0.32 2.45 5.41 -0.69 -4.65 119.36 119.53 1rj6 n ILE 160 Ca 0.03 -0.18 0.01 0.00 1.00 0.00 0.00 62.75 63.62 1rj6 n ILE 160 Cb 0.51 -1.94 0.19 0.00 -0.71 0.00 0.00 39.64 37.70 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 -0.83 1.00 -1.85 1.39 3.38 -0.92 -2.51 115.31 114.97 1rj6 h LEU 161 Ca -0.42 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1rj6 h LEU 161 Cb 1.32 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1rj6 h LEU 161 CO -0.25 0.68 0.00 0.28 0.09 0.00 0.00 178.44 179.24 1rj6 h SER 162 N 1.16 0.00 -0.19 -0.43 0.02 -1.26 -2.23 113.55 110.61 1rj6 h SER 162 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1rj6 h SER 162 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1rj6 h SER 162 CO -0.12 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.11 1rj6 n ARG 163 N -2.56 2.55 0.25 3.45 1.74 -0.95 -4.70 116.66 116.44 1rj6 n ARG 163 Ca -0.01 -2.49 0.11 0.00 -0.77 0.00 0.00 57.85 54.69 1rj6 n ARG 163 Cb 0.08 -1.57 0.64 0.00 -1.02 0.00 0.00 32.46 30.60 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 1.25 0.00 -1.14 0.55 3.38 -1.43 -2.90 115.31 115.02 1rj6 h LEU 164 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1rj6 h LEU 164 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1rj6 h LEU 164 CO 0.11 0.16 -0.43 0.45 0.09 0.00 0.00 178.44 178.82 1rj6 h HIS 165 N 0.00 0.01 0.00 1.13 -0.00 -1.84 -2.69 115.15 111.76 1rj6 h HIS 165 Ca -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1rj6 h HIS 165 Cb 0.44 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.85 1rj6 h HIS 165 CO 0.00 0.43 -0.03 0.93 -0.00 0.00 0.00 177.93 179.27 1rj6 h GLU 166 N 0.01 0.00 -0.89 2.45 5.08 -1.88 -3.00 114.58 116.35 1rj6 h GLU 166 Ca -0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.93 1rj6 h GLU 166 Cb 0.76 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.60 1rj6 h GLU 166 CO 0.06 0.03 -0.98 0.44 -1.00 0.00 0.00 179.01 177.55 1rj6 n ILE 167 N -3.26 1.76 -0.25 3.13 -5.35 -1.02 -4.72 119.36 109.64 1rj6 n ILE 167 Ca -0.02 -3.72 -0.00 0.00 -0.27 0.00 0.00 62.75 58.74 1rj6 n ILE 167 Cb 0.17 -0.03 0.12 0.00 -1.74 0.00 0.00 39.64 38.16 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 2.59 0.71 -6.59 6.28 2.43 -1.44 -3.43 114.38 114.94 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 1.24 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1rj6 h ARG 168 CO 0.55 0.47 -0.11 0.71 -1.51 0.00 0.00 179.97 180.08 1rj6 s TYR 169 N -6.07 3.50 0.78 2.20 1.51 -1.26 -0.30 117.35 117.71 1rj6 s TYR 169 Ca -0.13 0.57 -0.15 0.00 -1.01 0.00 0.00 57.07 56.35 1rj6 s TYR 169 Cb 0.17 -2.06 0.02 0.00 -0.11 0.00 0.00 41.96 39.98 1rj6 s TYR 169 CO 0.77 0.07 0.80 1.17 -1.11 0.00 0.00 175.55 177.25 1rj6 n LYS 170 N -1.51 0.22 -0.18 -0.62 4.81 0.50 -2.26 118.16 119.12 1rj6 n LYS 170 Ca -0.02 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1rj6 n LYS 170 Cb 0.55 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 33.50 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 -1.63 0.00 -4.77 3.14 8.00 0.11 -4.63 116.55 116.79 1rj6 n ASP 171 Ca 0.11 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.22 1rj6 n ASP 171 Cb 0.50 -1.75 -0.02 0.00 -0.02 0.00 0.00 41.12 39.83 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 -0.33 4.28 0.38 -1.24 -0.21 -0.96 -4.83 119.66 116.77 1rj6 s GLN 172 Ca 0.00 1.98 0.04 0.00 0.02 0.00 0.00 55.36 57.41 1rj6 s GLN 172 Cb 0.00 -2.93 -0.05 0.00 1.00 0.00 0.00 33.01 31.02 1rj6 s GLN 172 CO 0.00 -0.17 0.05 0.21 -2.12 0.00 0.00 175.29 173.26 1rj6 s LYS 173 N -1.93 1.85 0.00 2.91 2.20 -1.26 -2.50 119.74 121.01 1rj6 s LYS 173 Ca 0.51 -2.07 -0.30 0.00 -0.36 0.00 0.00 55.97 53.76 1rj6 s LYS 173 Cb -0.35 -1.10 0.11 0.00 -1.51 0.00 0.00 37.83 34.99 1rj6 s LYS 173 CO 0.45 -0.23 1.25 -0.08 -0.36 0.00 0.00 175.35 176.38 1rj6 s THR 174 N -3.09 0.00 0.06 3.43 -1.32 -0.43 -4.78 115.64 109.51 1rj6 s THR 174 Ca 0.30 -0.27 0.08 0.00 -1.21 0.00 0.00 61.69 60.59 1rj6 s THR 174 Cb 0.07 -2.02 -0.03 0.00 -1.51 0.00 0.00 72.50 69.01 1rj6 s THR 174 CO 0.14 0.00 -0.22 -0.44 -2.21 0.00 0.00 174.62 171.89 1rj6 s SER 175 N -2.99 2.68 0.14 8.08 0.01 -1.26 -0.33 113.70 120.03 1rj6 s SER 175 Ca 0.14 -0.57 0.07 0.00 1.31 0.00 0.00 55.95 56.90 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 0.17 -0.17 0.68 0.41 0.00 0.00 173.24 174.30 1rj6 s VAL 176 N -0.87 1.61 0.14 3.43 -7.23 -0.36 -4.91 120.40 112.22 1rj6 s VAL 176 Ca 0.09 -1.79 -0.31 0.00 -1.81 0.00 0.00 61.98 58.16 1rj6 s VAL 176 Cb -0.09 -1.68 -0.08 0.00 0.56 0.00 0.00 36.38 35.08 1rj6 s VAL 176 CO 0.02 -0.32 1.38 -2.84 -0.31 0.00 0.00 175.10 173.04 1rj6 s PRO 177 N -2.63 4.33 0.56 4.82 0.02 -1.26 -1.22 135.00 139.61 1rj6 s PRO 177 Ca 0.12 2.09 -0.20 0.00 0.02 0.00 0.00 61.00 63.04 1rj6 s PRO 177 Cb -0.06 -3.23 -0.07 0.00 0.02 0.00 0.00 34.50 31.17 1rj6 s PRO 177 CO 0.05 -0.41 0.88 -0.35 -0.33 0.00 0.00 177.00 176.84 1rj6 n PRO 178 N 3.63 0.91 -3.82 5.54 -0.04 -1.26 -4.85 135.00 135.10 1rj6 n PRO 178 Ca 0.10 0.34 -0.10 0.00 -0.04 0.00 0.00 63.50 63.81 1rj6 n PRO 178 Cb 0.42 -2.04 -0.06 0.00 -0.04 0.00 0.00 33.50 31.79 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 -1.51 0.10 -0.39 0.54 -0.12 -1.26 -5.00 117.98 110.34 1rj6 s PHE 179 Ca 0.71 -0.46 -0.27 0.00 -0.05 0.00 0.00 56.93 56.87 1rj6 s PHE 179 Cb -0.45 0.14 -0.05 0.00 -0.63 0.00 0.00 43.02 42.03 1rj6 s PHE 179 CO 0.51 -0.76 2.19 0.45 -0.05 0.00 0.00 175.22 177.55 1rj6 s SER 180 N -2.90 5.09 0.18 1.98 0.15 -1.26 -4.69 113.70 112.26 1rj6 s SER 180 Ca 0.11 1.29 -0.10 0.00 0.70 0.00 0.00 55.95 57.95 1rj6 s SER 180 Cb 0.02 -2.51 0.09 0.00 -1.71 0.00 0.00 66.02 61.90 1rj6 s SER 180 CO -0.04 -2.34 1.70 0.58 1.20 0.00 0.00 173.24 174.34 1rj6 h VAL 181 N 7.28 1.25 -0.98 4.45 2.07 -0.69 -2.88 116.25 126.75 1rj6 h VAL 181 Ca -0.31 -0.92 0.33 0.00 0.82 0.00 0.00 66.70 66.62 1rj6 h VAL 181 Cb 1.23 0.62 -0.17 0.00 -1.52 0.00 0.00 31.29 31.46 1rj6 h VAL 181 CO 1.08 0.35 0.39 -0.09 0.02 0.00 0.00 177.57 179.32 1rj6 h ARG 182 N 0.94 0.11 0.00 1.57 9.65 -1.63 0.54 114.38 125.56 1rj6 h ARG 182 Ca 0.20 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 1rj6 h ARG 182 Cb 0.35 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 1rj6 h ARG 182 CO 0.00 0.07 0.00 -1.91 2.80 0.00 0.00 179.97 180.94 1rj6 n GLU 183 N -5.25 0.04 0.00 0.20 4.07 -1.09 -1.42 120.64 117.18 1rj6 n GLU 183 Ca 0.31 0.31 0.13 0.00 -0.06 0.00 0.00 57.16 57.84 1rj6 n GLU 183 Cb 1.00 -1.50 0.33 0.00 -0.06 0.00 0.00 31.44 31.21 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 -1.36 1.07 -4.96 4.31 4.77 0.19 -4.78 117.00 116.24 1rj6 n LEU 184 Ca 0.02 -0.29 -0.23 0.00 -0.03 0.00 0.00 56.01 55.48 1rj6 n LEU 184 Cb 0.04 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1rj6 n LEU 184 CO 0.03 0.20 0.04 -0.36 -1.33 0.00 0.00 177.39 175.97 1rj6 s PHE 185 N -2.55 3.47 0.76 -1.77 0.08 -0.51 -4.90 117.98 112.57 1rj6 s PHE 185 Ca 0.23 0.14 -0.14 0.00 0.12 0.00 0.00 56.93 57.27 1rj6 s PHE 185 Cb 0.19 -1.71 0.06 0.00 -0.57 0.00 0.00 43.02 40.99 1rj6 s PHE 185 CO 0.54 0.33 1.19 -1.25 -0.10 0.00 0.00 175.22 175.94 1rj6 s PRO 186 N -4.02 1.96 0.29 0.24 0.04 -1.26 -4.89 135.00 127.36 1rj6 s PRO 186 Ca 0.36 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 63.09 1rj6 s PRO 186 Cb -0.09 -1.82 0.42 0.00 0.04 0.00 0.00 34.50 33.05 1rj6 s PRO 186 CO 0.31 -1.96 1.90 0.37 0.04 0.00 0.00 177.00 177.66 1rj6 h GLN 187 N -0.59 0.96 -4.58 4.56 4.15 -1.94 -3.40 115.11 114.27 1rj6 h GLN 187 Ca -0.47 -0.12 -0.71 0.00 0.77 0.00 0.00 58.65 58.12 1rj6 h GLN 187 Cb 1.29 -0.18 -0.26 0.00 0.21 0.00 0.00 27.48 28.54 1rj6 h GLN 187 CO 0.48 0.74 -0.53 -0.65 -1.93 0.00 0.00 178.83 176.94 1rj6 s GLN 188 N -5.57 2.74 -0.07 1.69 -0.21 -1.26 -4.96 119.66 112.02 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 -3.68 0.68 0.00 1.00 0.00 0.00 33.01 31.17 1rj6 s GLN 188 CO 0.80 -0.73 1.58 1.28 -2.12 0.00 0.00 175.29 176.09 1rj6 n LEU 189 N 4.95 4.35 -0.02 2.90 4.77 -1.26 -4.48 117.00 128.20 1rj6 n LEU 189 Ca -0.12 -2.19 -0.12 0.00 -0.03 0.00 0.00 56.01 53.56 1rj6 n LEU 189 Cb 0.45 -0.54 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 1rj6 n LEU 189 CO 0.36 0.85 0.81 -0.33 -1.33 0.00 0.00 177.39 177.75 1rj6 h GLU 190 N 4.07 0.17 -5.85 3.23 3.07 -1.93 -3.42 114.58 113.91 1rj6 h GLU 190 Ca 0.00 -0.04 -0.59 0.00 -0.50 0.00 0.00 59.36 58.23 1rj6 h GLU 190 Cb 1.25 -0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 29.06 1rj6 h GLU 190 CO 0.15 0.31 0.53 -0.65 -1.40 0.00 0.00 179.01 177.95 1rj6 s GLN 190 N -5.41 4.20 0.25 2.33 -0.21 -1.26 -4.74 119.66 114.82 1rj6 s GLN 190 Ca -0.14 1.03 -0.19 0.00 0.02 0.00 0.00 55.36 56.07 1rj6 s GLN 190 Cb 0.06 -3.64 0.02 0.00 1.00 0.00 0.00 33.01 30.45 1rj6 s GLN 190 CO 0.69 -0.53 0.64 -0.59 -2.12 0.00 0.00 175.29 173.38 1rj6 s PHE 191 N 2.89 -0.13 0.04 0.91 -0.12 -1.26 -1.08 117.98 119.22 1rj6 s PHE 191 Ca 0.37 -0.27 0.09 0.00 -0.05 0.00 0.00 56.93 57.07 1rj6 s PHE 191 Cb -0.15 0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 42.77 1rj6 s PHE 191 CO 0.07 -1.11 -0.25 -0.06 -0.05 0.00 0.00 175.22 173.82 1rj6 s PHE 192 N -3.91 2.35 0.11 3.49 0.40 0.22 -1.45 117.98 119.19 1rj6 s PHE 192 Ca 0.11 -0.40 0.07 0.00 -0.60 0.00 0.00 56.93 56.11 1rj6 s PHE 192 Cb -0.04 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 42.04 1rj6 s PHE 192 CO 0.04 0.12 -0.17 0.50 0.70 0.00 0.00 175.22 176.41 1rj6 s ARG 193 N -1.18 1.04 -0.23 0.44 3.52 -0.08 -0.67 118.95 121.79 1rj6 s ARG 193 Ca 0.12 -1.17 -0.36 0.00 -0.13 0.00 0.00 55.73 54.19 1rj6 s ARG 193 Cb -0.10 -1.08 0.15 0.00 -1.56 0.00 0.00 34.95 32.36 1rj6 s ARG 193 CO 0.02 0.23 1.28 1.52 -0.81 0.00 0.00 175.30 177.54 1rj6 s TYR 194 N -1.64 -0.08 -0.06 5.12 -0.85 -0.76 -2.10 117.35 116.98 1rj6 s TYR 194 Ca 0.06 0.06 -0.23 0.00 -0.52 0.00 0.00 57.07 56.44 1rj6 s TYR 194 Cb -0.08 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 1rj6 s TYR 194 CO 0.04 -0.12 0.70 -0.80 -1.52 0.00 0.00 175.55 173.85 1rj6 s ASN 195 N -1.99 7.00 0.00 -0.18 0.01 -1.26 -0.62 114.94 117.90 1rj6 s ASN 195 Ca 0.10 1.20 0.00 0.00 -0.71 0.00 0.00 52.86 53.45 1rj6 s ASN 195 Cb -0.01 -2.41 0.00 0.00 0.41 0.00 0.00 41.25 39.24 1rj6 s ASN 195 CO -0.04 -0.11 0.00 0.61 -1.51 0.00 0.00 177.10 176.05 1rj6 n GLY 196 N 3.07 4.95 2.06 0.66 0.00 -0.36 -4.90 105.19 110.67 1rj6 n GLY 196 Ca -0.01 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.35 -4.82 1.61 3.41 -1.14 -3.35 113.62 108.97 1rj6 n SER 197 Ca 0.00 -2.41 -0.33 0.00 -0.26 0.00 0.00 58.87 55.88 1rj6 n SER 197 Cb 0.00 1.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.95 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 3.76 -0.03 1.04 1.43 -0.78 -4.47 118.68 119.63 1rj6 s LEU 198 Ca 0.25 1.68 0.13 0.00 -1.03 0.00 0.00 54.13 55.16 1rj6 s LEU 198 Cb 0.01 -4.53 0.42 0.00 0.03 0.00 0.00 46.19 42.13 1rj6 s LEU 198 CO 0.18 -0.58 1.32 0.35 0.23 0.00 0.00 176.35 177.84 1rj6 n THR 199 N -1.19 0.85 -3.89 5.49 -2.24 -1.26 -4.49 114.28 107.55 1rj6 n THR 199 Ca 0.07 -0.66 -0.10 0.00 -2.27 0.00 0.00 64.05 61.09 1rj6 n THR 199 Cb 0.54 0.15 -0.09 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.55 0.12 0.50 4.28 -4.23 -1.26 -4.64 115.64 108.87 1rj6 s THR 200 Ca 0.31 -0.96 -0.20 0.00 -1.18 0.00 0.00 61.69 59.66 1rj6 s THR 200 Cb 0.18 -0.80 -0.10 0.00 1.34 0.00 0.00 72.50 73.12 1rj6 s THR 200 CO 0.18 -0.53 0.69 -2.65 -0.54 0.00 0.00 174.62 171.77 1rj6 n PRO 201 N 0.88 0.75 0.00 3.99 -0.02 -1.26 -0.99 135.00 138.36 1rj6 n PRO 201 Ca -0.20 0.28 0.08 0.00 -2.02 0.00 0.00 63.50 61.64 1rj6 n PRO 201 Cb 0.58 -1.78 0.40 0.00 -0.02 0.00 0.00 33.50 32.68 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 0.03 0.23 -2.12 0.52 -0.02 -1.26 -4.95 135.00 127.43 1rj6 n PRO 202 Ca 0.11 0.13 -0.12 0.00 -2.02 0.00 0.00 63.50 61.60 1rj6 n PRO 202 Cb 0.44 -1.50 -0.01 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 -3.83 1.69 -1.45 0.00 0.53 -1.26 -4.14 117.16 108.69 1rj6 n TYR 204 Ca -0.15 0.63 -0.29 0.00 -1.02 0.00 0.00 57.90 57.08 1rj6 n TYR 204 Cb 0.59 -2.37 -0.07 0.00 -1.03 0.00 0.00 39.34 36.46 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 3.63 3.16 -0.01 -0.72 6.02 -1.26 -1.86 117.38 126.33 1rj6 n GLN 205 Ca 0.22 -2.25 0.05 0.00 -0.01 0.00 0.00 57.00 55.01 1rj6 n GLN 205 Cb 0.15 -2.38 0.05 0.00 1.02 0.00 0.00 30.24 29.09 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 2.12 1.96 -4.89 1.08 3.41 -1.24 -4.74 113.62 111.32 1rj6 n SER 206 Ca 0.58 -1.48 -0.36 0.00 -0.26 0.00 0.00 58.87 57.35 1rj6 n SER 206 Cb 0.50 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.89 5.44 -0.45 -3.33 0.11 -1.21 -1.65 120.40 118.42 1rj6 s VAL 207 Ca 0.13 0.12 -0.11 0.00 -2.93 0.00 0.00 61.98 59.19 1rj6 s VAL 207 Cb 0.09 -3.48 0.09 0.00 -1.53 0.00 0.00 36.38 31.55 1rj6 s VAL 207 CO 0.13 0.49 0.32 -0.22 -3.33 0.00 0.00 175.10 172.49 1rj6 s LEU 208 N -1.41 5.41 0.34 2.54 2.96 -0.44 -1.23 118.68 126.86 1rj6 s LEU 208 Ca 0.21 -1.57 -0.25 0.00 -0.22 0.00 0.00 54.13 52.29 1rj6 s LEU 208 Cb -0.13 -2.04 -0.10 0.00 0.50 0.00 0.00 46.19 44.42 1rj6 s LEU 208 CO 0.11 -0.61 0.95 0.26 -1.32 0.00 0.00 176.35 175.73 1rj6 s TRP 209 N 1.46 3.64 -0.11 5.38 0.52 0.21 -2.99 118.94 127.06 1rj6 s TRP 209 Ca 0.04 1.76 -0.03 0.00 0.02 0.00 0.00 56.10 57.89 1rj6 s TRP 209 Cb -0.24 -2.91 0.05 0.00 -1.15 0.00 0.00 33.47 29.21 1rj6 s TRP 209 CO 0.02 0.17 0.06 0.99 0.02 0.00 0.00 176.95 178.21 1rj6 s THR 210 N -1.69 0.01 -0.21 2.01 2.01 -0.94 -1.83 115.64 115.00 1rj6 s THR 210 Ca 0.52 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.57 1rj6 s THR 210 Cb -0.17 -0.45 0.01 0.00 0.01 0.00 0.00 72.50 71.90 1rj6 s THR 210 CO 0.22 -0.04 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.30 1rj6 s VAL 211 N 2.11 2.63 0.47 3.82 1.01 0.16 -0.34 120.40 130.25 1rj6 s VAL 211 Ca 0.03 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 60.93 1rj6 s VAL 211 Cb -0.14 -2.21 -0.07 0.00 0.00 0.00 0.00 36.38 33.96 1rj6 s VAL 211 CO -0.06 0.41 1.19 -0.36 0.00 0.00 0.00 175.10 176.27 1rj6 s PHE 212 N 1.35 2.82 0.02 5.22 0.40 -0.98 -0.61 117.98 126.21 1rj6 s PHE 212 Ca 0.04 1.52 -0.12 0.00 -0.60 0.00 0.00 56.93 57.77 1rj6 s PHE 212 Cb -0.14 -3.42 -0.33 0.00 0.51 0.00 0.00 43.02 39.63 1rj6 s PHE 212 CO -0.08 -1.64 0.96 -0.97 0.70 0.00 0.00 175.22 174.18 1rj6 h ASN 213 N 2.01 0.69 -4.18 1.36 -1.24 -1.45 -3.44 115.58 109.33 1rj6 h ASN 213 Ca -0.49 -0.80 -0.48 0.00 0.71 0.00 0.00 56.30 55.24 1rj6 h ASN 213 Cb 1.25 -0.23 0.03 0.00 0.73 0.00 0.00 38.32 40.10 1rj6 h ASN 213 CO 0.60 1.64 0.38 -0.13 -1.29 0.00 0.00 177.43 178.62 1rj6 s ARG 214 N -2.61 3.78 0.26 6.67 1.81 -1.26 -5.07 118.95 122.54 1rj6 s ARG 214 Ca -0.09 1.05 0.10 0.00 -1.72 0.00 0.00 55.73 55.07 1rj6 s ARG 214 Cb 0.05 -2.11 -0.04 0.00 -0.45 0.00 0.00 34.95 32.40 1rj6 s ARG 214 CO 0.91 -0.42 -0.03 1.03 -0.68 0.00 0.00 175.30 176.12 1rj6 s ARG 215 N -3.99 2.22 0.15 3.54 3.00 -1.26 -4.65 118.95 117.95 1rj6 s ARG 215 Ca 0.61 -1.45 0.03 0.00 0.00 0.00 0.00 55.73 54.92 1rj6 s ARG 215 Cb -0.12 -2.12 -0.03 0.00 0.00 0.00 0.00 34.95 32.68 1rj6 s ARG 215 CO 0.31 0.37 0.28 0.00 0.00 0.00 0.00 175.30 176.26 1rj6 s ALA 216 N -2.31 3.97 0.03 2.13 0.00 -0.12 -4.63 121.76 120.82 1rj6 s ALA 216 Ca 0.31 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 51.28 1rj6 s ALA 216 Cb -0.06 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.26 1rj6 s ALA 216 CO 0.19 0.53 -0.15 -0.65 0.00 0.00 0.00 175.76 175.68 1rj6 s GLN 217 N -3.25 1.04 0.05 0.00 -0.21 -1.26 -0.45 119.66 115.57 1rj6 s GLN 217 Ca 0.34 -0.73 0.02 0.00 0.02 0.00 0.00 55.36 55.01 1rj6 s GLN 217 Cb -0.11 -1.05 -0.03 0.00 1.00 0.00 0.00 33.01 32.82 1rj6 s GLN 217 CO 0.28 0.27 -0.07 0.96 -2.12 0.00 0.00 175.29 174.61 1rj6 s ILE 218 N -0.74 0.52 0.73 1.08 -4.36 -0.49 -4.58 121.20 113.35 1rj6 s ILE 218 Ca 0.03 -1.25 -0.14 0.00 -0.26 0.00 0.00 60.65 59.02 1rj6 s ILE 218 Cb -0.07 -0.81 0.04 0.00 1.25 0.00 0.00 42.46 42.86 1rj6 s ILE 218 CO 0.01 -0.51 1.18 -0.94 0.24 0.00 0.00 174.94 174.92 1rj6 s SER 219 N -1.90 4.31 0.56 4.36 1.04 -0.98 0.15 113.70 121.25 1rj6 s SER 219 Ca -0.06 2.25 0.24 0.00 0.48 0.00 0.00 55.95 58.86 1rj6 s SER 219 Cb -0.06 -2.58 1.54 0.00 0.10 0.00 0.00 66.02 65.02 1rj6 s SER 219 CO -0.01 -2.18 2.17 -0.03 0.98 0.00 0.00 173.24 174.17 1rj6 h MET 220 N -0.37 0.00 -0.33 4.02 4.05 -1.90 -0.41 114.93 119.99 1rj6 h MET 220 Ca -0.47 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 58.91 1rj6 h MET 220 Cb 1.28 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.07 1rj6 h MET 220 CO 0.50 0.00 0.06 0.78 0.23 0.00 0.00 176.91 178.48 1rj6 h GLY 221 N 0.00 0.59 0.87 1.39 0.00 -1.93 -1.14 103.07 102.85 1rj6 h GLY 221 Ca 0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1rj6 h GLY 221 CO -0.00 0.36 0.05 1.46 0.00 0.00 0.00 176.54 178.41 1rj6 h GLN 222 N 0.38 0.38 -0.50 4.80 4.20 -1.46 0.20 115.11 123.11 1rj6 h GLN 222 Ca 0.10 -0.09 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1rj6 h GLN 222 Cb 0.34 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1rj6 h GLN 222 CO 0.01 0.50 0.34 1.25 -0.67 0.00 0.00 178.83 180.25 1rj6 h LEU 223 N 0.21 0.47 -0.09 1.46 5.85 -1.18 -1.27 115.31 120.76 1rj6 h LEU 223 Ca 0.07 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1rj6 h LEU 223 Cb 0.29 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1rj6 h LEU 223 CO 0.00 0.32 -0.19 -0.33 -0.34 0.00 0.00 178.44 177.90 1rj6 h GLU 224 N 0.55 0.28 -0.04 1.25 5.08 -0.79 -2.01 114.58 118.91 1rj6 h GLU 224 Ca 0.21 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1rj6 h GLU 224 Cb 0.14 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1rj6 h GLU 224 CO -0.05 0.79 0.08 -0.22 -1.00 0.00 0.00 179.01 178.61 1rj6 h LYS 225 N -0.18 0.00 0.03 2.33 3.64 -0.15 0.79 116.57 123.03 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 0.79 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1rj6 h LYS 225 CO 0.04 0.00 -0.69 1.25 -2.27 0.00 0.00 179.45 177.78 1rj6 h LEU 226 N 0.00 0.09 -0.36 5.20 5.85 -1.12 -3.36 115.31 121.61 1rj6 h LEU 226 Ca 0.02 -0.81 -0.01 0.00 0.84 0.00 0.00 57.88 57.91 1rj6 h LEU 226 Cb 0.18 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1rj6 h LEU 226 CO -0.00 1.29 0.17 1.56 -0.34 0.00 0.00 178.44 181.12 1rj6 h GLN 227 N -0.84 0.52 -2.52 1.25 4.20 -0.58 -3.34 115.11 113.79 1rj6 h GLN 227 Ca -0.17 -0.08 -0.72 0.00 0.06 0.00 0.00 58.65 57.74 1rj6 h GLN 227 Cb 1.27 -0.09 -0.34 0.00 0.30 0.00 0.00 27.48 28.61 1rj6 h GLN 227 CO -0.05 0.48 0.20 -0.85 -0.67 0.00 0.00 178.83 177.94 1rj6 n GLU 228 N -4.72 3.80 0.00 1.46 0.28 0.20 -4.56 120.64 117.09 1rj6 n GLU 228 Ca -0.01 -4.64 0.00 0.00 -0.16 0.00 0.00 57.16 52.35 1rj6 n GLU 228 Cb 0.11 -2.39 0.00 0.00 1.43 0.00 0.00 31.44 30.59 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 0.84 0.00 -3.49 3.84 -1.04 -1.25 -4.82 114.28 108.36 1rj6 n THR 228 Ca 0.30 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.94 1rj6 n THR 228 Cb 0.36 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 -2.58 4.40 0.23 -4.42 1.43 -1.26 -4.70 118.68 111.78 1rj6 s LEU 229 Ca 0.00 0.84 0.05 0.00 -1.03 0.00 0.00 54.13 53.99 1rj6 s LEU 229 Cb 0.00 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.64 1rj6 s LEU 229 CO 0.00 0.23 0.30 -0.55 0.23 0.00 0.00 176.35 176.56 1rj6 s SER 230 N -0.50 6.05 0.00 2.29 0.15 0.59 -1.19 113.70 121.10 1rj6 s SER 230 Ca 0.23 -0.03 0.18 0.00 0.70 0.00 0.00 55.95 57.03 1rj6 s SER 230 Cb -0.16 -1.71 0.45 0.00 -1.71 0.00 0.00 66.02 62.90 1rj6 s SER 230 CO 0.11 -0.05 1.37 -1.54 1.20 0.00 0.00 173.24 174.33 1rj6 n SER 231 N -1.23 3.39 -4.62 5.45 3.41 0.13 -3.98 113.62 116.18 1rj6 n SER 231 Ca -0.08 -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 2.77 0.05 6.66 -4.23 -1.26 -4.73 115.64 113.80 1rj6 s THR 232 Ca 0.36 -2.01 0.19 0.00 -1.18 0.00 0.00 61.69 59.06 1rj6 s THR 232 Cb 0.20 -2.75 0.14 0.00 1.34 0.00 0.00 72.50 71.43 1rj6 s THR 232 CO 0.26 -0.26 1.67 -0.33 -0.54 0.00 0.00 174.62 175.43 1rj6 h GLU 233 N 1.87 0.00 0.00 3.99 3.07 -1.93 0.14 114.58 121.73 1rj6 h GLU 233 Ca -0.43 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.37 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 0.65 0.37 0.22 -0.85 -1.40 0.00 0.00 179.01 177.99 1rj6 n GLU 234 N -3.39 1.08 -2.26 2.33 0.28 -1.26 -4.65 120.64 112.77 1rj6 n GLU 234 Ca 0.01 -2.32 -0.34 0.00 -0.16 0.00 0.00 57.16 54.34 1rj6 n GLU 234 Cb 0.55 2.79 -0.00 0.00 1.43 0.00 0.00 31.44 36.21 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 -3.10 5.85 0.15 -1.84 1.01 -1.26 -4.05 116.67 113.43 1rj6 s ASP 236 Ca 0.18 2.04 -0.31 0.00 0.71 0.00 0.00 52.55 55.17 1rj6 s ASP 236 Cb -0.04 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.23 1rj6 s ASP 236 CO 0.13 -1.13 1.45 -2.84 0.21 0.00 0.00 175.17 173.00 1rj6 s PRO 237 N -3.45 4.28 0.36 8.23 0.02 -1.26 -5.14 135.00 138.05 1rj6 s PRO 237 Ca 0.69 2.19 -0.25 0.00 0.02 0.00 0.00 61.00 63.65 1rj6 s PRO 237 Cb -0.20 -3.20 -0.09 0.00 0.02 0.00 0.00 34.50 31.02 1rj6 s PRO 237 CO 0.28 -0.48 1.02 -1.54 -0.33 0.00 0.00 177.00 175.94 1rj6 s SER 238 N 1.02 7.01 -0.16 2.53 1.04 -1.26 -4.92 113.70 118.97 1rj6 s SER 238 Ca 0.66 1.99 -0.01 0.00 0.48 0.00 0.00 55.95 59.07 1rj6 s SER 238 Cb -0.40 -2.59 0.04 0.00 0.10 0.00 0.00 66.02 63.18 1rj6 s SER 238 CO 0.32 -0.31 -0.05 -1.61 0.98 0.00 0.00 173.24 172.57 1rj6 s GLU 239 N -2.25 1.41 -0.49 4.02 2.02 -1.26 -5.01 118.70 117.13 1rj6 s GLU 239 Ca 0.54 -0.48 -0.45 0.00 0.02 0.00 0.00 54.97 54.60 1rj6 s GLU 239 Cb -0.22 -1.95 -0.19 0.00 0.10 0.00 0.00 34.13 31.87 1rj6 s GLU 239 CO 0.27 -0.42 1.87 -2.30 0.02 0.00 0.00 175.26 174.70 1rj6 n PRO 240 N 4.89 0.00 -2.72 0.39 -0.02 -1.26 -0.70 135.00 135.58 1rj6 n PRO 240 Ca -0.12 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.94 1rj6 n PRO 240 Cb 0.48 -1.48 -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 4.54 3.95 0.28 2.45 2.96 -0.33 -4.73 118.68 127.79 1rj6 s LEU 241 Ca 1.12 -1.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.96 1rj6 s LEU 241 Cb -1.48 -2.49 -0.02 0.00 0.50 0.00 0.00 46.19 42.70 1rj6 s LEU 241 CO 0.73 -1.52 0.33 0.68 -1.32 0.00 0.00 176.35 175.24 1rj6 s VAL 242 N 4.55 0.00 -1.37 1.68 -7.23 -1.26 -4.75 120.40 112.02 1rj6 s VAL 242 Ca 0.32 -1.78 -0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1rj6 s VAL 242 Cb -0.10 -2.49 0.01 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 -0.45 -4.38 -1.60 4.82 1.13 -1.11 -4.86 117.38 110.94 1rj6 n GLN 243 Ca 0.02 0.54 -0.37 0.00 -1.94 0.00 0.00 57.00 55.25 1rj6 n GLN 243 Cb 0.63 -4.98 0.06 0.00 0.11 0.00 0.00 30.24 26.06 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 -3.00 7.63 -4.24 1.08 6.94 -0.99 -4.88 115.26 117.80 1rj6 n ASN 244 Ca -0.27 -3.81 -0.26 0.00 -0.02 0.00 0.00 54.58 50.22 1rj6 n ASN 244 Cb 0.66 -1.02 -0.15 0.00 -2.36 0.00 0.00 39.78 36.92 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 -3.94 1.83 0.31 -2.53 -0.85 -1.26 -4.59 117.35 106.33 1rj6 s TYR 245 Ca 0.59 -0.36 -0.17 0.00 -0.52 0.00 0.00 57.07 56.61 1rj6 s TYR 245 Cb 0.48 -1.13 -0.09 0.00 0.38 0.00 0.00 41.96 41.60 1rj6 s TYR 245 CO -0.19 0.04 0.76 0.50 -1.52 0.00 0.00 175.55 175.14 1rj6 s ARG 246 N -0.89 4.08 0.57 -3.49 3.52 -1.26 -5.04 118.95 116.44 1rj6 s ARG 246 Ca 0.08 0.76 -0.16 0.00 -0.13 0.00 0.00 55.73 56.28 1rj6 s ARG 246 Cb -0.08 -2.50 -0.05 0.00 -1.56 0.00 0.00 34.95 30.76 1rj6 s ARG 246 CO 0.01 0.19 1.04 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 -4.71 120.40 124.91 1rj6 s VAL 247 Ca 0.53 0.94 -0.28 0.00 0.00 0.00 0.00 61.98 63.16 1rj6 s VAL 247 Cb -0.11 -3.45 -0.12 0.00 0.00 0.00 0.00 36.38 32.69 1rj6 s VAL 247 CO 0.18 -0.53 1.31 -2.65 0.00 0.00 0.00 175.10 173.41 1rj6 n PRO 248 N -1.89 2.13 -3.71 2.72 -0.02 -1.26 -4.32 135.00 128.64 1rj6 n PRO 248 Ca 0.08 0.75 -0.20 0.00 -2.02 0.00 0.00 63.50 62.11 1rj6 n PRO 248 Cb 0.53 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.66 3.06 0.31 -0.52 -1.52 0.13 -4.94 119.66 114.52 1rj6 s GLN 249 Ca 0.57 -1.04 -0.30 0.00 -1.95 0.00 0.00 55.36 52.65 1rj6 s GLN 249 Cb -0.58 -2.72 -0.11 0.00 -0.22 0.00 0.00 33.01 29.38 1rj6 s GLN 249 CO 0.60 0.18 1.56 -2.14 -0.25 0.00 0.00 175.29 175.24 1rj6 s PRO 250 N -4.06 4.13 0.43 2.91 0.02 -1.26 -4.59 135.00 132.57 1rj6 s PRO 250 Ca 0.41 2.56 0.23 0.00 0.02 0.00 0.00 61.00 64.22 1rj6 s PRO 250 Cb -0.08 -3.01 0.75 0.00 0.02 0.00 0.00 34.50 32.17 1rj6 s PRO 250 CO 0.29 -0.60 1.75 1.25 -0.33 0.00 0.00 177.00 179.36 1rj6 h LEU 251 N 4.42 0.00 -1.97 -5.54 5.85 -1.93 -3.42 115.31 112.72 1rj6 h LEU 251 Ca -0.48 0.00 -0.61 0.00 0.84 0.00 0.00 57.88 57.63 1rj6 h LEU 251 Cb 1.22 0.00 -0.21 0.00 0.37 0.00 0.00 40.66 42.04 1rj6 h LEU 251 CO 0.76 0.22 -0.95 0.59 -0.34 0.00 0.00 178.44 178.71 1rj6 n ASN 252 N -3.29 0.48 -3.91 1.25 3.02 -1.26 -1.68 115.26 109.87 1rj6 n ASN 252 Ca 0.01 -1.24 -0.28 0.00 -0.03 0.00 0.00 54.58 53.03 1rj6 n ASN 252 Cb 0.48 -1.76 0.01 0.00 -0.61 0.00 0.00 39.78 37.91 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 -4.51 -4.73 -3.70 3.52 6.02 -1.26 -4.98 117.38 107.74 1rj6 n GLN 253 Ca -0.28 0.54 -0.35 0.00 -0.01 0.00 0.00 57.00 56.90 1rj6 n GLN 253 Cb 0.67 -5.21 -0.06 0.00 1.02 0.00 0.00 30.24 26.66 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 -6.49 3.65 0.15 -1.09 0.52 -0.68 -5.07 118.95 109.95 1rj6 s ARG 254 Ca 0.41 0.05 -0.24 0.00 -0.52 0.00 0.00 55.73 55.43 1rj6 s ARG 254 Cb -0.21 -3.10 -0.08 0.00 0.52 0.00 0.00 34.95 32.08 1rj6 s ARG 254 CO 0.85 0.66 0.74 0.99 0.02 0.00 0.00 175.30 178.55 1rj6 s THR 255 N -1.25 4.44 -0.18 0.02 2.01 -1.26 -5.05 115.64 114.38 1rj6 s THR 255 Ca 0.26 1.60 0.00 0.00 0.31 0.00 0.00 61.69 63.87 1rj6 s THR 255 Cb -0.14 -4.08 0.01 0.00 0.01 0.00 0.00 72.50 68.30 1rj6 s THR 255 CO 0.14 0.51 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.78 1rj6 s ILE 256 N -1.17 2.29 0.24 1.82 1.01 -1.26 -4.75 121.20 119.38 1rj6 s ILE 256 Ca 0.35 -0.87 0.02 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 40.25 1rj6 s ILE 256 CO 0.25 0.52 0.40 -0.36 0.00 0.00 0.00 174.94 175.75 1rj6 s PHE 257 N 1.21 3.48 0.03 3.97 0.40 -0.89 -0.77 117.98 125.40 1rj6 s PHE 257 Ca 0.03 0.20 0.03 0.00 -0.60 0.00 0.00 56.93 56.58 1rj6 s PHE 257 Cb -0.14 -1.75 -0.02 0.00 0.51 0.00 0.00 43.02 41.63 1rj6 s PHE 257 CO -0.09 0.36 -0.09 0.00 0.70 0.00 0.00 175.22 176.10 1rj6 s ALA 258 N -1.99 0.75 -1.29 5.36 0.00 -0.78 -0.90 121.76 122.91 1rj6 s ALA 258 Ca 0.37 -0.62 0.29 0.00 0.00 0.00 0.00 51.96 52.00 1rj6 s ALA 258 Cb -0.10 -0.09 1.27 0.00 0.00 0.00 0.00 23.12 24.20 1rj6 s ALA 258 CO 0.30 0.11 1.91 -1.13 0.00 0.00 0.00 175.76 176.95 1rj6 n SER 259 N 2.08 0.14 0.00 0.00 3.41 -0.53 -1.65 113.62 117.07 1rj6 n SER 259 Ca -0.18 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1rj6 n SER 259 Cb 0.56 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1rj6 n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10