#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hj6 s LEU 2 N 0.00 2.34 0.79 0.00 1.43 -1.26 -4.67 118.68 117.31 2hj6 s LEU 2 Ca 0.00 -0.71 -0.14 0.00 -1.03 0.00 0.00 54.13 52.25 2hj6 s LEU 2 Cb 0.00 -0.23 0.05 0.00 0.03 0.00 0.00 46.19 46.05 2hj6 s LEU 2 CO 0.00 -0.25 1.06 0.18 0.23 0.00 0.00 176.35 177.57 2hj6 n LEU 3 N 0.94 3.73 0.24 1.79 4.77 -1.26 -4.84 117.00 122.36 2hj6 n LEU 3 Ca -0.19 0.59 0.18 0.00 -0.03 0.00 0.00 56.01 56.56 2hj6 n LEU 3 Cb 0.56 -1.45 0.88 0.00 -2.33 0.00 0.00 43.42 41.08 2hj6 n LEU 3 CO 0.24 -1.97 1.15 0.77 -1.33 0.00 0.00 177.39 176.25 2hj6 h SER 4 N -0.73 0.00 -0.14 -1.43 4.64 -2.07 -2.06 113.55 111.75 2hj6 h SER 4 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2hj6 h SER 4 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2hj6 h SER 4 CO 0.45 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.63 2hj6 n PHE 5 N -3.53 0.19 0.11 4.77 1.16 -1.26 -4.84 117.46 114.05 2hj6 n PHE 5 Ca 0.01 -0.43 -0.18 0.00 -1.87 0.00 0.00 57.45 54.98 2hj6 n PHE 5 Cb 0.32 -0.03 -0.14 0.00 -1.61 0.00 0.00 39.48 38.02 2hj6 n PHE 5 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 2hj6 h GLU 6 N 0.96 0.32 -0.35 3.97 4.81 -1.71 -3.38 114.58 119.20 2hj6 h GLU 6 Ca 0.00 -0.55 0.04 0.00 -0.13 0.00 0.00 59.36 58.72 2hj6 h GLU 6 Cb 0.55 0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 2hj6 h GLU 6 CO 0.00 1.25 0.13 -0.09 -0.73 0.00 0.00 179.01 179.57 2hj6 h ARG 7 N 0.09 0.27 -1.38 1.92 2.43 -1.88 -0.18 114.38 115.64 2hj6 h ARG 7 Ca -0.18 -0.02 0.40 0.00 -0.81 0.00 0.00 59.98 59.38 2hj6 h ARG 7 Cb 2.02 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 31.45 2hj6 h ARG 7 CO 0.21 0.18 0.99 1.57 -1.51 0.00 0.00 179.97 181.41 2hj6 h LYS 8 N 0.28 0.02 0.00 0.20 2.10 -1.98 0.44 116.57 117.63 2hj6 h LYS 8 Ca 0.16 -0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.73 2hj6 h LYS 8 Cb 0.12 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.44 2hj6 h LYS 8 CO -0.15 0.01 -0.72 1.88 -2.00 0.00 0.00 179.45 178.47 2hj6 h TYR 9 N 0.02 0.00 0.00 0.07 0.05 -1.27 -3.38 116.97 112.45 2hj6 h TYR 9 Ca 0.67 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 59.32 2hj6 h TYR 9 Cb 2.63 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 40.32 2hj6 h TYR 9 CO -0.00 0.31 -0.22 0.54 -1.05 0.00 0.00 178.16 177.75 2hj6 n ARG 10 N -3.01 1.56 -1.80 4.88 1.74 0.16 -4.89 116.66 115.29 2hj6 n ARG 10 Ca -0.01 -0.69 -0.31 0.00 -0.77 0.00 0.00 57.85 56.08 2hj6 n ARG 10 Cb 0.68 -1.75 0.04 0.00 -1.02 0.00 0.00 32.46 30.41 2hj6 n ARG 10 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2hj6 s VAL 11 N 1.05 4.02 0.42 1.55 -7.23 -1.26 -5.03 120.40 113.91 2hj6 s VAL 11 Ca 0.46 0.66 -0.25 0.00 -1.81 0.00 0.00 61.98 61.04 2hj6 s VAL 11 Cb 0.22 -3.59 -0.08 0.00 0.56 0.00 0.00 36.38 33.49 2hj6 s VAL 11 CO 0.00 -0.86 1.19 -2.16 -0.31 0.00 0.00 175.10 172.96 2hj6 s PRO 12 N -5.22 3.95 0.00 4.82 0.04 -1.26 -5.00 135.00 132.33 2hj6 s PRO 12 Ca 0.57 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.48 2hj6 s PRO 12 Cb -0.12 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.82 2hj6 s PRO 12 CO 0.53 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.56 2hj6 n GLY 13 N 0.59 3.40 0.39 0.56 0.00 -1.26 -5.07 105.19 103.80 2hj6 n GLY 13 Ca 0.05 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2hj6 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hj6 n GLY 14 N -1.38 0.53 3.73 -0.02 0.00 -1.26 -4.28 105.19 102.50 2hj6 n GLY 14 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2hj6 n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hj6 s THR 15 N -2.23 2.52 -0.39 2.61 -4.23 -1.26 -4.60 115.64 108.05 2hj6 s THR 15 Ca 0.00 0.23 0.22 0.00 -1.18 0.00 0.00 61.69 60.96 2hj6 s THR 15 Cb 0.00 -2.69 -0.23 0.00 1.34 0.00 0.00 72.50 70.92 2hj6 s THR 15 CO 0.00 -0.16 0.75 0.18 -0.54 0.00 0.00 174.62 174.85 2hj6 n LEU 16 N -2.99 0.43 -3.71 4.79 4.77 -1.26 -4.93 117.00 114.10 2hj6 n LEU 16 Ca 0.12 -0.09 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 2hj6 n LEU 16 Cb 0.51 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 2hj6 n LEU 16 CO 0.48 0.05 0.09 -0.69 -1.33 0.00 0.00 177.39 175.99 2hj6 s VAL 17 N -3.32 -0.01 0.00 4.08 1.01 -1.26 -4.90 120.40 116.00 2hj6 s VAL 17 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2hj6 s VAL 17 Cb 0.14 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.92 2hj6 s VAL 17 CO 0.87 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.59 2hj6 n GLY 18 N 3.42 0.72 7.00 4.51 0.00 -1.26 -4.47 105.19 115.10 2hj6 n GLY 18 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2hj6 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hj6 n GLY 19 N -2.47 3.09 0.03 -0.02 0.00 -1.26 -0.80 105.19 103.77 2hj6 n GLY 19 Ca 0.00 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.24 2hj6 n GLY 19 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hj6 n ASN 20 N 3.84 0.31 -0.34 1.61 6.94 -1.26 -4.39 115.26 121.98 2hj6 n ASN 20 Ca 0.00 -0.03 0.17 0.00 -0.02 0.00 0.00 54.58 54.70 2hj6 n ASN 20 Cb 0.00 -0.11 0.38 0.00 -2.36 0.00 0.00 39.78 37.69 2hj6 n ASN 20 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2hj6 h LEU 21 N 0.13 0.59 -2.92 -4.53 6.46 -1.32 -1.11 115.31 112.61 2hj6 h LEU 21 Ca 0.00 0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 2hj6 h LEU 21 Cb 0.47 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 2hj6 h LEU 21 CO 0.00 0.06 -0.33 0.49 -0.62 0.00 0.00 178.44 178.04 2hj6 n PHE 22 N -4.93 0.00 -2.46 1.25 3.01 -1.26 -4.92 117.46 108.15 2hj6 n PHE 22 Ca 0.26 -1.09 -0.43 0.00 1.01 0.00 0.00 57.45 57.21 2hj6 n PHE 22 Cb 0.74 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 2hj6 n PHE 22 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2hj6 n ASP 23 N -1.04 4.93 -4.00 4.37 2.03 -0.42 -0.43 116.55 121.99 2hj6 n ASP 23 Ca 0.15 -3.01 -0.09 0.00 0.52 0.00 0.00 54.79 52.36 2hj6 n ASP 23 Cb 0.71 -1.57 -0.06 0.00 -0.72 0.00 0.00 41.12 39.48 2hj6 n ASP 23 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2hj6 s PHE 24 N 1.62 0.41 0.23 -0.67 -0.12 -1.26 -5.01 117.98 113.19 2hj6 s PHE 24 Ca 0.43 -0.76 0.09 0.00 -0.05 0.00 0.00 56.93 56.64 2hj6 s PHE 24 Cb 0.06 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.52 2hj6 s PHE 24 CO -0.00 -0.94 -0.03 -1.58 -0.05 0.00 0.00 175.22 172.62 2hj6 s TRP 25 N -4.02 2.70 -0.28 3.49 0.51 -1.26 -1.41 118.94 118.67 2hj6 s TRP 25 Ca 0.23 -0.21 0.03 0.00 -2.12 0.00 0.00 56.10 54.03 2hj6 s TRP 25 Cb 0.00 -1.24 0.07 0.00 -0.81 0.00 0.00 33.47 31.49 2hj6 s TRP 25 CO 0.08 0.58 -0.07 0.08 -0.51 0.00 0.00 176.95 177.11 2hj6 s VAL 26 N -2.10 2.18 0.00 4.03 1.01 0.33 -4.90 120.40 120.96 2hj6 s VAL 26 Ca 0.29 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.48 2hj6 s VAL 26 Cb -0.07 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.94 2hj6 s VAL 26 CO 0.19 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.73 2hj6 n GLY 27 N 4.39 3.41 0.17 4.51 0.00 -1.26 -2.02 105.19 114.40 2hj6 n GLY 27 Ca -0.10 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.87 2hj6 n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hj6 h PRO 28 N 0.00 0.00 -6.19 1.61 0.13 -1.96 -3.46 132.00 122.14 2hj6 h PRO 28 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 2hj6 h PRO 28 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2hj6 h PRO 28 CO 0.00 0.00 0.51 -0.06 -0.23 0.00 0.00 178.00 178.22 2hj6 s PHE 29 N -3.24 3.50 0.17 1.56 0.08 -0.86 -5.02 117.98 114.17 2hj6 s PHE 29 Ca 0.05 1.51 -0.31 0.00 0.12 0.00 0.00 56.93 58.31 2hj6 s PHE 29 Cb 0.07 -3.14 -0.09 0.00 -0.57 0.00 0.00 43.02 39.30 2hj6 s PHE 29 CO 0.70 -0.21 1.44 -0.47 -0.10 0.00 0.00 175.22 176.57 2hj6 s TYR 30 N 1.99 3.14 0.00 0.36 5.04 -1.26 -0.51 117.35 126.11 2hj6 s TYR 30 Ca 0.46 0.92 0.00 0.00 -2.44 0.00 0.00 57.07 56.01 2hj6 s TYR 30 Cb -0.18 -3.77 0.00 0.00 0.35 0.00 0.00 41.96 38.36 2hj6 s TYR 30 CO 0.17 -2.67 0.00 0.28 -1.34 0.00 0.00 175.55 171.99 2hj6 n VAL 31 N 3.37 0.00 0.00 3.14 0.31 -0.50 -4.81 118.33 119.83 2hj6 n VAL 31 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 2hj6 n VAL 31 Cb 0.41 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 2hj6 n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hj6 n GLY 32 N 3.90 -1.80 0.29 2.92 0.00 0.43 -2.69 105.19 108.24 2hj6 n GLY 32 Ca 0.00 -1.53 0.06 0.00 0.00 0.00 0.00 46.02 44.55 2hj6 n GLY 32 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2hj6 h PHE 33 N 0.00 0.61 0.00 1.61 3.57 -1.78 -1.46 116.94 119.48 2hj6 h PHE 33 Ca 0.00 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 2hj6 h PHE 33 Cb 0.00 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 2hj6 h PHE 33 CO 0.00 0.11 -0.41 0.74 -2.23 0.00 0.00 178.31 176.52 2hj6 h PHE 34 N 0.51 0.00 0.02 0.41 0.04 -1.89 0.53 116.94 116.56 2hj6 h PHE 34 Ca 0.43 0.00 0.02 0.00 2.80 0.00 0.00 57.97 61.22 2hj6 h PHE 34 Cb 0.63 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.75 2hj6 h PHE 34 CO -0.14 0.41 -0.17 0.78 -0.60 0.00 0.00 178.31 178.60 2hj6 h GLY 35 N 2.29 -0.24 1.33 -1.45 0.00 -1.07 0.36 103.07 104.30 2hj6 h GLY 35 Ca -0.00 0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 2hj6 h GLY 35 CO 0.05 -0.16 0.32 -2.08 0.00 0.00 0.00 176.54 174.67 2hj6 h VAL 36 N -0.29 1.20 0.19 4.60 2.07 -0.85 0.11 116.25 123.28 2hj6 h VAL 36 Ca 0.05 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2hj6 h VAL 36 Cb 0.35 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2hj6 h VAL 36 CO -0.15 0.23 -0.09 0.00 0.02 0.00 0.00 177.57 177.58 2hj6 h ALA 37 N 1.47 -0.25 0.24 1.67 0.00 -0.75 -1.42 119.26 120.23 2hj6 h ALA 37 Ca 0.22 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2hj6 h ALA 37 Cb 0.06 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2hj6 h ALA 37 CO -0.03 -0.53 -0.36 1.15 0.00 0.00 0.00 179.25 179.47 2hj6 h THR 38 N -0.47 0.25 -0.63 0.00 2.02 -0.61 -0.13 112.91 113.34 2hj6 h THR 38 Ca -0.03 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.28 2hj6 h THR 38 Cb 0.36 0.25 -0.12 0.00 -1.74 0.00 0.00 68.15 66.91 2hj6 h THR 38 CO 0.04 0.00 -0.13 0.15 0.37 0.00 0.00 175.52 175.96 2hj6 h PHE 39 N -0.67 -0.28 -0.06 3.16 3.57 -0.78 0.36 116.94 122.24 2hj6 h PHE 39 Ca 0.00 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.59 2hj6 h PHE 39 Cb 0.65 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 2hj6 h PHE 39 CO -0.26 -0.25 -0.14 0.35 -2.23 0.00 0.00 178.31 175.77 2hj6 h PHE 40 N 0.02 -0.35 -0.27 0.41 3.57 -0.75 0.66 116.94 120.23 2hj6 h PHE 40 Ca 0.31 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.75 2hj6 h PHE 40 Cb 0.48 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2hj6 h PHE 40 CO -0.48 -0.21 -0.10 0.74 -2.23 0.00 0.00 178.31 176.03 2hj6 h PHE 41 N -0.20 0.63 0.50 0.41 0.04 0.24 -2.25 116.94 116.31 2hj6 h PHE 41 Ca 0.07 -0.15 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 2hj6 h PHE 41 Cb 0.30 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.30 2hj6 h PHE 41 CO -0.23 0.78 -0.24 0.00 -0.60 0.00 0.00 178.31 178.02 2hj6 h ALA 42 N 0.75 -0.67 -0.98 2.45 0.00 -0.23 0.22 119.26 120.80 2hj6 h ALA 42 Ca 0.06 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 54.94 2hj6 h ALA 42 Cb 0.60 0.26 -0.15 0.00 0.00 0.00 0.00 17.79 18.50 2hj6 h ALA 42 CO 0.03 -0.84 -0.44 0.00 0.00 0.00 0.00 179.25 178.01 2hj6 h ALA 43 N -0.29 -0.02 0.02 0.00 0.00 -0.83 0.45 119.26 118.59 2hj6 h ALA 43 Ca -0.07 0.24 -0.27 0.00 0.00 0.00 0.00 54.91 54.80 2hj6 h ALA 43 Cb 0.55 1.09 0.02 0.00 0.00 0.00 0.00 17.79 19.46 2hj6 h ALA 43 CO 0.11 -0.71 -1.08 1.25 0.00 0.00 0.00 179.25 178.83 2hj6 h LEU 44 N -0.01 0.92 -0.51 0.00 5.85 -1.30 0.79 115.31 121.05 2hj6 h LEU 44 Ca 0.30 -0.75 0.10 0.00 0.84 0.00 0.00 57.88 58.37 2hj6 h LEU 44 Cb 0.55 -0.28 -0.10 0.00 0.37 0.00 0.00 40.66 41.20 2hj6 h LEU 44 CO -0.97 1.55 -0.25 1.23 -0.34 0.00 0.00 178.44 179.67 2hj6 h GLY 45 N 0.38 0.07 0.90 3.75 0.00 -0.23 0.70 103.07 108.64 2hj6 h GLY 45 Ca -0.14 0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 2hj6 h GLY 45 CO 0.21 -0.22 0.03 -2.22 0.00 0.00 0.00 176.54 174.35 2hj6 h ILE 46 N -0.13 1.25 0.32 2.60 2.04 0.21 -1.83 117.51 121.96 2hj6 h ILE 46 Ca 0.23 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 2hj6 h ILE 46 Cb 0.50 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2hj6 h ILE 46 CO -0.59 0.29 -0.26 0.40 0.00 0.00 0.00 178.15 178.00 2hj6 h ILE 47 N 0.38 0.46 -0.37 -0.67 2.04 -0.61 0.40 117.51 119.15 2hj6 h ILE 47 Ca 0.10 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.04 2hj6 h ILE 47 Cb 0.39 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2hj6 h ILE 47 CO 0.01 0.00 0.26 -0.07 0.00 0.00 0.00 178.15 178.35 2hj6 h LEU 48 N -0.58 0.10 0.28 1.44 3.38 -0.83 0.19 115.31 119.28 2hj6 h LEU 48 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2hj6 h LEU 48 Cb 0.51 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2hj6 h LEU 48 CO -0.02 0.06 -0.13 0.40 0.09 0.00 0.00 178.44 178.84 2hj6 h ILE 49 N 0.11 0.68 -1.01 1.22 2.04 -0.65 0.39 117.51 120.30 2hj6 h ILE 49 Ca 0.17 -0.75 0.29 0.00 1.00 0.00 0.00 64.86 65.57 2hj6 h ILE 49 Cb 0.54 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 2hj6 h ILE 49 CO -0.02 0.14 0.82 0.00 0.00 0.00 0.00 178.15 179.09 2hj6 h ALA 50 N -0.32 2.90 -0.04 1.87 0.00 0.76 0.44 119.26 124.87 2hj6 h ALA 50 Ca -0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2hj6 h ALA 50 Cb 0.51 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2hj6 h ALA 50 CO 0.06 -1.35 -0.19 2.35 0.00 0.00 0.00 179.25 180.13 2hj6 h TRP 51 N 0.00 0.28 -0.47 0.00 2.91 -0.48 -0.62 115.95 117.57 2hj6 h TRP 51 Ca 0.48 -0.12 -0.01 0.00 1.13 0.00 0.00 58.89 60.37 2hj6 h TRP 51 Cb 2.12 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 30.71 2hj6 h TRP 51 CO 0.00 0.82 0.26 1.03 -1.03 0.00 0.00 178.44 179.52 2hj6 h SER 52 N -0.35 0.60 -0.07 2.65 0.87 0.19 -2.89 113.55 114.55 2hj6 h SER 52 Ca -0.01 -0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.48 2hj6 h SER 52 Cb 0.84 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.59 2hj6 h SER 52 CO 0.04 0.52 -0.50 0.00 -0.53 0.00 0.00 176.83 176.36 2hj6 h ALA 53 N 1.10 -0.89 -0.99 6.23 0.00 -0.30 -0.34 119.26 124.08 2hj6 h ALA 53 Ca 0.17 -0.07 0.32 0.00 0.00 0.00 0.00 54.91 55.32 2hj6 h ALA 53 Cb 0.06 0.95 -0.18 0.00 0.00 0.00 0.00 17.79 18.62 2hj6 h ALA 53 CO -0.03 -1.05 0.19 0.28 0.00 0.00 0.00 179.25 178.64 2hj6 h VAL 54 N -0.58 0.02 0.03 0.00 2.07 -0.99 -1.00 116.25 115.81 2hj6 h VAL 54 Ca 0.02 -0.01 -0.24 0.00 0.82 0.00 0.00 66.70 67.30 2hj6 h VAL 54 Cb 0.65 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2hj6 h VAL 54 CO -0.37 0.00 -1.17 -0.07 0.02 0.00 0.00 177.57 175.99 2hj6 h LEU 55 N 0.01 0.11 -1.45 2.57 3.38 -1.15 -2.73 115.31 116.05 2hj6 h LEU 55 Ca 0.67 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.51 2hj6 h LEU 55 Cb 1.54 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 2hj6 h LEU 55 CO -0.87 1.10 0.26 -0.61 0.09 0.00 0.00 178.44 178.41 2hj6 h GLN 56 N 0.02 0.62 0.00 1.13 4.15 -0.53 -3.48 115.11 117.03 2hj6 h GLN 56 Ca -0.08 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.28 2hj6 h GLN 56 Cb 1.85 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 29.41 2hj6 h GLN 56 CO 0.14 0.46 0.00 0.41 -1.93 0.00 0.00 178.83 177.91 2hj6 n GLY 57 N -1.34 1.15 3.09 2.39 0.00 -0.43 -5.11 105.19 104.95 2hj6 n GLY 57 Ca 0.04 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2hj6 n GLY 57 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2hj6 s THR 58 N -2.00 0.55 -0.34 2.61 -1.32 -1.13 -5.01 115.64 109.00 2hj6 s THR 58 Ca 0.00 -1.38 0.03 0.00 -1.21 0.00 0.00 61.69 59.13 2hj6 s THR 58 Cb 0.00 -0.98 0.06 0.00 -1.51 0.00 0.00 72.50 70.07 2hj6 s THR 58 CO 0.00 -0.58 0.85 0.79 -2.21 0.00 0.00 174.62 173.47 2hj6 n TRP 59 N 0.92 0.07 -2.74 9.09 7.02 -1.26 -4.21 117.44 126.33 2hj6 n TRP 59 Ca -0.19 -0.26 -0.42 0.00 -1.02 0.00 0.00 57.50 55.62 2hj6 n TRP 59 Cb 0.57 -0.02 -0.04 0.00 -2.42 0.00 0.00 31.31 29.40 2hj6 n TRP 59 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 2hj6 s ASN 60 N -0.65 7.39 0.59 -0.99 3.84 -1.26 -4.89 114.94 118.96 2hj6 s ASN 60 Ca 0.05 1.67 0.36 0.00 0.21 0.00 0.00 52.86 55.16 2hj6 s ASN 60 Cb 0.03 -2.57 1.76 0.00 -0.55 0.00 0.00 41.25 39.93 2hj6 s ASN 60 CO 0.04 -0.19 2.14 1.55 -2.79 0.00 0.00 177.10 177.85 2hj6 h PRO 61 N 6.40 0.00 0.00 0.43 0.13 -1.97 0.44 132.00 137.43 2hj6 h PRO 61 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2hj6 h PRO 61 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2hj6 h PRO 61 CO 0.74 0.03 -0.15 1.04 -0.23 0.00 0.00 178.00 179.43 2hj6 n GLN 62 N -3.19 0.06 -0.05 0.86 6.02 -1.26 -4.17 117.38 115.64 2hj6 n GLN 62 Ca -0.01 0.04 -0.07 0.00 -0.01 0.00 0.00 57.00 56.94 2hj6 n GLN 62 Cb 0.21 -1.56 -0.05 0.00 1.02 0.00 0.00 30.24 29.86 2hj6 n GLN 62 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2hj6 n LEU 63 N -1.65 2.69 -4.68 1.08 4.77 0.15 -4.67 117.00 114.69 2hj6 n LEU 63 Ca 0.06 -0.05 -0.57 0.00 -0.03 0.00 0.00 56.01 55.42 2hj6 n LEU 63 Cb 0.36 -0.32 -0.07 0.00 -2.33 0.00 0.00 43.42 41.06 2hj6 n LEU 63 CO 0.30 0.64 1.18 -0.38 -1.33 0.00 0.00 177.39 177.80 2hj6 n ILE 64 N -2.77 0.20 -3.53 -0.08 5.41 0.13 -4.95 119.36 113.77 2hj6 n ILE 64 Ca -0.19 -0.04 -0.17 0.00 1.00 0.00 0.00 62.75 63.36 2hj6 n ILE 64 Cb 0.71 -1.03 -0.13 0.00 -0.71 0.00 0.00 39.64 38.48 2hj6 n ILE 64 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2hj6 s SER 65 N 2.60 1.13 -0.44 4.38 0.15 -1.26 -4.43 113.70 115.84 2hj6 s SER 65 Ca 0.95 -0.03 -0.21 0.00 0.70 0.00 0.00 55.95 57.36 2hj6 s SER 65 Cb -1.08 0.44 0.02 0.00 -1.71 0.00 0.00 66.02 63.70 2hj6 s SER 65 CO 0.62 -0.30 0.67 -0.69 1.20 0.00 0.00 173.24 174.73 2hj6 s VAL 66 N 2.34 4.80 0.21 4.45 1.01 0.30 -4.89 120.40 128.62 2hj6 s VAL 66 Ca 0.06 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.12 2hj6 s VAL 66 Cb -0.15 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 31.94 2hj6 s VAL 66 CO -0.11 -0.61 0.53 -0.31 0.00 0.00 0.00 175.10 174.61 2hj6 s TYR 67 N 2.89 3.45 0.95 5.22 2.02 -1.26 -0.70 117.35 129.93 2hj6 s TYR 67 Ca 0.24 0.87 -0.12 0.00 -0.37 0.00 0.00 57.07 57.69 2hj6 s TYR 67 Cb -0.14 -2.25 0.16 0.00 -0.40 0.00 0.00 41.96 39.33 2hj6 s TYR 67 CO 0.19 0.31 1.11 -1.25 -1.57 0.00 0.00 175.55 174.34 2hj6 s PRO 68 N -2.67 0.79 0.39 -1.71 0.04 -1.26 -4.41 135.00 126.16 2hj6 s PRO 68 Ca 0.45 0.47 -0.28 0.00 0.04 0.00 0.00 61.00 61.69 2hj6 s PRO 68 Cb -0.12 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.53 2hj6 s PRO 68 CO 0.21 -2.48 1.48 -2.14 0.04 0.00 0.00 177.00 174.11 2hj6 s PRO 69 N -5.07 4.04 0.15 0.56 0.02 -1.26 -4.76 135.00 128.69 2hj6 s PRO 69 Ca 0.64 2.54 -0.32 0.00 0.02 0.00 0.00 61.00 63.89 2hj6 s PRO 69 Cb -0.17 -2.91 -0.17 0.00 0.02 0.00 0.00 34.50 31.26 2hj6 s PRO 69 CO 0.56 -0.58 0.80 0.00 -0.33 0.00 0.00 177.00 177.45 2hj6 n ALA 70 N 0.34 -2.54 0.24 -1.55 0.00 -1.26 -2.98 120.51 112.76 2hj6 n ALA 70 Ca 0.02 0.48 0.17 0.00 0.00 0.00 0.00 53.44 54.11 2hj6 n ALA 70 Cb 0.40 -1.74 0.80 0.00 0.00 0.00 0.00 19.45 18.90 2hj6 n ALA 70 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2hj6 h LEU 71 N 1.95 0.00 -0.77 0.00 4.07 -1.93 -0.75 115.31 117.88 2hj6 h LEU 71 Ca -0.37 0.00 0.10 0.00 0.08 0.00 0.00 57.88 57.69 2hj6 h LEU 71 Cb 1.41 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 43.04 2hj6 h LEU 71 CO 0.61 0.00 -0.48 -0.33 -1.08 0.00 0.00 178.44 177.16 2hj6 h GLU 72 N 0.00 -0.13 0.00 1.13 5.08 -2.00 -1.51 114.58 117.16 2hj6 h GLU 72 Ca 0.08 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2hj6 h GLU 72 Cb 0.79 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2hj6 h GLU 72 CO -0.00 -0.09 0.10 0.66 -1.00 0.00 0.00 179.01 178.68 2hj6 n TYR 73 N -5.38 0.00 -0.58 4.33 4.02 -0.29 -4.89 117.16 114.38 2hj6 n TYR 73 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 2hj6 n TYR 73 Cb 0.34 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 39.27 2hj6 n TYR 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2hj6 n GLY 74 N -1.38 3.40 1.44 2.72 0.00 -0.57 -1.18 105.19 109.62 2hj6 n GLY 74 Ca 0.00 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 45.99 2hj6 n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hj6 n LEU 75 N 0.00 4.62 0.00 0.99 4.77 -1.09 -1.75 117.00 124.55 2hj6 n LEU 75 Ca 0.00 -2.57 -0.04 0.00 -0.03 0.00 0.00 56.01 53.37 2hj6 n LEU 75 Cb 0.00 -0.56 0.02 0.00 -2.33 0.00 0.00 43.42 40.56 2hj6 n LEU 75 CO 0.00 0.76 0.10 0.61 -1.33 0.00 0.00 177.39 177.53 2hj6 n GLY 76 N 0.74 -0.70 3.84 -0.72 0.00 -0.33 -4.96 105.19 103.06 2hj6 n GLY 76 Ca 0.24 -1.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.16 2hj6 n GLY 76 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hj6 s GLY 77 N -3.22 2.46 0.31 -0.02 0.00 -1.26 -4.94 107.32 100.66 2hj6 s GLY 77 Ca 0.09 -0.17 0.08 0.00 0.00 0.00 0.00 44.72 44.72 2hj6 s GLY 77 CO 0.07 0.12 0.11 0.00 0.00 0.00 0.00 173.10 173.39 2hj6 s ALA 78 N -1.37 3.42 1.15 3.20 0.00 -1.26 -5.00 121.76 121.90 2hj6 s ALA 78 Ca 0.34 -1.74 -0.18 0.00 0.00 0.00 0.00 51.96 50.38 2hj6 s ALA 78 Cb -0.15 -0.80 0.26 0.00 0.00 0.00 0.00 23.12 22.43 2hj6 s ALA 78 CO 0.18 0.12 1.12 -1.25 0.00 0.00 0.00 175.76 175.93 2hj6 s PRO 79 N -3.80 -0.78 0.04 0.00 0.04 -1.26 -2.57 135.00 126.67 2hj6 s PRO 79 Ca 0.36 0.02 -0.24 0.00 0.04 0.00 0.00 61.00 61.17 2hj6 s PRO 79 Cb -0.04 -1.64 -0.17 0.00 0.04 0.00 0.00 34.50 32.69 2hj6 s PRO 79 CO 0.22 -3.44 1.53 -0.07 0.04 0.00 0.00 177.00 175.28 2hj6 h LEU 80 N -2.39 -0.01 -0.02 -3.56 4.07 -1.94 1.21 115.31 112.68 2hj6 h LEU 80 Ca -0.47 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.28 2hj6 h LEU 80 Cb 1.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.04 2hj6 h LEU 80 CO 0.39 0.21 0.00 0.00 -1.08 0.00 0.00 178.44 177.96 2hj6 n ALA 81 N -2.21 2.18 -1.38 1.53 0.00 -1.26 -2.86 120.51 116.52 2hj6 n ALA 81 Ca -0.08 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.36 2hj6 n ALA 81 Cb 0.13 -1.42 0.12 0.00 0.00 0.00 0.00 19.45 18.27 2hj6 n ALA 81 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2hj6 n LYS 82 N -1.58 1.01 0.00 0.00 5.02 -1.08 -4.94 118.16 116.59 2hj6 n LYS 82 Ca 0.06 -2.33 0.00 0.00 -2.02 0.00 0.00 58.31 54.02 2hj6 n LYS 82 Cb 0.31 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 2hj6 n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hj6 n GLY 83 N -1.04 1.60 0.29 0.72 0.00 -0.87 -4.27 105.19 101.61 2hj6 n GLY 83 Ca 0.13 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.03 2hj6 n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2hj6 h GLY 84 N 0.00 1.16 1.20 -0.02 0.00 0.18 -2.76 103.07 102.83 2hj6 h GLY 84 Ca 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 2hj6 h GLY 84 CO 0.00 0.11 0.02 1.41 0.00 0.00 0.00 176.54 178.09 2hj6 h LEU 85 N 0.72 0.94 -0.64 3.11 3.38 -1.71 0.30 115.31 121.41 2hj6 h LEU 85 Ca 0.37 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2hj6 h LEU 85 Cb 0.33 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2hj6 h LEU 85 CO -0.24 0.98 0.27 -0.25 0.09 0.00 0.00 178.44 179.29 2hj6 h TRP 86 N 0.90 0.96 -0.49 1.13 7.01 -1.74 0.44 115.95 124.15 2hj6 h TRP 86 Ca 0.17 -0.07 0.02 0.00 2.11 0.00 0.00 58.89 61.12 2hj6 h TRP 86 Cb 0.49 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 27.23 2hj6 h TRP 86 CO 0.03 0.75 0.30 1.96 -2.79 0.00 0.00 178.44 178.69 2hj6 h GLN 87 N 0.89 0.59 0.01 2.65 4.20 -0.49 -0.27 115.11 122.70 2hj6 h GLN 87 Ca 0.21 -0.04 -0.25 0.00 0.06 0.00 0.00 58.65 58.64 2hj6 h GLN 87 Cb 0.18 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 27.84 2hj6 h GLN 87 CO -0.02 0.39 -1.02 0.82 -0.67 0.00 0.00 178.83 178.34 2hj6 h ILE 88 N 0.61 1.33 0.00 2.54 2.04 -0.14 -2.72 117.51 121.18 2hj6 h ILE 88 Ca 0.19 -2.35 -0.00 0.00 1.00 0.00 0.00 64.86 63.71 2hj6 h ILE 88 Cb -0.01 2.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2hj6 h ILE 88 CO -0.07 0.71 -0.01 0.40 0.00 0.00 0.00 178.15 179.18 2hj6 h ILE 89 N 0.32 0.85 0.02 -0.67 2.04 0.01 0.17 117.51 120.26 2hj6 h ILE 89 Ca -0.11 -0.03 -0.22 0.00 1.00 0.00 0.00 64.86 65.50 2hj6 h ILE 89 Cb 1.67 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 2hj6 h ILE 89 CO 0.19 0.01 -0.96 0.74 0.00 0.00 0.00 178.15 178.13 2hj6 h THR 90 N 0.00 1.50 -0.40 -0.27 2.02 -0.96 0.77 112.91 115.57 2hj6 h THR 90 Ca -0.00 -2.74 -0.07 0.00 0.77 0.00 0.00 66.41 64.37 2hj6 h THR 90 Cb 0.02 2.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 2hj6 h THR 90 CO 0.00 0.80 -0.01 0.40 0.37 0.00 0.00 175.52 177.08 2hj6 h ILE 91 N 0.11 1.26 0.26 3.11 2.04 -0.89 -2.29 117.51 121.11 2hj6 h ILE 91 Ca -0.06 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 2hj6 h ILE 91 Cb 1.62 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 2hj6 h ILE 91 CO 0.15 0.35 -0.12 0.00 0.00 0.00 0.00 178.15 178.52 2hj6 h ALA 93 N 0.35 -0.02 -0.70 0.00 0.00 -0.78 0.27 119.26 118.38 2hj6 h ALA 93 Ca -0.04 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2hj6 h ALA 93 Cb 0.29 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2hj6 h ALA 93 CO 0.06 -0.63 0.18 1.15 0.00 0.00 0.00 179.25 180.01 2hj6 h THR 94 N -0.19 1.26 -0.25 0.00 2.02 -1.46 0.49 112.91 114.77 2hj6 h THR 94 Ca 0.18 -0.94 0.05 0.00 0.77 0.00 0.00 66.41 66.47 2hj6 h THR 94 Cb 0.47 0.52 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 2hj6 h THR 94 CO -0.49 0.36 -0.05 1.23 0.37 0.00 0.00 175.52 176.95 2hj6 h GLY 95 N 1.09 0.20 1.02 2.16 0.00 -0.50 0.11 103.07 107.14 2hj6 h GLY 95 Ca 0.22 0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.51 2hj6 h GLY 95 CO -0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 176.54 176.24 2hj6 h ALA 96 N 1.24 0.53 -0.14 3.60 0.00 0.52 0.17 119.26 125.19 2hj6 h ALA 96 Ca 0.12 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 2hj6 h ALA 96 Cb 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2hj6 h ALA 96 CO -0.25 0.50 -0.25 0.74 0.00 0.00 0.00 179.25 180.00 2hj6 h PHE 97 N 0.61 0.51 -0.73 0.00 0.04 0.03 -0.55 116.94 116.85 2hj6 h PHE 97 Ca 0.08 -0.18 -0.04 0.00 2.80 0.00 0.00 57.97 60.63 2hj6 h PHE 97 Cb 0.78 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.80 2hj6 h PHE 97 CO 0.06 0.87 0.31 0.28 -0.60 0.00 0.00 178.31 179.23 2hj6 h VAL 98 N 0.02 1.25 -0.75 -0.55 2.07 -0.95 -2.24 116.25 115.09 2hj6 h VAL 98 Ca 0.01 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2hj6 h VAL 98 Cb 0.83 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 2hj6 h VAL 98 CO 0.06 0.30 0.44 0.28 0.02 0.00 0.00 177.57 178.67 2hj6 h SER 99 N 1.03 0.91 -0.59 0.57 0.02 -0.56 -2.02 113.55 112.91 2hj6 h SER 99 Ca 0.25 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.17 2hj6 h SER 99 Cb 0.18 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 2hj6 h SER 99 CO -0.02 0.72 0.39 -0.25 -1.14 0.00 0.00 176.83 176.52 2hj6 h TRP 100 N 1.03 0.64 -0.30 3.45 2.91 -0.57 0.41 115.95 123.52 2hj6 h TRP 100 Ca 0.27 0.02 -0.13 0.00 1.13 0.00 0.00 58.89 60.17 2hj6 h TRP 100 Cb -0.02 -0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 28.41 2hj6 h TRP 100 CO -0.01 0.36 -0.32 0.00 -1.03 0.00 0.00 178.44 177.44 2hj6 h ALA 101 N 1.66 0.44 -0.10 2.65 0.00 -0.82 0.00 119.26 123.10 2hj6 h ALA 101 Ca 0.24 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 2hj6 h ALA 101 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2hj6 h ALA 101 CO -0.07 0.49 -0.57 -0.07 0.00 0.00 0.00 179.25 179.03 2hj6 h LEU 102 N 0.50 0.33 -0.24 0.00 3.38 -0.86 -1.16 115.31 117.26 2hj6 h LEU 102 Ca 0.04 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2hj6 h LEU 102 Cb 0.90 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2hj6 h LEU 102 CO 0.08 0.83 0.15 -0.09 0.09 0.00 0.00 178.44 179.50 2hj6 h ARG 103 N 0.23 0.33 -0.66 1.13 2.43 -0.75 -1.29 114.38 115.80 2hj6 h ARG 103 Ca -0.00 -0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.25 2hj6 h ARG 103 Cb 1.07 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.51 2hj6 h ARG 103 CO 0.09 0.26 0.44 0.93 -1.51 0.00 0.00 179.97 180.18 2hj6 h GLU 104 N 0.30 0.43 -0.37 0.20 5.08 0.15 -0.03 114.58 120.34 2hj6 h GLU 104 Ca 0.09 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 2hj6 h GLU 104 Cb 0.02 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2hj6 h GLU 104 CO -0.02 0.29 -0.32 0.28 -1.00 0.00 0.00 179.01 178.24 2hj6 h VAL 105 N 0.44 1.28 -0.39 3.13 2.07 -0.80 -1.12 116.25 120.86 2hj6 h VAL 105 Ca 0.31 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 2hj6 h VAL 105 Cb 0.61 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2hj6 h VAL 105 CO -0.09 0.49 0.17 -0.33 0.02 0.00 0.00 177.57 177.82 2hj6 h GLU 106 N 0.70 0.58 -0.82 1.57 5.08 0.11 0.02 114.58 121.82 2hj6 h GLU 106 Ca 0.07 -0.10 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 2hj6 h GLU 106 Cb 0.87 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.96 2hj6 h GLU 106 CO 0.08 0.54 0.49 0.82 -1.00 0.00 0.00 179.01 179.94 2hj6 h ILE 107 N 0.49 1.01 -0.40 3.13 2.04 -1.07 -0.94 117.51 121.77 2hj6 h ILE 107 Ca 0.13 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 2hj6 h ILE 107 Cb 0.17 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 2hj6 h ILE 107 CO -0.01 0.16 0.12 0.00 0.00 0.00 0.00 178.15 178.42 2hj6 h ARG 109 N 0.50 1.03 -0.44 0.00 3.08 -0.57 0.74 114.38 118.72 2hj6 h ARG 109 Ca 0.13 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 2hj6 h ARG 109 Cb 0.26 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2hj6 h ARG 109 CO -0.00 0.68 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.32 2hj6 h LYS 110 N 1.07 0.75 -0.01 0.04 3.64 -0.98 -3.10 116.57 117.97 2hj6 h LYS 110 Ca 0.30 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2hj6 h LYS 110 Cb -0.09 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2hj6 h LYS 110 CO -0.08 0.79 -0.10 1.28 -2.27 0.00 0.00 179.45 179.07 2hj6 n LEU 111 N -4.20 1.36 -2.91 5.20 4.77 -0.42 -4.95 117.00 115.85 2hj6 n LEU 111 Ca 0.02 -0.42 -0.22 0.00 -0.03 0.00 0.00 56.01 55.36 2hj6 n LEU 111 Cb 0.32 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.38 2hj6 n LEU 111 CO 0.42 0.23 -0.07 0.61 -1.33 0.00 0.00 177.39 177.26 2hj6 n GLY 112 N 1.25 -0.51 3.98 -0.72 0.00 0.20 -5.00 105.19 104.38 2hj6 n GLY 112 Ca 0.16 0.09 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 2hj6 n GLY 112 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2hj6 s ILE 113 N -3.09 1.89 0.82 -0.61 -4.36 -0.86 -5.06 121.20 109.94 2hj6 s ILE 113 Ca 0.24 -1.21 -0.12 0.00 -0.26 0.00 0.00 60.65 59.30 2hj6 s ILE 113 Cb -0.11 -2.10 0.08 0.00 1.25 0.00 0.00 42.46 41.58 2hj6 s ILE 113 CO 0.30 0.00 1.15 -0.83 0.24 0.00 0.00 174.94 175.79 2hj6 s GLY 114 N -4.52 1.60 -0.37 6.27 0.00 -1.26 -4.72 107.32 104.32 2hj6 s GLY 114 Ca 0.50 -0.52 0.08 0.00 0.00 0.00 0.00 44.72 44.78 2hj6 s GLY 114 CO 0.31 -0.04 1.85 -1.72 0.00 0.00 0.00 173.10 173.50 2hj6 n TYR 115 N -3.40 2.67 -0.08 1.90 4.01 -1.26 -4.66 117.16 116.35 2hj6 n TYR 115 Ca 0.07 -1.45 -0.09 0.00 -0.16 0.00 0.00 57.90 56.27 2hj6 n TYR 115 Cb 0.59 -0.78 -0.02 0.00 -0.31 0.00 0.00 39.34 38.82 2hj6 n TYR 115 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2hj6 h HIS 116 N 2.04 0.35 0.47 -0.72 3.86 -1.99 -2.71 115.15 116.46 2hj6 h HIS 116 Ca 0.40 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.60 2hj6 h HIS 116 Cb 2.53 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 30.86 2hj6 h HIS 116 CO 1.40 0.24 -0.39 0.82 0.86 0.00 0.00 177.93 180.87 2hj6 h ILE 117 N 0.36 0.22 -0.25 2.45 2.04 -1.99 0.33 117.51 120.67 2hj6 h ILE 117 Ca 0.10 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 2hj6 h ILE 117 Cb -0.02 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 2hj6 h ILE 117 CO -0.02 0.00 0.04 1.55 0.00 0.00 0.00 178.15 179.72 2hj6 h PRO 118 N -0.85 0.36 -0.36 2.37 0.13 -1.89 0.16 132.00 131.92 2hj6 h PRO 118 Ca -0.05 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.02 2hj6 h PRO 118 Cb 0.73 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.78 2hj6 h PRO 118 CO -0.01 0.35 0.16 0.35 -0.23 0.00 0.00 178.00 178.62 2hj6 h PHE 119 N 0.35 0.53 -0.30 1.56 3.57 -1.07 -2.35 116.94 119.23 2hj6 h PHE 119 Ca 0.08 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.57 2hj6 h PHE 119 Cb 0.17 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 2hj6 h PHE 119 CO 0.00 0.47 0.15 0.00 -2.23 0.00 0.00 178.31 176.70 2hj6 h ALA 120 N 1.01 0.37 -0.55 2.41 0.00 0.04 -1.42 119.26 121.12 2hj6 h ALA 120 Ca 0.12 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2hj6 h ALA 120 Cb 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2hj6 h ALA 120 CO -0.01 -0.24 0.37 0.35 0.00 0.00 0.00 179.25 179.72 2hj6 h PHE 121 N 0.31 0.53 -0.81 0.00 3.57 -0.63 -1.45 116.94 118.46 2hj6 h PHE 121 Ca 0.13 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.72 2hj6 h PHE 121 Cb 0.04 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.56 2hj6 h PHE 121 CO -0.10 0.29 0.53 0.00 -2.23 0.00 0.00 178.31 176.80 2hj6 h ALA 122 N 1.70 1.67 -0.24 2.41 0.00 -0.70 0.15 119.26 124.26 2hj6 h ALA 122 Ca 0.23 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2hj6 h ALA 122 Cb 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2hj6 h ALA 122 CO -0.07 0.18 0.06 0.74 0.00 0.00 0.00 179.25 180.16 2hj6 h PHE 123 N 0.82 0.09 -0.40 0.00 -1.00 -1.22 0.17 116.94 115.40 2hj6 h PHE 123 Ca 0.36 0.01 0.05 0.00 2.81 0.00 0.00 57.97 61.21 2hj6 h PHE 123 Cb 0.33 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 39.84 2hj6 h PHE 123 CO -0.00 0.03 0.12 0.00 -1.61 0.00 0.00 178.31 176.85 2hj6 h ALA 124 N 1.17 0.46 -0.84 2.45 0.00 -0.77 -0.44 119.26 121.28 2hj6 h ALA 124 Ca 0.11 0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.25 2hj6 h ALA 124 Cb 0.10 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 17.83 2hj6 h ALA 124 CO -0.13 -0.28 0.36 0.82 0.00 0.00 0.00 179.25 180.02 2hj6 h ILE 125 N 0.27 0.59 -0.55 0.00 2.04 -0.95 -1.33 117.51 117.59 2hj6 h ILE 125 Ca 0.19 -0.16 -0.11 0.00 1.00 0.00 0.00 64.86 65.78 2hj6 h ILE 125 Cb 0.19 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 2hj6 h ILE 125 CO -0.21 0.08 -0.09 -0.07 0.00 0.00 0.00 178.15 177.86 2hj6 h LEU 126 N 0.46 1.01 0.11 1.44 3.38 0.65 0.13 115.31 122.49 2hj6 h LEU 126 Ca 0.49 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2hj6 h LEU 126 Cb 0.81 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2hj6 h LEU 126 CO -0.45 1.11 -0.11 0.00 0.09 0.00 0.00 178.44 179.08 2hj6 h ALA 127 N 0.98 -0.21 -0.28 1.53 0.00 -0.74 0.63 119.26 121.17 2hj6 h ALA 127 Ca 0.15 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.09 2hj6 h ALA 127 Cb 0.65 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 2hj6 h ALA 127 CO 0.04 -0.63 -0.21 -0.92 0.00 0.00 0.00 179.25 177.53 2hj6 h TYR 128 N -0.24 -0.54 0.00 0.00 3.20 -0.93 -1.44 116.97 117.02 2hj6 h TYR 128 Ca 0.00 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 2hj6 h TYR 128 Cb 0.23 0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 2hj6 h TYR 128 CO -0.11 -0.28 -0.16 -0.07 -1.64 0.00 0.00 178.16 175.90 2hj6 h LEU 129 N -0.19 0.00 0.64 2.82 3.38 0.27 -1.21 115.31 121.02 2hj6 h LEU 129 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2hj6 h LEU 129 Cb 0.42 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.18 2hj6 h LEU 129 CO -0.39 0.16 -0.31 0.74 0.09 0.00 0.00 178.44 178.72 2hj6 h THR 130 N 0.00 0.33 -0.80 0.22 2.02 0.10 0.38 112.91 115.16 2hj6 h THR 130 Ca -0.00 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.09 2hj6 h THR 130 Cb 0.47 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 2hj6 h THR 130 CO 0.02 0.02 0.53 -0.07 0.37 0.00 0.00 175.52 176.38 2hj6 h LEU 131 N -0.95 0.87 0.00 2.58 3.38 -0.36 -1.90 115.31 118.94 2hj6 h LEU 131 Ca -0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2hj6 h LEU 131 Cb 0.69 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2hj6 h LEU 131 CO 0.15 0.60 -1.73 1.33 0.09 0.00 0.00 178.44 178.88 2hj6 n VAL 132 N -4.44 0.00 0.03 1.22 0.24 -0.55 -4.34 118.33 110.49 2hj6 n VAL 132 Ca 0.10 -0.38 -0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2hj6 n VAL 132 Cb 0.09 0.20 -0.00 0.00 -1.47 0.00 0.00 33.84 32.66 2hj6 n VAL 132 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 2hj6 n LEU 133 N -2.06 0.77 -0.29 1.34 0.00 0.11 -4.55 117.00 112.32 2hj6 n LEU 133 Ca -0.02 0.10 -0.06 0.00 0.00 0.00 0.00 56.01 56.02 2hj6 n LEU 133 Cb 0.47 -0.24 0.07 0.00 0.00 0.00 0.00 43.42 43.72 2hj6 n LEU 133 CO 0.40 -0.67 1.04 -0.26 0.00 0.00 0.00 177.39 177.90 2hj6 h PHE 134 N -0.01 1.22 0.22 1.96 0.04 -0.87 0.34 116.94 119.84 2hj6 h PHE 134 Ca 0.00 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 2hj6 h PHE 134 Cb 0.01 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 37.80 2hj6 h PHE 134 CO -0.01 0.93 -0.10 -0.09 -0.60 0.00 0.00 178.31 178.44 2hj6 h ARG 135 N 1.16 -0.28 -0.69 1.51 2.43 -1.56 -1.12 114.38 115.83 2hj6 h ARG 135 Ca 0.26 0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.60 2hj6 h ARG 135 Cb 0.23 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 2hj6 h ARG 135 CO -0.02 0.04 0.47 -1.35 -1.51 0.00 0.00 179.97 177.60 2hj6 h PRO 136 N -0.97 0.31 -0.16 0.20 0.11 -1.73 -1.46 132.00 128.29 2hj6 h PRO 136 Ca -0.03 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 2hj6 h PRO 136 Cb 0.45 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 2hj6 h PRO 136 CO 0.05 0.21 -0.08 0.28 -0.21 0.00 0.00 178.00 178.25 2hj6 h VAL 137 N 0.32 1.31 0.00 3.15 2.07 -0.23 -1.67 116.25 121.19 2hj6 h VAL 137 Ca 0.34 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 2hj6 h VAL 137 Cb 0.87 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2hj6 h VAL 137 CO -0.09 0.33 -0.18 0.24 0.02 0.00 0.00 177.57 177.89 2hj6 h MET 138 N 0.02 0.00 0.04 1.57 2.86 -0.76 -2.59 114.93 116.07 2hj6 h MET 138 Ca 0.04 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.44 2hj6 h MET 138 Cb 0.55 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2hj6 h MET 138 CO 0.02 0.18 -1.18 0.52 1.06 0.00 0.00 176.91 177.51 2hj6 h MET 139 N 0.00 0.08 0.00 1.72 2.86 -1.21 -3.49 114.93 114.90 2hj6 h MET 139 Ca -0.00 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2hj6 h MET 139 Cb 0.33 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.04 2hj6 h MET 139 CO 0.02 1.01 0.00 0.41 1.06 0.00 0.00 176.91 179.41 2hj6 n GLY 140 N 1.44 0.93 3.14 8.32 0.00 -0.67 -5.11 105.19 113.24 2hj6 n GLY 140 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 2hj6 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hj6 s ALA 141 N -2.00 -0.51 0.26 4.61 0.00 -0.97 -2.65 121.76 120.50 2hj6 s ALA 141 Ca 0.00 0.23 0.30 0.00 0.00 0.00 0.00 51.96 52.49 2hj6 s ALA 141 Cb 0.00 -0.06 1.35 0.00 0.00 0.00 0.00 23.12 24.40 2hj6 s ALA 141 CO 0.00 -0.18 2.00 -1.49 0.00 0.00 0.00 175.76 176.08 2hj6 h TRP 142 N 4.71 0.00 -0.18 0.00 4.06 -1.58 -2.59 115.95 120.37 2hj6 h TRP 142 Ca -0.29 0.00 0.05 0.00 2.06 0.00 0.00 58.89 60.71 2hj6 h TRP 142 Cb 1.19 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.34 2hj6 h TRP 142 CO 0.51 0.11 0.37 0.78 -3.56 0.00 0.00 178.44 176.66 2hj6 h GLY 143 N 1.50 0.00 1.44 1.49 0.00 -1.79 -2.49 103.07 103.21 2hj6 h GLY 143 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hj6 h GLY 143 CO 0.01 0.00 -0.08 -1.72 0.00 0.00 0.00 176.54 174.76 2hj6 n TYR 144 N -3.27 0.00 -1.89 5.60 4.01 -0.98 -4.82 117.16 115.81 2hj6 n TYR 144 Ca 0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.46 2hj6 n TYR 144 Cb 0.48 -0.31 0.05 0.00 -0.31 0.00 0.00 39.34 39.25 2hj6 n TYR 144 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2hj6 s ALA 145 N -2.69 2.90 0.46 -0.72 0.00 -0.94 -4.84 121.76 115.92 2hj6 s ALA 145 Ca 0.23 -0.35 -0.09 0.00 0.00 0.00 0.00 51.96 51.75 2hj6 s ALA 145 Cb 0.20 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 2hj6 s ALA 145 CO 0.50 -1.15 0.82 -0.59 0.00 0.00 0.00 175.76 175.35 2hj6 s PHE 146 N -3.36 3.51 0.13 0.00 -0.12 -1.26 -4.87 117.98 112.02 2hj6 s PHE 146 Ca 0.58 1.04 0.02 0.00 -0.05 0.00 0.00 56.93 58.52 2hj6 s PHE 146 Cb -0.11 -2.46 -0.04 0.00 -0.63 0.00 0.00 43.02 39.78 2hj6 s PHE 146 CO 0.52 -0.24 0.27 -1.25 -0.05 0.00 0.00 175.22 174.47 2hj6 s PRO 147 N -4.28 3.44 -0.65 1.99 0.04 -1.26 -4.72 135.00 129.56 2hj6 s PRO 147 Ca 0.51 -0.56 -0.22 0.00 0.04 0.00 0.00 61.00 60.77 2hj6 s PRO 147 Cb -0.10 -2.98 0.07 0.00 0.04 0.00 0.00 34.50 31.53 2hj6 s PRO 147 CO 0.38 0.53 0.95 0.71 0.04 0.00 0.00 177.00 179.61 2hj6 s TYR 148 N -1.70 2.70 -0.15 0.56 2.02 0.12 -4.10 117.35 116.80 2hj6 s TYR 148 Ca 0.35 -0.58 -0.29 0.00 -0.37 0.00 0.00 57.07 56.18 2hj6 s TYR 148 Cb -0.11 -4.27 0.09 0.00 -0.40 0.00 0.00 41.96 37.27 2hj6 s TYR 148 CO 0.28 -1.62 0.82 0.20 -1.57 0.00 0.00 175.55 173.66 2hj6 s GLY 149 N 3.68 -0.43 0.22 0.71 0.00 -1.26 -0.53 107.32 109.70 2hj6 s GLY 149 Ca 0.21 1.82 -0.08 0.00 0.00 0.00 0.00 44.72 46.67 2hj6 s GLY 149 CO 0.10 1.24 1.84 -2.22 0.00 0.00 0.00 173.10 174.05 2hj6 h ILE 150 N 3.14 1.04 0.00 0.90 2.04 -1.77 -1.92 117.51 120.93 2hj6 h ILE 150 Ca -0.25 -0.29 -0.38 0.00 1.00 0.00 0.00 64.86 64.93 2hj6 h ILE 150 Cb 1.15 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 2hj6 h ILE 150 CO 0.27 0.15 -2.34 0.79 0.00 0.00 0.00 178.15 177.02 2hj6 n TRP 151 N -4.68 0.00 -0.25 1.37 7.02 -1.26 -4.32 117.44 115.31 2hj6 n TRP 151 Ca 0.10 0.00 0.27 0.00 -1.02 0.00 0.00 57.50 56.84 2hj6 n TRP 151 Cb 0.15 -0.88 0.64 0.00 -2.42 0.00 0.00 31.31 28.79 2hj6 n TRP 151 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 2hj6 h THR 152 N -0.50 0.54 -0.16 -0.99 1.35 -1.91 0.12 112.91 111.36 2hj6 h THR 152 Ca -0.58 -0.06 -0.16 0.00 -0.55 0.00 0.00 66.41 65.07 2hj6 h THR 152 Cb 1.65 0.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.42 2hj6 h THR 152 CO -0.25 0.03 -0.57 1.12 -0.25 0.00 0.00 175.52 175.60 2hj6 h HIS 153 N 0.17 0.63 -0.30 4.73 2.07 -1.49 -1.75 115.15 119.20 2hj6 h HIS 153 Ca 0.50 -0.23 -0.10 0.00 -2.85 0.00 0.00 60.37 57.69 2hj6 h HIS 153 Cb 1.67 -0.12 -0.01 0.00 2.57 0.00 0.00 27.41 31.52 2hj6 h HIS 153 CO -0.00 0.95 -0.23 -0.07 -3.07 0.00 0.00 177.93 175.51 2hj6 h LEU 154 N 0.38 0.58 -0.54 6.12 4.07 -1.10 -1.33 115.31 123.50 2hj6 h LEU 154 Ca 0.00 -0.20 0.09 0.00 0.08 0.00 0.00 57.88 57.86 2hj6 h LEU 154 Cb 1.10 -0.16 -0.07 0.00 1.08 0.00 0.00 40.66 42.62 2hj6 h LEU 154 CO 0.10 0.80 0.15 0.44 -1.08 0.00 0.00 178.44 178.86 2hj6 h ASP 155 N 0.51 0.09 -0.62 -0.43 5.19 -0.65 -2.23 116.42 118.28 2hj6 h ASP 155 Ca 0.08 0.08 -0.07 0.00 -0.62 0.00 0.00 57.03 56.50 2hj6 h ASP 155 Cb 0.67 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.25 2hj6 h ASP 155 CO 0.05 0.07 0.10 -0.25 -3.12 0.00 0.00 179.24 176.09 2hj6 h TRP 156 N 0.30 1.10 -0.92 4.55 7.01 -0.59 -1.71 115.95 125.70 2hj6 h TRP 156 Ca 0.27 -0.15 0.02 0.00 2.11 0.00 0.00 58.89 61.14 2hj6 h TRP 156 Cb 0.35 -0.30 -0.05 0.00 -2.10 0.00 0.00 29.16 27.06 2hj6 h TRP 156 CO -0.20 0.94 0.60 0.28 -2.79 0.00 0.00 178.44 177.27 2hj6 h VAL 157 N 0.94 1.20 0.19 2.65 2.07 -1.14 -0.21 116.25 121.95 2hj6 h VAL 157 Ca 0.19 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2hj6 h VAL 157 Cb 0.43 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2hj6 h VAL 157 CO 0.01 0.22 -0.09 -1.28 0.02 0.00 0.00 177.57 176.45 2hj6 h SER 158 N 1.20 -0.22 -0.99 0.57 0.87 -0.99 -2.03 113.55 111.96 2hj6 h SER 158 Ca 0.35 -0.20 0.28 0.00 -1.23 0.00 0.00 61.79 60.99 2hj6 h SER 158 Cb -0.07 0.06 -0.18 0.00 -0.44 0.00 0.00 62.40 61.76 2hj6 h SER 158 CO -0.10 0.32 0.04 0.59 -0.53 0.00 0.00 176.83 177.15 2hj6 n ASN 159 N -4.94 -0.10 -0.02 6.23 4.13 -0.68 -0.82 115.26 119.06 2hj6 n ASN 159 Ca -0.06 1.68 -0.16 0.00 1.68 0.00 0.00 54.58 57.73 2hj6 n ASN 159 Cb 0.20 -0.62 -0.10 0.00 -1.54 0.00 0.00 39.78 37.73 2hj6 n ASN 159 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 2hj6 h THR 160 N 0.00 1.43 -0.78 3.41 2.02 -0.92 -2.08 112.91 115.98 2hj6 h THR 160 Ca 0.61 -1.81 0.04 0.00 0.77 0.00 0.00 66.41 66.01 2hj6 h THR 160 Cb 1.27 2.38 -0.05 0.00 -1.74 0.00 0.00 68.15 70.01 2hj6 h THR 160 CO -0.93 0.52 0.49 1.23 0.37 0.00 0.00 175.52 177.21 2hj6 h GLY 161 N -0.13 1.14 2.00 2.16 0.00 -0.62 -2.80 103.07 104.82 2hj6 h GLY 161 Ca -0.03 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 2hj6 h GLY 161 CO 0.08 0.30 -0.17 -0.97 0.00 0.00 0.00 176.54 175.78 2hj6 h TYR 162 N 0.94 0.00 -0.66 5.60 0.05 -0.72 -1.61 116.97 120.57 2hj6 h TYR 162 Ca 0.32 0.00 0.19 0.00 0.05 0.00 0.00 58.73 59.29 2hj6 h TYR 162 Cb 0.05 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.76 2hj6 h TYR 162 CO -0.03 0.17 0.60 1.15 -1.05 0.00 0.00 178.16 179.00 2hj6 h THR 163 N 0.00 0.39 -0.49 -2.88 2.02 -1.09 0.06 112.91 110.92 2hj6 h THR 163 Ca -0.00 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 66.89 2hj6 h THR 163 Cb 1.04 0.54 -0.18 0.00 -1.74 0.00 0.00 68.15 67.81 2hj6 h THR 163 CO 0.02 0.00 -0.09 -1.22 0.37 0.00 0.00 175.52 174.60 2hj6 n TYR 164 N -3.85 1.59 -4.42 3.16 4.01 -0.61 -4.80 117.16 112.24 2hj6 n TYR 164 Ca 0.13 -1.85 0.00 0.00 -0.16 0.00 0.00 57.90 56.02 2hj6 n TYR 164 Cb 0.85 -0.57 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 2hj6 n TYR 164 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hj6 n GLY 165 N -1.05 0.47 3.60 2.72 0.00 0.01 -2.03 105.19 108.91 2hj6 n GLY 165 Ca 0.39 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 2hj6 n GLY 165 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hj6 s ASN 166 N -4.00 6.25 0.05 1.61 2.47 -1.26 -3.87 114.94 116.18 2hj6 s ASN 166 Ca 0.00 1.03 0.07 0.00 0.42 0.00 0.00 52.86 54.38 2hj6 s ASN 166 Cb 0.00 -2.54 0.32 0.00 -1.45 0.00 0.00 41.25 37.59 2hj6 s ASN 166 CO 0.00 -1.47 1.22 0.33 -3.72 0.00 0.00 177.10 173.46 2hj6 n PHE 167 N 9.09 0.12 0.07 0.43 7.35 -1.26 -2.46 117.46 130.80 2hj6 n PHE 167 Ca 0.18 0.06 0.19 0.00 -0.76 0.00 0.00 57.45 57.12 2hj6 n PHE 167 Cb 0.47 -0.59 0.72 0.00 0.35 0.00 0.00 39.48 40.43 2hj6 n PHE 167 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2hj6 h HIS 168 N 0.00 0.00 -0.00 -5.13 3.86 -1.94 -1.22 115.15 110.72 2hj6 h HIS 168 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2hj6 h HIS 168 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 2hj6 h HIS 168 CO 0.00 0.00 -0.01 0.66 0.86 0.00 0.00 177.93 179.44 2hj6 n TYR 169 N -4.21 0.00 -1.79 2.45 4.02 -1.03 -4.51 117.16 112.08 2hj6 n TYR 169 Ca 0.07 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.54 2hj6 n TYR 169 Cb 0.52 -0.24 -0.03 0.00 -0.02 0.00 0.00 39.34 39.57 2hj6 n TYR 169 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 2hj6 s ASN 170 N -2.50 6.38 0.23 7.72 3.84 -0.46 -4.73 114.94 125.41 2hj6 s ASN 170 Ca 0.31 2.37 0.08 0.00 0.21 0.00 0.00 52.86 55.83 2hj6 s ASN 170 Cb 0.20 -2.53 0.21 0.00 -0.55 0.00 0.00 41.25 38.59 2hj6 s ASN 170 CO 0.45 -1.15 1.53 1.55 -2.79 0.00 0.00 177.10 176.69 2hj6 h PRO 171 N 10.88 0.05 -0.42 0.43 0.13 -1.89 -1.83 132.00 139.36 2hj6 h PRO 171 Ca -0.44 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 2hj6 h PRO 171 Cb 1.21 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2hj6 h PRO 171 CO 0.95 0.73 0.02 0.00 -0.23 0.00 0.00 178.00 179.47 2hj6 h ALA 172 N 1.25 1.26 -0.20 -0.56 0.00 -1.92 -2.65 119.26 116.44 2hj6 h ALA 172 Ca -0.01 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 2hj6 h ALA 172 Cb 1.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2hj6 h ALA 172 CO 0.10 0.50 -0.49 1.25 0.00 0.00 0.00 179.25 180.61 2hj6 h HIS 173 N 0.63 0.65 -1.00 0.00 6.17 -1.72 0.13 115.15 120.00 2hj6 h HIS 173 Ca 0.13 -0.21 0.01 0.00 0.71 0.00 0.00 60.37 61.01 2hj6 h HIS 173 Cb 0.37 -0.13 -0.05 0.00 2.52 0.00 0.00 27.41 30.12 2hj6 h HIS 173 CO 0.02 0.92 0.66 0.52 0.71 0.00 0.00 177.93 180.75 2hj6 h MET 174 N 0.42 1.30 0.02 5.26 2.86 -1.19 -0.08 114.93 123.52 2hj6 h MET 174 Ca 0.02 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2hj6 h MET 174 Cb 1.01 -0.29 0.00 0.00 0.06 0.00 0.00 31.60 32.38 2hj6 h MET 174 CO 0.09 0.86 -0.01 0.82 1.06 0.00 0.00 176.91 179.73 2hj6 h ILE 175 N 1.34 1.29 -0.67 -1.22 2.04 -1.04 -1.97 117.51 117.27 2hj6 h ILE 175 Ca 0.37 -0.98 0.07 0.00 1.00 0.00 0.00 64.86 65.32 2hj6 h ILE 175 Cb -0.14 1.94 -0.09 0.00 -0.74 0.00 0.00 36.82 37.79 2hj6 h ILE 175 CO -0.08 0.25 -0.52 0.00 0.00 0.00 0.00 178.15 177.80 2hj6 h ALA 176 N 0.51 -0.60 -0.86 1.87 0.00 -0.64 -1.57 119.26 117.97 2hj6 h ALA 176 Ca -0.00 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.06 2hj6 h ALA 176 Cb 0.43 1.23 -0.07 0.00 0.00 0.00 0.00 17.79 19.38 2hj6 h ALA 176 CO 0.01 -0.92 0.51 0.82 0.00 0.00 0.00 179.25 179.67 2hj6 h ILE 177 N -0.15 0.93 -0.20 0.00 2.04 -0.94 -0.32 117.51 118.87 2hj6 h ILE 177 Ca 0.11 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 2hj6 h ILE 177 Cb 0.44 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 2hj6 h ILE 177 CO -0.71 0.16 -0.13 0.28 0.00 0.00 0.00 178.15 177.74 2hj6 h SER 178 N 0.86 0.31 -0.16 1.72 0.02 -0.52 -1.02 113.55 114.75 2hj6 h SER 178 Ca 0.41 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.23 2hj6 h SER 178 Cb 0.35 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 2hj6 h SER 178 CO -0.24 0.47 -0.13 -0.26 -1.14 0.00 0.00 176.83 175.54 2hj6 h PHE 179 N 0.31 0.44 -0.88 3.45 0.04 -0.19 -0.53 116.94 119.58 2hj6 h PHE 179 Ca 0.06 -0.12 0.04 0.00 2.80 0.00 0.00 57.97 60.75 2hj6 h PHE 179 Cb 0.42 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.43 2hj6 h PHE 179 CO 0.01 0.73 0.58 0.74 -0.60 0.00 0.00 178.31 179.77 2hj6 h PHE 180 N 0.02 1.06 -0.09 -0.55 0.04 -0.71 0.25 116.94 116.97 2hj6 h PHE 180 Ca 0.03 0.03 -0.23 0.00 2.80 0.00 0.00 57.97 60.60 2hj6 h PHE 180 Cb 0.64 -0.35 0.01 0.00 2.20 0.00 0.00 35.95 38.45 2hj6 h PHE 180 CO 0.08 0.61 -0.84 0.74 -0.60 0.00 0.00 178.31 178.29 2hj6 h PHE 181 N 1.09 0.91 -0.17 -0.55 0.04 -1.09 -2.53 116.94 114.64 2hj6 h PHE 181 Ca 0.36 -0.43 -0.14 0.00 2.80 0.00 0.00 57.97 60.56 2hj6 h PHE 181 Cb 0.05 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 2hj6 h PHE 181 CO -0.00 1.25 -0.48 1.15 -0.60 0.00 0.00 178.31 179.63 2hj6 h THR 182 N 0.42 1.32 -0.17 -1.55 2.02 -0.58 -0.51 112.91 113.86 2hj6 h THR 182 Ca -0.07 -1.69 0.03 0.00 0.77 0.00 0.00 66.41 65.46 2hj6 h THR 182 Cb 1.47 1.71 -0.03 0.00 -1.74 0.00 0.00 68.15 69.56 2hj6 h THR 182 CO 0.16 0.52 -0.04 -1.13 0.37 0.00 0.00 175.52 175.40 2hj6 h ASN 183 N 0.35 -0.16 -0.80 4.18 -1.24 -0.94 0.70 115.58 117.68 2hj6 h ASN 183 Ca 0.02 0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.06 2hj6 h ASN 183 Cb 0.97 0.10 -0.04 0.00 0.73 0.00 0.00 38.32 40.08 2hj6 h ASN 183 CO 0.08 -0.06 0.43 0.00 -1.29 0.00 0.00 177.43 176.60 2hj6 h ALA 184 N 1.17 1.02 0.20 1.57 0.00 -1.05 0.17 119.26 122.34 2hj6 h ALA 184 Ca 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2hj6 h ALA 184 Cb 0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2hj6 h ALA 184 CO -0.17 0.54 -0.28 1.25 0.00 0.00 0.00 179.25 180.58 2hj6 h LEU 185 N 1.11 -0.78 -0.85 0.00 6.46 -0.75 -1.42 115.31 119.07 2hj6 h LEU 185 Ca 0.28 0.08 0.13 0.00 -0.12 0.00 0.00 57.88 58.25 2hj6 h LEU 185 Cb 0.04 0.28 -0.09 0.00 -0.73 0.00 0.00 40.66 40.16 2hj6 h LEU 185 CO -0.04 -0.39 0.46 0.00 -0.62 0.00 0.00 178.44 177.85 2hj6 h ALA 186 N 0.10 1.26 0.09 1.25 0.00 -0.33 -0.36 119.26 121.29 2hj6 h ALA 186 Ca 0.01 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2hj6 h ALA 186 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2hj6 h ALA 186 CO -0.11 -0.02 -0.05 1.25 0.00 0.00 0.00 179.25 180.33 2hj6 h LEU 187 N 0.70 -0.11 -0.52 0.00 5.85 -0.79 0.21 115.31 120.65 2hj6 h LEU 187 Ca 0.45 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 59.14 2hj6 h LEU 187 Cb 0.56 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.51 2hj6 h LEU 187 CO -0.32 0.07 -0.14 0.00 -0.34 0.00 0.00 178.44 177.71 2hj6 h ALA 188 N 0.61 0.32 -0.27 1.25 0.00 -0.71 0.96 119.26 121.43 2hj6 h ALA 188 Ca -0.01 0.20 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2hj6 h ALA 188 Cb 0.23 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2hj6 h ALA 188 CO 0.02 -0.45 -0.22 -0.07 0.00 0.00 0.00 179.25 178.54 2hj6 h LEU 189 N -0.01 0.65 -0.24 0.00 3.38 -0.92 -0.55 115.31 117.61 2hj6 h LEU 189 Ca 0.25 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2hj6 h LEU 189 Cb 0.40 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2hj6 h LEU 189 CO -0.55 0.97 -0.04 -0.74 0.09 0.00 0.00 178.44 178.17 2hj6 h HIS 190 N 0.34 0.51 -0.37 1.13 2.76 -0.30 0.36 115.15 119.58 2hj6 h HIS 190 Ca 0.05 -0.10 0.07 0.00 -2.20 0.00 0.00 60.37 58.19 2hj6 h HIS 190 Cb 0.76 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 29.53 2hj6 h HIS 190 CO 0.07 0.67 -0.04 0.78 -1.30 0.00 0.00 177.93 178.11 2hj6 h GLY 191 N 0.20 0.33 1.76 5.26 0.00 -0.84 -2.40 103.07 107.38 2hj6 h GLY 191 Ca 0.06 0.07 -0.13 0.00 0.00 0.00 0.00 47.33 47.33 2hj6 h GLY 191 CO 0.02 -0.11 -0.54 0.00 0.00 0.00 0.00 176.54 175.91 2hj6 h ALA 192 N 1.35 0.92 -0.00 3.60 0.00 -0.01 -2.58 119.26 122.53 2hj6 h ALA 192 Ca 0.18 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2hj6 h ALA 192 Cb 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2hj6 h ALA 192 CO -0.34 0.69 -0.01 1.25 0.00 0.00 0.00 179.25 180.84 2hj6 h LEU 193 N 0.20 0.01 -0.16 0.00 5.85 -0.03 0.19 115.31 121.37 2hj6 h LEU 193 Ca 0.00 -0.68 0.04 0.00 0.84 0.00 0.00 57.88 58.09 2hj6 h LEU 193 Cb 1.02 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 2hj6 h LEU 193 CO 0.08 0.69 -0.10 0.58 -0.34 0.00 0.00 178.44 179.35 2hj6 h VAL 194 N -0.66 0.71 -0.92 1.05 2.07 -1.49 -2.19 116.25 114.81 2hj6 h VAL 194 Ca -0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 2hj6 h VAL 194 Cb 0.69 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 2hj6 h VAL 194 CO 0.00 0.00 0.60 -0.07 0.02 0.00 0.00 177.57 178.12 2hj6 h LEU 195 N -0.09 1.07 -1.67 2.57 3.38 -1.37 0.19 115.31 119.40 2hj6 h LEU 195 Ca 0.09 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2hj6 h LEU 195 Cb 0.23 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2hj6 h LEU 195 CO -0.22 0.79 -0.07 0.77 0.09 0.00 0.00 178.44 179.80 2hj6 h SER 196 N 1.26 0.11 0.01 -0.43 4.64 -0.75 0.06 113.55 118.45 2hj6 h SER 196 Ca 0.34 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.53 2hj6 h SER 196 Cb -0.12 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 61.95 2hj6 h SER 196 CO -0.07 0.20 -0.43 0.00 -0.87 0.00 0.00 176.83 175.66 2hj6 h ALA 197 N 1.81 0.04 0.00 5.18 0.00 -0.58 -3.24 119.26 122.48 2hj6 h ALA 197 Ca 0.03 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2hj6 h ALA 197 Cb 0.21 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2hj6 h ALA 197 CO 0.01 0.22 -0.11 0.00 0.00 0.00 0.00 179.25 179.36 2hj6 h ALA 198 N 0.27 1.16 -1.86 0.00 0.00 -0.22 -2.22 119.26 116.38 2hj6 h ALA 198 Ca -0.06 -0.10 -0.48 0.00 0.00 0.00 0.00 54.91 54.27 2hj6 h ALA 198 Cb 1.18 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.55 2hj6 h ALA 198 CO 0.08 0.14 -1.11 0.09 0.00 0.00 0.00 179.25 178.46 2hj6 n ASN 199 N -3.46 1.55 -2.93 0.00 3.02 -0.03 -4.77 115.26 108.63 2hj6 n ASN 199 Ca -0.01 -3.08 -0.13 0.00 -0.03 0.00 0.00 54.58 51.33 2hj6 n ASN 199 Cb 0.27 -0.59 0.10 0.00 -0.61 0.00 0.00 39.78 38.95 2hj6 n ASN 199 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2hj6 n PRO 200 N 0.13 -1.70 -1.13 3.52 -0.04 -1.22 -4.74 135.00 129.82 2hj6 n PRO 200 Ca 0.24 -0.77 -0.33 0.00 -0.04 0.00 0.00 63.50 62.59 2hj6 n PRO 200 Cb 0.65 -0.68 0.12 0.00 -0.04 0.00 0.00 33.50 33.55 2hj6 n PRO 200 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2hj6 s GLU 201 N -4.10 1.67 0.26 0.54 2.02 -1.26 -4.87 118.70 112.96 2hj6 s GLU 201 Ca 0.31 1.70 -0.31 0.00 0.02 0.00 0.00 54.97 56.69 2hj6 s GLU 201 Cb -0.03 -1.79 -0.12 0.00 0.10 0.00 0.00 34.13 32.30 2hj6 s GLU 201 CO 0.23 -2.17 1.59 1.17 0.02 0.00 0.00 175.26 176.10 2hj6 n LYS 202 N -3.33 2.56 0.00 1.61 4.81 -1.26 -1.87 118.16 120.68 2hj6 n LYS 202 Ca 0.13 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.48 2hj6 n LYS 202 Cb 0.51 -2.69 0.00 0.00 0.02 0.00 0.00 35.03 32.87 2hj6 n LYS 202 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hj6 n GLY 203 N 2.63 3.14 3.84 3.14 0.00 -1.26 -5.01 105.19 111.66 2hj6 n GLY 203 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2hj6 n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hj6 s LYS 204 N -0.29 3.94 0.40 1.61 1.02 -0.78 -5.04 119.74 120.59 2hj6 s LYS 204 Ca 0.00 0.91 -0.23 0.00 0.02 0.00 0.00 55.97 56.67 2hj6 s LYS 204 Cb 0.00 -2.16 -0.10 0.00 -0.52 0.00 0.00 37.83 35.05 2hj6 s LYS 204 CO 0.00 -0.25 0.98 -1.21 -0.92 0.00 0.00 175.35 173.95 2hj6 s GLU 205 N -4.05 4.27 0.18 1.68 2.02 -1.26 -4.82 118.70 116.73 2hj6 s GLU 205 Ca 0.58 1.29 -0.24 0.00 0.02 0.00 0.00 54.97 56.62 2hj6 s GLU 205 Cb -0.10 -2.43 -0.15 0.00 0.10 0.00 0.00 34.13 31.55 2hj6 s GLU 205 CO 0.31 -0.01 0.44 -1.33 0.02 0.00 0.00 175.26 174.70 2hj6 n MET 206 N -0.21 0.00 -2.28 1.61 2.81 -1.26 -4.80 117.12 112.99 2hj6 n MET 206 Ca 0.05 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.68 2hj6 n MET 206 Cb 0.52 -0.88 0.12 0.00 -0.71 0.00 0.00 33.22 32.27 2hj6 n MET 206 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2hj6 s ARG 207 N -0.88 1.47 0.38 0.03 3.00 -0.84 -5.07 118.95 117.04 2hj6 s ARG 207 Ca 0.56 -0.67 0.08 0.00 0.00 0.00 0.00 55.73 55.70 2hj6 s ARG 207 Cb -0.81 -2.14 -0.06 0.00 0.00 0.00 0.00 34.95 31.95 2hj6 s ARG 207 CO 0.50 -1.71 0.08 0.95 0.00 0.00 0.00 175.30 175.12 2hj6 s THR 208 N -3.41 2.45 0.29 0.02 -4.23 -1.26 -4.82 115.64 104.68 2hj6 s THR 208 Ca 0.67 -1.86 -0.02 0.00 -1.18 0.00 0.00 61.69 59.30 2hj6 s THR 208 Cb -0.06 -2.91 0.27 0.00 1.34 0.00 0.00 72.50 71.13 2hj6 s THR 208 CO 0.47 -0.10 1.94 -0.65 -0.54 0.00 0.00 174.62 175.75 2hj6 h PRO 209 N 1.65 1.12 -1.04 3.99 0.11 -2.00 -0.40 132.00 135.43 2hj6 h PRO 209 Ca -0.43 -0.07 0.28 0.00 0.11 0.00 0.00 66.00 65.90 2hj6 h PRO 209 Cb 1.25 -0.25 -0.06 0.00 0.11 0.00 0.00 31.00 32.05 2hj6 h PRO 209 CO 0.70 0.74 0.71 -0.44 -0.21 0.00 0.00 178.00 179.50 2hj6 h ASP 210 N 1.15 0.20 -0.26 -2.05 5.19 -1.99 0.17 116.42 118.82 2hj6 h ASP 210 Ca 0.34 0.03 -0.18 0.00 -0.62 0.00 0.00 57.03 56.61 2hj6 h ASP 210 Cb -0.04 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.47 2hj6 h ASP 210 CO -0.09 0.05 -0.51 0.45 -3.12 0.00 0.00 179.24 176.01 2hj6 h HIS 211 N 0.18 1.05 -0.56 4.55 3.86 -1.46 -0.58 115.15 122.19 2hj6 h HIS 211 Ca 0.53 -0.36 0.03 0.00 -1.16 0.00 0.00 60.37 59.41 2hj6 h HIS 211 Cb 1.76 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 29.99 2hj6 h HIS 211 CO -0.00 1.18 0.34 0.93 0.86 0.00 0.00 177.93 181.23 2hj6 h GLU 212 N 0.66 0.64 0.17 2.45 5.08 -0.53 0.64 114.58 123.69 2hj6 h GLU 212 Ca 0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2hj6 h GLU 212 Cb 1.11 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2hj6 h GLU 212 CO 0.11 0.43 -0.08 -0.44 -1.00 0.00 0.00 179.01 178.03 2hj6 h ASP 213 N 0.66 -0.19 -1.00 1.42 3.45 -1.11 -2.47 116.42 117.18 2hj6 h ASP 213 Ca 0.23 -0.31 0.20 0.00 0.43 0.00 0.00 57.03 57.58 2hj6 h ASP 213 Cb 0.03 0.05 -0.11 0.00 -0.56 0.00 0.00 39.33 38.74 2hj6 h ASP 213 CO -0.10 0.25 0.61 0.74 -1.57 0.00 0.00 179.24 179.17 2hj6 h THR 214 N -0.67 0.67 0.13 0.35 2.02 -1.07 0.14 112.91 114.47 2hj6 h THR 214 Ca -0.02 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 66.93 2hj6 h THR 214 Cb 0.49 -0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 66.76 2hj6 h THR 214 CO 0.04 0.13 -0.30 0.15 0.37 0.00 0.00 175.52 175.91 2hj6 h PHE 215 N 0.71 -0.81 -0.03 3.16 3.57 -0.65 0.84 116.94 123.73 2hj6 h PHE 215 Ca 0.59 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.95 2hj6 h PHE 215 Cb 0.99 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 2hj6 h PHE 215 CO -0.00 -0.41 -0.69 0.74 -2.23 0.00 0.00 178.31 175.72 2hj6 h PHE 216 N -0.52 0.22 -0.21 0.41 -1.00 -0.66 -1.46 116.94 113.72 2hj6 h PHE 216 Ca 0.03 -0.09 -0.18 0.00 2.81 0.00 0.00 57.97 60.53 2hj6 h PHE 216 Cb 0.55 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 40.07 2hj6 h PHE 216 CO -0.27 0.80 -0.60 0.00 -1.61 0.00 0.00 178.31 176.63 2hj6 h ARG 217 N 0.11 0.70 -0.94 1.51 3.08 -0.72 0.95 114.38 119.06 2hj6 h ARG 217 Ca -0.02 -0.47 0.03 0.00 0.07 0.00 0.00 59.98 59.59 2hj6 h ARG 217 Cb 1.23 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 31.29 2hj6 h ARG 217 CO 0.10 1.09 0.62 -0.44 -1.07 0.00 0.00 179.97 180.27 2hj6 h ASP 218 N 0.52 1.04 0.05 7.04 3.32 -0.63 -0.11 116.42 127.65 2hj6 h ASP 218 Ca -0.00 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 2hj6 h ASP 218 Cb 1.18 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 40.50 2hj6 h ASP 218 CO 0.12 0.73 -0.40 0.25 -1.72 0.00 0.00 179.24 178.22 2hj6 h LEU 219 N 1.22 0.26 -0.50 1.55 5.85 -1.00 -3.41 115.31 119.28 2hj6 h LEU 219 Ca 0.37 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 58.17 2hj6 h LEU 219 Cb -0.05 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.90 2hj6 h LEU 219 CO -0.11 1.15 0.00 1.33 -0.34 0.00 0.00 178.44 180.47 2hj6 n VAL 220 N -4.38 0.00 -0.95 1.05 0.24 0.31 -5.02 118.33 109.57 2hj6 n VAL 220 Ca -0.11 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 2hj6 n VAL 220 Cb 0.62 1.50 0.00 0.00 -1.47 0.00 0.00 33.84 34.50 2hj6 n VAL 220 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2hj6 n GLY 221 N -0.00 0.53 3.31 7.63 0.00 -0.05 -4.98 105.19 111.63 2hj6 n GLY 221 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2hj6 n GLY 221 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2hj6 s TYR 222 N -2.04 -0.25 -0.05 1.61 5.04 -1.24 -4.88 117.35 115.53 2hj6 s TYR 222 Ca 0.00 0.23 0.01 0.00 -2.44 0.00 0.00 57.07 54.87 2hj6 s TYR 222 Cb 0.00 0.20 0.02 0.00 0.35 0.00 0.00 41.96 42.54 2hj6 s TYR 222 CO 0.00 -0.55 -0.03 0.45 -1.34 0.00 0.00 175.55 174.08 2hj6 s SER 223 N -1.93 0.96 0.26 4.32 0.15 -1.26 -3.62 113.70 112.59 2hj6 s SER 223 Ca -0.06 -0.11 0.16 0.00 0.70 0.00 0.00 55.95 56.64 2hj6 s SER 223 Cb -0.01 -0.42 0.06 0.00 -1.71 0.00 0.00 66.02 63.94 2hj6 s SER 223 CO -0.01 -0.08 1.38 -0.29 1.20 0.00 0.00 173.24 175.43 2hj6 h ILE 224 N 6.18 0.74 0.00 6.45 2.10 -1.98 -3.50 117.51 127.50 2hj6 h ILE 224 Ca -0.36 -2.08 0.00 0.00 1.08 0.00 0.00 64.86 63.50 2hj6 h ILE 224 Cb 1.15 2.33 0.00 0.00 -1.09 0.00 0.00 36.82 39.21 2hj6 h ILE 224 CO 0.44 0.42 0.00 0.61 -1.08 0.00 0.00 178.15 178.55 2hj6 n GLY 225 N 1.23 0.25 0.14 8.18 0.00 -1.26 -4.07 105.19 109.67 2hj6 n GLY 225 Ca 0.01 -1.78 0.01 0.00 0.00 0.00 0.00 46.02 44.26 2hj6 n GLY 225 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2hj6 h THR 226 N 0.00 1.13 0.05 2.61 1.35 -1.99 -0.34 112.91 115.72 2hj6 h THR 226 Ca 0.00 -2.25 -0.24 0.00 -0.55 0.00 0.00 66.41 63.37 2hj6 h THR 226 Cb 0.00 2.32 0.02 0.00 -1.73 0.00 0.00 68.15 68.77 2hj6 h THR 226 CO 0.00 0.57 -0.98 0.25 -0.25 0.00 0.00 175.52 175.11 2hj6 h LEU 227 N 0.00 0.77 -0.49 3.87 5.85 -2.01 -3.33 115.31 119.97 2hj6 h LEU 227 Ca -0.01 -0.79 0.09 0.00 0.84 0.00 0.00 57.88 58.02 2hj6 h LEU 227 Cb 1.28 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.99 2hj6 h LEU 227 CO 0.08 1.47 0.01 1.23 -0.34 0.00 0.00 178.44 180.88 2hj6 h GLY 228 N 0.16 0.50 2.00 3.75 0.00 -1.52 -1.64 103.07 106.32 2hj6 h GLY 228 Ca -0.14 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 2hj6 h GLY 228 CO 0.19 -0.13 -0.23 1.19 0.00 0.00 0.00 176.54 177.56 2hj6 h ILE 229 N 0.12 0.70 0.22 2.60 6.09 -1.20 0.69 117.51 126.73 2hj6 h ILE 229 Ca 0.24 -1.00 -0.33 0.00 -1.37 0.00 0.00 64.86 62.40 2hj6 h ILE 229 Cb 0.36 1.64 0.03 0.00 0.47 0.00 0.00 36.82 39.32 2hj6 h ILE 229 CO -0.40 0.23 -1.51 0.45 -3.07 0.00 0.00 178.15 173.85 2hj6 h HIS 230 N 0.00 0.86 -0.62 2.19 3.86 -1.47 -0.34 115.15 119.63 2hj6 h HIS 230 Ca -0.00 -0.62 0.10 0.00 -1.16 0.00 0.00 60.37 58.68 2hj6 h HIS 230 Cb 0.62 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.98 2hj6 h HIS 230 CO 0.00 1.58 0.23 0.00 0.86 0.00 0.00 177.93 180.60 2hj6 h ARG 231 N 0.07 0.40 0.24 2.45 3.08 -0.83 -2.46 114.38 117.33 2hj6 h ARG 231 Ca -0.28 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 2hj6 h ARG 231 Cb 2.09 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 32.05 2hj6 h ARG 231 CO 0.23 0.26 -0.14 1.25 -1.07 0.00 0.00 179.97 180.51 2hj6 h LEU 232 N 0.41 -0.33 -1.05 3.04 5.85 0.61 -0.61 115.31 123.23 2hj6 h LEU 232 Ca 0.31 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 2hj6 h LEU 232 Cb 0.39 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 2hj6 h LEU 232 CO -0.31 -0.22 0.51 1.23 -0.34 0.00 0.00 178.44 179.30 2hj6 h GLY 233 N -0.36 1.24 0.92 3.75 0.00 -1.02 0.53 103.07 108.13 2hj6 h GLY 233 Ca -0.03 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 2hj6 h GLY 233 CO 0.03 0.51 -0.05 -2.00 0.00 0.00 0.00 176.54 175.03 2hj6 h LEU 234 N 1.18 0.63 -0.17 3.11 5.85 -1.33 -1.59 115.31 122.99 2hj6 h LEU 234 Ca 0.31 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 2hj6 h LEU 234 Cb -0.04 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2hj6 h LEU 234 CO -0.06 0.83 0.00 0.25 -0.34 0.00 0.00 178.44 179.12 2hj6 h LEU 235 N 0.42 0.29 -0.23 2.25 7.12 -0.22 -0.97 115.31 123.97 2hj6 h LEU 235 Ca 0.09 -0.30 0.01 0.00 0.13 0.00 0.00 57.88 57.81 2hj6 h LEU 235 Cb 0.54 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.57 2hj6 h LEU 235 CO 0.03 0.52 0.13 -0.07 -0.13 0.00 0.00 178.44 178.91 2hj6 h LEU 236 N 0.05 0.20 -0.07 2.25 3.38 0.10 0.18 115.31 121.39 2hj6 h LEU 236 Ca 0.05 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.85 2hj6 h LEU 236 Cb 0.37 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.09 2hj6 h LEU 236 CO 0.01 0.15 -0.65 0.77 0.09 0.00 0.00 178.44 178.81 2hj6 h SER 237 N 0.26 0.69 -0.27 -0.43 4.64 -1.28 0.37 113.55 117.52 2hj6 h SER 237 Ca 0.09 -0.69 -0.07 0.00 -0.47 0.00 0.00 61.79 60.65 2hj6 h SER 237 Cb 0.01 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 2hj6 h SER 237 CO -0.05 1.27 -0.07 -0.07 -0.87 0.00 0.00 176.83 177.04 2hj6 h LEU 238 N 0.16 0.63 -0.05 5.97 3.38 -1.21 -2.64 115.31 121.55 2hj6 h LEU 238 Ca -0.06 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 2hj6 h LEU 238 Cb 1.31 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 2hj6 h LEU 238 CO 0.13 0.75 0.03 0.28 0.09 0.00 0.00 178.44 179.72 2hj6 h SER 239 N 0.61 0.06 -0.84 -0.43 0.02 -0.69 -1.42 113.55 110.86 2hj6 h SER 239 Ca 0.11 -0.06 0.21 0.00 -0.84 0.00 0.00 61.79 61.22 2hj6 h SER 239 Cb 0.49 -0.02 -0.14 0.00 0.14 0.00 0.00 62.40 62.87 2hj6 h SER 239 CO 0.03 0.10 0.16 0.00 -1.14 0.00 0.00 176.83 175.97 2hj6 h ALA 240 N 0.96 1.11 0.10 3.77 0.00 -0.04 -1.95 119.26 123.22 2hj6 h ALA 240 Ca 0.02 0.23 -0.27 0.00 0.00 0.00 0.00 54.91 54.89 2hj6 h ALA 240 Cb 0.05 0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2hj6 h ALA 240 CO -0.00 -0.45 -1.18 0.28 0.00 0.00 0.00 179.25 177.90 2hj6 h VAL 241 N 0.17 1.41 -0.14 0.00 2.07 -1.21 -1.81 116.25 116.75 2hj6 h VAL 241 Ca 0.51 -2.74 -0.00 0.00 0.82 0.00 0.00 66.70 65.29 2hj6 h VAL 241 Cb 0.98 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 33.49 2hj6 h VAL 241 CO -0.66 0.81 0.08 0.15 0.02 0.00 0.00 177.57 177.97 2hj6 h PHE 242 N 0.16 0.18 0.00 1.57 3.57 -0.75 -0.01 116.94 121.67 2hj6 h PHE 242 Ca -0.14 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.33 2hj6 h PHE 242 Cb 1.86 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 40.54 2hj6 h PHE 242 CO 0.08 0.16 -0.13 0.74 -2.23 0.00 0.00 178.31 176.93 2hj6 h PHE 243 N 0.15 0.00 -0.25 0.41 0.04 -1.40 -1.06 116.94 114.84 2hj6 h PHE 243 Ca 0.05 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 2hj6 h PHE 243 Cb 0.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 2hj6 h PHE 243 CO -0.05 0.13 0.07 0.77 -0.60 0.00 0.00 178.31 178.63 2hj6 h SER 244 N 0.00 0.37 -0.65 2.17 0.02 -0.34 0.76 113.55 115.88 2hj6 h SER 244 Ca -0.00 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.71 2hj6 h SER 244 Cb 0.26 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 2hj6 h SER 244 CO 0.02 0.48 0.31 0.00 -1.14 0.00 0.00 176.83 176.50 2hj6 h ALA 245 N 0.90 1.28 -0.17 3.77 0.00 -0.50 -2.68 119.26 121.87 2hj6 h ALA 245 Ca 0.08 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2hj6 h ALA 245 Cb 0.25 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2hj6 h ALA 245 CO -0.00 0.55 -0.42 1.25 0.00 0.00 0.00 179.25 180.63 2hj6 h LEU 246 N 0.96 0.66 -1.79 0.00 5.85 -0.97 -0.89 115.31 119.13 2hj6 h LEU 246 Ca 0.23 -0.58 -0.03 0.00 0.84 0.00 0.00 57.88 58.35 2hj6 h LEU 246 Cb 0.11 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 2hj6 h LEU 246 CO -0.03 1.11 -0.15 0.00 -0.34 0.00 0.00 178.44 179.04 2hj6 h MET 248 N 0.00 0.02 -0.14 0.00 2.86 -1.38 -3.26 114.93 113.02 2hj6 h MET 248 Ca -0.00 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 2hj6 h MET 248 Cb 0.39 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 2hj6 h MET 248 CO 0.02 0.55 -0.33 0.97 1.06 0.00 0.00 176.91 179.19 2hj6 h ILE 249 N 0.00 1.27 0.00 -1.22 6.09 -0.37 -1.97 117.51 121.31 2hj6 h ILE 249 Ca -0.28 -1.32 -0.09 0.00 -1.37 0.00 0.00 64.86 61.80 2hj6 h ILE 249 Cb 2.01 1.53 -0.01 0.00 0.47 0.00 0.00 36.82 40.82 2hj6 h ILE 249 CO 0.08 0.40 -0.43 0.16 -3.07 0.00 0.00 178.15 175.29 2hj6 h ILE 250 N 0.24 0.74 -3.31 2.19 3.07 -1.62 -3.41 117.51 115.40 2hj6 h ILE 250 Ca 0.03 -2.04 -0.57 0.00 1.55 0.00 0.00 64.86 63.83 2hj6 h ILE 250 Cb 0.70 2.36 -0.05 0.00 -0.27 0.00 0.00 36.82 39.56 2hj6 h ILE 250 CO 0.05 0.42 0.39 -0.89 -1.05 0.00 0.00 178.15 177.07 2hj6 s THR 251 N -3.00 4.88 0.00 0.16 2.01 -0.74 -1.32 115.64 117.62 2hj6 s THR 251 Ca 0.04 1.77 0.00 0.00 0.31 0.00 0.00 61.69 63.81 2hj6 s THR 251 Cb 0.07 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.39 2hj6 s THR 251 CO 0.73 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 175.35 2hj6 n GLY 252 N 3.23 1.98 0.00 4.40 0.00 0.26 -4.84 105.19 110.22 2hj6 n GLY 252 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2hj6 n GLY 252 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hj6 n THR 253 N -2.00 0.00 0.09 2.61 -2.24 -1.18 -4.85 114.28 106.72 2hj6 n THR 253 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 2hj6 n THR 253 Cb 0.00 -0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 67.58 2hj6 n THR 253 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 2hj6 h ILE 254 N 0.00 1.23 -3.61 2.28 3.07 -1.55 -3.42 117.51 115.51 2hj6 h ILE 254 Ca 0.00 -2.78 -0.54 0.00 1.55 0.00 0.00 64.86 63.09 2hj6 h ILE 254 Cb 0.00 2.60 -0.32 0.00 -0.27 0.00 0.00 36.82 38.82 2hj6 h ILE 254 CO 0.00 0.70 -0.83 0.86 -1.05 0.00 0.00 178.15 177.83 2hj6 s TRP 255 N -2.83 1.64 0.00 0.16 -0.11 -0.44 -5.01 118.94 112.35 2hj6 s TRP 255 Ca 0.02 -0.56 0.00 0.00 1.22 0.00 0.00 56.10 56.78 2hj6 s TRP 255 Cb 0.09 -1.14 0.00 0.00 -1.50 0.00 0.00 33.47 30.91 2hj6 s TRP 255 CO 0.79 -0.24 0.43 1.97 -4.62 0.00 0.00 176.95 175.28 2hj6 n PHE 256 N 3.50 0.00 -3.13 5.86 1.16 -1.26 0.90 117.46 124.49 2hj6 n PHE 256 Ca -0.20 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.38 2hj6 n PHE 256 Cb 0.52 0.03 0.00 0.00 -1.61 0.00 0.00 39.48 38.42 2hj6 n PHE 256 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 2hj6 n ASP 257 N 0.00 0.39 -4.67 5.98 8.00 -1.26 -4.88 116.55 120.11 2hj6 n ASP 257 Ca 0.00 -0.94 -0.42 0.00 0.71 0.00 0.00 54.79 54.14 2hj6 n ASP 257 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.58 2hj6 n ASP 257 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2hj6 s GLN 258 N -1.71 4.17 0.46 -1.24 -1.52 -1.26 -4.76 119.66 113.79 2hj6 s GLN 258 Ca 0.00 2.42 0.12 0.00 -1.95 0.00 0.00 55.36 55.94 2hj6 s GLN 258 Cb 0.00 -3.87 1.06 0.00 -0.22 0.00 0.00 33.01 29.98 2hj6 s GLN 258 CO 0.00 -0.85 2.10 -1.49 -0.25 0.00 0.00 175.29 174.80 2hj6 h TRP 259 N 9.36 0.27 -0.96 0.91 4.06 -1.72 -1.19 115.95 126.69 2hj6 h TRP 259 Ca -0.44 0.01 0.11 0.00 2.06 0.00 0.00 58.89 60.63 2hj6 h TRP 259 Cb 1.21 -0.09 -0.08 0.00 -1.00 0.00 0.00 29.16 29.20 2hj6 h TRP 259 CO 0.86 0.17 0.61 -0.24 -3.56 0.00 0.00 178.44 176.28 2hj6 h VAL 260 N 0.29 0.93 0.00 1.49 3.04 -1.84 -1.50 116.25 118.67 2hj6 h VAL 260 Ca 0.09 -0.32 -0.04 0.00 -1.01 0.00 0.00 66.70 65.42 2hj6 h VAL 260 Cb 0.00 -0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 29.19 2hj6 h VAL 260 CO -0.02 0.17 -0.17 0.44 -1.01 0.00 0.00 177.57 176.98 2hj6 h ASP 261 N 0.93 0.00 -0.86 3.17 3.32 -1.60 -2.91 116.42 118.47 2hj6 h ASP 261 Ca 0.46 0.00 0.23 0.00 0.02 0.00 0.00 57.03 57.75 2hj6 h ASP 261 Cb 0.48 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 2hj6 h ASP 261 CO -0.23 0.17 0.60 -0.25 -1.72 0.00 0.00 179.24 177.82 2hj6 h TRP 262 N 0.00 0.18 0.00 4.55 7.01 -1.32 -1.28 115.95 125.08 2hj6 h TRP 262 Ca -0.00 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2hj6 h TRP 262 Cb 0.65 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.65 2hj6 h TRP 262 CO 0.00 0.04 0.00 0.91 -2.79 0.00 0.00 178.44 176.60 2hj6 n TRP 263 N -4.36 0.00 0.16 2.65 7.02 -1.10 -2.99 117.44 118.81 2hj6 n TRP 263 Ca 0.18 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.73 2hj6 n TRP 263 Cb 0.85 -0.30 0.57 0.00 -2.42 0.00 0.00 31.31 30.00 2hj6 n TRP 263 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 2hj6 h GLN 264 N 0.00 0.18 -0.75 -0.99 4.20 -1.45 -2.50 115.11 113.80 2hj6 h GLN 264 Ca 0.00 -0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.87 2hj6 h GLN 264 Cb 0.26 -0.04 -0.13 0.00 0.30 0.00 0.00 27.48 27.87 2hj6 h GLN 264 CO 0.00 0.12 0.02 0.11 -0.67 0.00 0.00 178.83 178.41 2hj6 h TRP 265 N 0.19 -0.03 -0.25 2.96 5.08 -1.76 -0.65 115.95 121.48 2hj6 h TRP 265 Ca 0.07 0.05 -0.11 0.00 1.08 0.00 0.00 58.89 59.98 2hj6 h TRP 265 Cb 0.05 0.13 -0.00 0.00 -3.00 0.00 0.00 29.16 26.33 2hj6 h TRP 265 CO -0.00 -0.23 -0.27 2.35 -1.28 0.00 0.00 178.44 179.01 2hj6 h TRP 266 N 0.11 0.75 0.00 0.12 2.91 -1.72 -2.85 115.95 115.28 2hj6 h TRP 266 Ca 0.41 -0.23 0.00 0.00 1.13 0.00 0.00 58.89 60.20 2hj6 h TRP 266 Cb 0.72 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 29.21 2hj6 h TRP 266 CO -0.41 0.95 0.00 0.28 -1.03 0.00 0.00 178.44 178.23 2hj6 h VAL 267 N 0.34 0.00 -0.00 2.65 2.07 -0.92 -3.12 116.25 117.26 2hj6 h VAL 267 Ca 0.04 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2hj6 h VAL 267 Cb 0.83 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2hj6 h VAL 267 CO 0.07 0.00 -0.03 0.29 0.02 0.00 0.00 177.57 177.92 2hj6 n LYS 268 N -2.77 0.52 -1.40 1.57 5.02 -0.57 -4.24 118.16 116.30 2hj6 n LYS 268 Ca -0.01 -0.66 -0.47 0.00 -2.02 0.00 0.00 58.31 55.16 2hj6 n LYS 268 Cb 0.16 -1.03 -0.02 0.00 -0.02 0.00 0.00 35.03 34.11 2hj6 n LYS 268 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2hj6 n LEU 269 N 0.06 -1.27 0.20 -0.35 4.77 -1.08 -4.45 117.00 114.87 2hj6 n LEU 269 Ca 0.02 1.09 0.08 0.00 -0.03 0.00 0.00 56.01 57.17 2hj6 n LEU 269 Cb 0.11 -0.96 0.30 0.00 -2.33 0.00 0.00 43.42 40.54 2hj6 n LEU 269 CO 0.04 -3.06 0.71 1.55 -1.33 0.00 0.00 177.39 175.30 2hj6 h PRO 270 N 0.96 0.00 0.43 3.23 0.14 -1.94 0.20 132.00 135.03 2hj6 h PRO 270 Ca -0.30 0.00 -0.02 0.00 0.14 0.00 0.00 66.00 65.82 2hj6 h PRO 270 Cb 1.43 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.58 2hj6 h PRO 270 CO 0.56 0.28 -0.20 0.11 0.14 0.00 0.00 178.00 178.88 2hj6 h TRP 271 N 0.00 -0.53 0.00 1.56 0.09 -1.99 -3.27 115.95 111.80 2hj6 h TRP 271 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.89 58.96 2hj6 h TRP 271 Cb 0.96 0.18 0.00 0.00 0.08 0.00 0.00 29.16 30.38 2hj6 h TRP 271 CO 0.00 -0.22 -0.56 -2.67 0.09 0.00 0.00 178.44 175.07 2hj6 n TRP 272 N -5.24 0.35 -0.23 0.12 2.14 -1.21 -4.57 117.44 108.80 2hj6 n TRP 272 Ca -0.11 0.10 0.18 0.00 2.07 0.00 0.00 57.50 59.74 2hj6 n TRP 272 Cb 0.29 -0.52 0.33 0.00 -0.81 0.00 0.00 31.31 30.60 2hj6 n TRP 272 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2hj6 n ALA 273 N -1.71 0.58 -0.42 -1.67 0.00 0.71 -1.72 120.51 116.27 2hj6 n ALA 273 Ca 0.04 0.72 0.04 0.00 0.00 0.00 0.00 53.44 54.24 2hj6 n ALA 273 Cb 0.40 -0.64 0.05 0.00 0.00 0.00 0.00 19.45 19.26 2hj6 n ALA 273 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2hj6 n ASN 274 N -4.71 2.13 -4.73 0.00 4.13 -1.26 -4.88 115.26 105.95 2hj6 n ASN 274 Ca 0.23 -2.42 -0.42 0.00 1.68 0.00 0.00 54.58 53.65 2hj6 n ASN 274 Cb 0.76 -0.17 -0.03 0.00 -1.54 0.00 0.00 39.78 38.80 2hj6 n ASN 274 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2hj6 s ILE 275 N -1.73 3.74 0.76 2.41 1.01 -0.70 -5.02 121.20 121.67 2hj6 s ILE 275 Ca 0.12 1.35 -0.13 0.00 0.00 0.00 0.00 60.65 62.00 2hj6 s ILE 275 Cb 0.11 -3.86 0.17 0.00 0.01 0.00 0.00 42.46 38.89 2hj6 s ILE 275 CO 0.01 0.16 1.03 -0.81 0.00 0.00 0.00 174.94 175.33 2hj6 n PRO 276 N 3.22 -0.98 -0.15 2.79 -0.05 -1.26 -4.66 135.00 133.91 2hj6 n PRO 276 Ca 0.07 -1.63 0.02 0.00 -0.05 0.00 0.00 63.50 61.91 2hj6 n PRO 276 Cb 0.45 -1.05 -0.01 0.00 -0.05 0.00 0.00 33.50 32.84 2hj6 n PRO 276 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2hj6 n GLY 277 N -1.77 -2.02 5.47 0.55 0.00 -1.25 -4.94 105.19 101.22 2hj6 n GLY 277 Ca 0.13 -1.40 0.03 0.00 0.00 0.00 0.00 46.02 44.78 2hj6 n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hj6 n GLY 278 N -0.82 -1.55 0.18 -0.02 0.00 -1.26 -3.28 105.19 98.43 2hj6 n GLY 278 Ca 0.00 -1.20 -0.16 0.00 0.00 0.00 0.00 46.02 44.66 2hj6 n GLY 278 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2hj6 h ILE 279 N -0.21 1.35 -0.84 -0.61 1.08 -1.99 -3.35 117.51 112.95 2hj6 h ILE 279 Ca 0.00 -1.83 -0.47 0.00 -0.39 0.00 0.00 64.86 62.17 2hj6 h ILE 279 Cb 0.20 2.15 -0.26 0.00 -3.07 0.00 0.00 36.82 35.84 2hj6 h ILE 279 CO 0.00 0.56 0.46 0.59 -0.69 0.00 0.00 178.15 179.07 2hj6 n ASN 280 N -4.20 4.16 0.00 1.72 3.02 -1.26 -5.26 115.26 113.44 2hj6 n ASN 280 Ca -0.08 -3.69 0.00 0.00 -0.03 0.00 0.00 54.58 50.78 2hj6 n ASN 280 Cb 0.61 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 2hj6 n ASN 280 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25