#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgx s LEU 2 N 0.00 2.32 0.33 0.00 1.43 -1.26 -4.57 118.68 116.93 1jgx s LEU 2 Ca 0.00 -0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 52.41 1jgx s LEU 2 Cb 0.00 -1.45 -0.09 0.00 0.03 0.00 0.00 46.19 44.67 1jgx s LEU 2 CO 0.00 0.26 1.15 -0.76 0.23 0.00 0.00 176.35 177.23 1jgx s LEU 3 N -0.22 4.40 0.47 1.79 1.43 -1.26 -4.90 118.68 120.39 1jgx s LEU 3 Ca -0.01 2.35 0.38 0.00 -1.03 0.00 0.00 54.13 55.82 1jgx s LEU 3 Cb -0.13 -3.78 1.53 0.00 0.03 0.00 0.00 46.19 43.84 1jgx s LEU 3 CO 0.03 -0.38 1.51 -1.54 0.23 0.00 0.00 176.35 176.20 1jgx n SER 4 N 0.73 0.13 -1.05 2.29 3.41 -1.26 -0.18 113.62 117.69 1jgx n SER 4 Ca 0.01 1.20 0.08 0.00 -0.26 0.00 0.00 58.87 59.90 1jgx n SER 4 Cb 0.45 -0.59 0.27 0.00 -0.26 0.00 0.00 64.21 64.08 1jgx n SER 4 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1jgx n PHE 5 N -4.35 1.08 0.03 7.33 1.16 -1.26 -4.73 117.46 116.72 1jgx n PHE 5 Ca 0.41 -0.78 -0.18 0.00 -1.87 0.00 0.00 57.45 55.02 1jgx n PHE 5 Cb 1.68 -0.30 -0.14 0.00 -1.61 0.00 0.00 39.48 39.11 1jgx n PHE 5 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 1jgx h GLU 6 N 2.31 0.24 -0.92 3.97 4.81 -0.93 -3.40 114.58 120.66 1jgx h GLU 6 Ca 0.00 -0.42 0.21 0.00 -0.13 0.00 0.00 59.36 59.02 1jgx h GLU 6 Cb 1.42 0.16 -0.12 0.00 0.63 0.00 0.00 28.75 30.84 1jgx h GLU 6 CO 0.23 1.09 0.47 -0.09 -0.73 0.00 0.00 179.01 179.98 1jgx h ARG 7 N 0.07 0.49 0.00 1.92 2.43 -1.85 -0.03 114.38 117.41 1jgx h ARG 7 Ca -0.32 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1jgx h ARG 7 Cb 2.04 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.48 1jgx h ARG 7 CO 0.13 0.33 0.00 1.57 -1.51 0.00 0.00 179.97 180.49 1jgx h LYS 8 N 0.51 0.00 0.00 0.20 2.10 -1.96 -1.89 116.57 115.53 1jgx h LYS 8 Ca 0.57 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.22 1jgx h LYS 8 Cb 1.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 1jgx h LYS 8 CO -0.48 0.00 -0.98 0.66 -2.00 0.00 0.00 179.45 176.65 1jgx n TYR 9 N -2.97 0.54 -1.24 0.07 4.01 -0.03 -4.53 117.16 113.01 1jgx n TYR 9 Ca -0.03 0.16 -0.26 0.00 -0.16 0.00 0.00 57.90 57.61 1jgx n TYR 9 Cb 0.07 -0.66 -0.09 0.00 -0.31 0.00 0.00 39.34 38.35 1jgx n TYR 9 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1jgx n ARG 10 N -2.24 2.89 -2.80 -0.72 1.74 -0.71 -4.91 116.66 109.91 1jgx n ARG 10 Ca 0.01 -1.78 -0.27 0.00 -0.77 0.00 0.00 57.85 55.05 1jgx n ARG 10 Cb 0.48 -2.37 -0.00 0.00 -1.02 0.00 0.00 32.46 29.55 1jgx n ARG 10 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1jgx s VAL 11 N 0.97 4.95 0.65 1.55 -7.23 -1.26 -5.07 120.40 114.97 1jgx s VAL 11 Ca 0.66 0.07 -0.15 0.00 -1.81 0.00 0.00 61.98 60.75 1jgx s VAL 11 Cb 0.26 -3.86 -0.00 0.00 0.56 0.00 0.00 36.38 33.34 1jgx s VAL 11 CO -0.05 -0.78 1.10 -2.84 -0.31 0.00 0.00 175.10 172.22 1jgx s PRO 12 N -4.63 2.85 0.00 4.82 0.02 -1.26 -4.97 135.00 131.82 1jgx s PRO 12 Ca 0.46 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.84 1jgx s PRO 12 Cb -0.10 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.46 1jgx s PRO 12 CO 0.43 -1.21 0.00 0.41 -0.33 0.00 0.00 177.00 176.30 1jgx n GLY 13 N -0.60 1.89 0.00 0.52 0.00 -1.26 -5.03 105.19 100.71 1jgx n GLY 13 Ca 0.10 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1jgx n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jgx n GLY 14 N 1.29 2.13 3.74 -0.02 0.00 -1.26 -4.52 105.19 106.55 1jgx n GLY 14 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1jgx n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jgx s THR 15 N -2.57 2.10 -0.09 2.61 -4.23 -1.26 -4.69 115.64 107.51 1jgx s THR 15 Ca 0.00 0.07 0.05 0.00 -1.18 0.00 0.00 61.69 60.64 1jgx s THR 15 Cb 0.00 -3.03 -0.24 0.00 1.34 0.00 0.00 72.50 70.57 1jgx s THR 15 CO 0.00 -0.01 0.46 0.18 -0.54 0.00 0.00 174.62 174.72 1jgx n LEU 16 N -1.31 1.55 -4.02 4.79 4.77 -1.26 -4.91 117.00 116.61 1jgx n LEU 16 Ca 0.12 0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 56.23 1jgx n LEU 16 Cb 0.46 -0.33 -0.13 0.00 -2.33 0.00 0.00 43.42 41.10 1jgx n LEU 16 CO 0.51 0.59 -0.41 -0.69 -1.33 0.00 0.00 177.39 176.06 1jgx s VAL 17 N -2.57 0.53 -0.72 4.08 1.01 -1.26 -4.89 120.40 116.58 1jgx s VAL 17 Ca -0.13 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1jgx s VAL 17 Cb 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.93 1jgx s VAL 17 CO 0.79 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.39 1jgx n GLY 18 N 2.20 0.09 7.00 4.51 0.00 -1.26 -4.53 105.19 113.20 1jgx n GLY 18 Ca -0.18 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1jgx n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jgx n GLY 19 N -1.06 2.75 1.17 -0.02 0.00 -1.26 -1.13 105.19 105.63 1jgx n GLY 19 Ca -0.10 0.23 0.08 0.00 0.00 0.00 0.00 46.02 46.23 1jgx n GLY 19 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jgx n ASN 20 N 3.56 4.34 -0.01 1.61 6.94 -1.26 -4.58 115.26 125.86 1jgx n ASN 20 Ca 0.00 -3.02 -0.10 0.00 -0.02 0.00 0.00 54.58 51.44 1jgx n ASN 20 Cb 0.00 -0.59 -0.04 0.00 -2.36 0.00 0.00 39.78 36.79 1jgx n ASN 20 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1jgx h LEU 21 N 2.34 -0.15 -2.96 -4.53 7.12 -1.47 -3.06 115.31 112.60 1jgx h LEU 21 Ca 0.01 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.06 1jgx h LEU 21 Cb 1.61 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.83 1jgx h LEU 21 CO 0.31 -0.06 0.00 0.49 -0.13 0.00 0.00 178.44 179.05 1jgx n PHE 22 N -5.17 0.64 -2.32 1.25 3.72 -1.26 -4.90 117.46 109.41 1jgx n PHE 22 Ca -0.04 -0.57 -0.35 0.00 -0.05 0.00 0.00 57.45 56.44 1jgx n PHE 22 Cb 0.10 -0.09 -0.04 0.00 -0.94 0.00 0.00 39.48 38.52 1jgx n PHE 22 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1jgx s ASP 23 N -1.16 5.90 0.04 4.37 2.15 -1.16 -0.89 116.67 125.93 1jgx s ASP 23 Ca 0.30 -1.46 -0.28 0.00 0.43 0.00 0.00 52.55 51.54 1jgx s ASP 23 Cb 0.18 -2.57 0.10 0.00 -0.30 0.00 0.00 42.92 40.33 1jgx s ASP 23 CO 0.16 -2.10 1.18 0.72 -0.17 0.00 0.00 175.17 174.96 1jgx s PHE 24 N 7.44 -0.07 0.32 -5.34 -0.12 -1.26 -5.01 117.98 113.95 1jgx s PHE 24 Ca 0.59 -0.10 0.09 0.00 -0.05 0.00 0.00 56.93 57.45 1jgx s PHE 24 Cb -0.01 0.58 -0.05 0.00 -0.63 0.00 0.00 43.02 42.91 1jgx s PHE 24 CO 0.00 -0.47 0.07 -1.58 -0.05 0.00 0.00 175.22 173.20 1jgx s TRP 25 N -2.72 2.65 -0.32 3.49 0.51 -1.26 -2.12 118.94 119.17 1jgx s TRP 25 Ca 0.14 -0.36 -0.00 0.00 -2.12 0.00 0.00 56.10 53.75 1jgx s TRP 25 Cb 0.03 -1.49 0.10 0.00 -0.81 0.00 0.00 33.47 31.30 1jgx s TRP 25 CO -0.02 0.45 0.11 0.08 -0.51 0.00 0.00 176.95 177.06 1jgx s VAL 26 N -2.43 0.99 0.00 4.03 1.01 -0.20 -4.97 120.40 118.83 1jgx s VAL 26 Ca 0.35 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.78 1jgx s VAL 26 Cb -0.03 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1jgx s VAL 26 CO 0.21 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.22 1jgx n GLY 27 N 4.69 3.25 0.06 4.51 0.00 -1.26 -1.76 105.19 114.68 1jgx n GLY 27 Ca -0.01 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1jgx n GLY 27 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jgx n PRO 28 N 13.30 0.44 -2.24 1.61 -0.04 -1.26 -4.93 135.00 141.88 1jgx n PRO 28 Ca 0.00 0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.06 1jgx n PRO 28 Cb 0.00 -1.67 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 1jgx n PRO 28 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1jgx s PHE 29 N -3.29 3.20 0.35 0.54 0.08 -0.72 -5.02 117.98 113.11 1jgx s PHE 29 Ca 0.01 1.00 -0.20 0.00 0.12 0.00 0.00 56.93 57.85 1jgx s PHE 29 Cb 0.13 -3.62 -0.10 0.00 -0.57 0.00 0.00 43.02 38.86 1jgx s PHE 29 CO 0.80 -2.16 0.86 -0.47 -0.10 0.00 0.00 175.22 174.16 1jgx s TYR 30 N 1.38 3.46 0.00 0.36 5.04 -1.26 -1.03 117.35 125.29 1jgx s TYR 30 Ca 0.63 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.78 1jgx s TYR 30 Cb -0.34 -2.76 0.00 0.00 0.35 0.00 0.00 41.96 39.21 1jgx s TYR 30 CO 0.29 0.07 0.00 0.28 -1.34 0.00 0.00 175.55 174.86 1jgx n VAL 31 N -0.11 0.00 -0.30 3.14 0.31 -0.90 -4.89 118.33 115.57 1jgx n VAL 31 Ca 0.04 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.41 1jgx n VAL 31 Cb 0.52 -0.38 -0.01 0.00 -0.91 0.00 0.00 33.84 33.06 1jgx n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jgx n GLY 32 N 3.60 -1.84 0.35 2.92 0.00 -0.06 -2.04 105.19 108.12 1jgx n GLY 32 Ca 0.00 -1.43 0.02 0.00 0.00 0.00 0.00 46.02 44.61 1jgx n GLY 32 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jgx h PHE 33 N -0.29 1.12 0.00 1.61 3.57 -1.81 -1.62 116.94 119.52 1jgx h PHE 33 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1jgx h PHE 33 Cb 0.28 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1jgx h PHE 33 CO -0.26 0.56 0.00 0.74 -2.23 0.00 0.00 178.31 177.12 1jgx h PHE 34 N 1.09 0.00 -0.05 0.41 0.04 -1.91 -1.50 116.94 115.03 1jgx h PHE 34 Ca 0.42 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.18 1jgx h PHE 34 Cb 0.20 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.35 1jgx h PHE 34 CO -0.01 0.00 -0.01 0.78 -0.60 0.00 0.00 178.31 178.46 1jgx h GLY 35 N 3.63 0.10 0.94 -1.45 0.00 -0.69 -1.74 103.07 103.85 1jgx h GLY 35 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1jgx h GLY 35 CO 0.00 0.08 0.13 -2.08 0.00 0.00 0.00 176.54 174.67 1jgx h VAL 36 N -0.27 1.13 -0.69 4.60 2.07 -1.37 -2.09 116.25 119.64 1jgx h VAL 36 Ca 0.01 -0.37 0.14 0.00 0.82 0.00 0.00 66.70 67.29 1jgx h VAL 36 Cb 0.41 0.91 -0.10 0.00 -1.52 0.00 0.00 31.29 30.99 1jgx h VAL 36 CO 0.00 0.13 0.19 0.00 0.02 0.00 0.00 177.57 177.92 1jgx h ALA 37 N 1.00 0.89 -0.13 1.67 0.00 -1.19 -1.44 119.26 120.06 1jgx h ALA 37 Ca 0.09 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1jgx h ALA 37 Cb 0.09 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1jgx h ALA 37 CO -0.01 -0.29 -0.42 1.79 0.00 0.00 0.00 179.25 180.32 1jgx h THR 38 N 0.32 1.36 -0.82 0.00 1.35 -1.12 -2.81 112.91 111.18 1jgx h THR 38 Ca 0.38 -1.71 0.18 0.00 -0.55 0.00 0.00 66.41 64.71 1jgx h THR 38 Cb 0.59 2.08 -0.11 0.00 -1.73 0.00 0.00 68.15 68.98 1jgx h THR 38 CO -0.44 0.52 0.31 0.15 -0.25 0.00 0.00 175.52 175.81 1jgx h PHE 39 N 0.13 0.51 0.10 4.73 3.57 -0.72 0.23 116.94 125.49 1jgx h PHE 39 Ca -0.01 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1jgx h PHE 39 Cb 1.04 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 1jgx h PHE 39 CO 0.11 -0.03 -0.07 0.35 -2.23 0.00 0.00 178.31 176.44 1jgx h PHE 40 N 0.38 -0.18 -1.06 0.41 3.57 -1.22 0.23 116.94 119.07 1jgx h PHE 40 Ca 0.49 -0.00 0.28 0.00 3.53 0.00 0.00 57.97 62.26 1jgx h PHE 40 Cb 0.85 0.06 -0.10 0.00 2.79 0.00 0.00 35.95 39.55 1jgx h PHE 40 CO -0.18 -0.10 0.67 0.74 -2.23 0.00 0.00 178.31 177.21 1jgx h PHE 41 N -0.15 0.72 0.01 0.41 0.04 -1.18 0.18 116.94 116.97 1jgx h PHE 41 Ca -0.01 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 1jgx h PHE 41 Cb 0.12 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.08 1jgx h PHE 41 CO 0.04 0.03 -0.22 0.00 -0.60 0.00 0.00 178.31 177.56 1jgx h ALA 42 N 1.65 0.01 0.02 2.45 0.00 -0.87 -0.74 119.26 121.78 1jgx h ALA 42 Ca 0.63 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1jgx h ALA 42 Cb 1.56 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1jgx h ALA 42 CO -0.35 0.07 -0.19 0.00 0.00 0.00 0.00 179.25 178.78 1jgx h ALA 43 N 0.18 -0.25 -0.55 0.00 0.00 0.16 0.19 119.26 118.99 1jgx h ALA 43 Ca -0.03 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1jgx h ALA 43 Cb 1.03 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 1jgx h ALA 43 CO 0.04 -0.69 0.31 1.25 0.00 0.00 0.00 179.25 180.16 1jgx h LEU 44 N -0.32 0.48 -0.97 0.00 5.85 -1.09 -2.09 115.31 117.17 1jgx h LEU 44 Ca 0.05 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1jgx h LEU 44 Cb 0.38 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1jgx h LEU 44 CO -0.16 0.33 0.19 1.23 -0.34 0.00 0.00 178.44 179.68 1jgx h GLY 45 N 0.60 1.00 0.81 3.75 0.00 -0.63 -1.84 103.07 106.76 1jgx h GLY 45 Ca 0.23 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1jgx h GLY 45 CO -0.13 0.53 0.02 -2.22 0.00 0.00 0.00 176.54 174.74 1jgx h ILE 46 N 0.90 1.21 -0.41 2.60 2.04 -0.62 -2.34 117.51 120.89 1jgx h ILE 46 Ca 0.20 -0.64 0.09 0.00 1.00 0.00 0.00 64.86 65.51 1jgx h ILE 46 Cb 0.27 1.43 -0.09 0.00 -0.74 0.00 0.00 36.82 37.68 1jgx h ILE 46 CO -0.01 0.19 -0.25 0.40 0.00 0.00 0.00 178.15 178.48 1jgx h ILE 47 N -0.04 0.33 -0.60 -0.67 2.04 -1.15 0.30 117.51 117.72 1jgx h ILE 47 Ca 0.03 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.98 1jgx h ILE 47 Cb 0.27 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 1jgx h ILE 47 CO 0.00 0.00 0.40 -0.07 0.00 0.00 0.00 178.15 178.48 1jgx h LEU 48 N -0.17 0.40 -0.19 1.44 3.38 -1.15 0.76 115.31 119.77 1jgx h LEU 48 Ca 0.19 0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.95 1jgx h LEU 48 Cb 0.48 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.16 1jgx h LEU 48 CO -0.51 0.24 -0.78 0.40 0.09 0.00 0.00 178.44 177.87 1jgx h ILE 49 N 0.44 1.29 -0.43 1.22 2.04 -0.48 -0.02 117.51 121.58 1jgx h ILE 49 Ca 0.27 -2.01 -0.00 0.00 1.00 0.00 0.00 64.86 64.12 1jgx h ILE 49 Cb 0.49 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 1jgx h ILE 49 CO -0.08 0.63 0.27 0.00 0.00 0.00 0.00 178.15 178.97 1jgx h ALA 50 N 0.61 0.55 0.30 1.87 0.00 0.09 0.87 119.26 123.55 1jgx h ALA 50 Ca -0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1jgx h ALA 50 Cb 1.41 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1jgx h ALA 50 CO 0.16 0.03 -0.18 2.35 0.00 0.00 0.00 179.25 181.61 1jgx h TRP 51 N 0.58 -0.46 -0.17 0.00 7.01 -0.80 0.13 115.95 122.24 1jgx h TRP 51 Ca 0.16 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.20 1jgx h TRP 51 Cb -0.02 0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 1jgx h TRP 51 CO -0.04 -0.28 0.40 1.03 -2.79 0.00 0.00 178.44 176.76 1jgx h SER 52 N -0.46 0.00 -0.11 2.65 0.87 -0.44 0.15 113.55 116.22 1jgx h SER 52 Ca -0.03 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.44 1jgx h SER 52 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1jgx h SER 52 CO 0.04 0.00 -0.27 0.00 -0.53 0.00 0.00 176.83 176.07 1jgx h ALA 53 N 1.37 0.18 -0.51 6.23 0.00 0.17 -3.03 119.26 123.66 1jgx h ALA 53 Ca 0.08 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1jgx h ALA 53 Cb 0.88 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1jgx h ALA 53 CO -0.00 0.18 0.28 -0.39 0.00 0.00 0.00 179.25 179.32 1jgx h VAL 54 N -0.06 1.18 -0.42 0.00 -1.51 -0.40 -2.42 116.25 112.62 1jgx h VAL 54 Ca -0.00 -0.46 0.08 0.00 -1.23 0.00 0.00 66.70 65.08 1jgx h VAL 54 Cb 0.88 0.54 -0.02 0.00 -2.13 0.00 0.00 31.29 30.56 1jgx h VAL 54 CO 0.06 0.19 0.28 -0.07 -1.23 0.00 0.00 177.57 176.80 1jgx h LEU 55 N 0.68 0.20 -0.20 4.19 3.38 -1.57 -0.92 115.31 121.08 1jgx h LEU 55 Ca 0.18 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 1jgx h LEU 55 Cb 0.06 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1jgx h LEU 55 CO -0.03 0.13 -0.83 -0.61 0.09 0.00 0.00 178.44 177.20 1jgx h GLN 56 N 0.23 0.00 0.00 1.13 4.15 -1.34 -3.48 115.11 115.81 1jgx h GLN 56 Ca 0.19 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.61 1jgx h GLN 56 Cb 0.45 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.14 1jgx h GLN 56 CO -0.04 0.83 0.00 0.41 -1.93 0.00 0.00 178.83 178.10 1jgx n GLY 57 N 1.06 0.84 3.15 2.39 0.00 -0.35 -5.08 105.19 107.19 1jgx n GLY 57 Ca 0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 1jgx n GLY 57 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jgx s THR 58 N -2.00 0.04 -0.39 2.61 -1.32 -1.15 -5.03 115.64 108.41 1jgx s THR 58 Ca 0.00 -0.33 0.06 0.00 -1.21 0.00 0.00 61.69 60.21 1jgx s THR 58 Cb 0.00 -0.43 0.43 0.00 -1.51 0.00 0.00 72.50 70.99 1jgx s THR 58 CO 0.00 -0.18 1.13 0.79 -2.21 0.00 0.00 174.62 174.14 1jgx n TRP 59 N 2.07 3.11 -4.01 9.09 5.03 -1.26 -4.52 117.44 126.95 1jgx n TRP 59 Ca -0.18 -2.83 -0.31 0.00 3.03 0.00 0.00 57.50 57.21 1jgx n TRP 59 Cb 0.57 -0.17 -0.15 0.00 -1.03 0.00 0.00 31.31 30.53 1jgx n TRP 59 CO 0.00 0.00 0.00 1.21 -0.03 0.00 0.00 177.69 178.87 1jgx s ASN 60 N -3.55 4.02 0.42 -0.99 2.47 -1.26 -4.99 114.94 111.06 1jgx s ASN 60 Ca 0.48 -1.21 0.23 0.00 0.42 0.00 0.00 52.86 52.77 1jgx s ASN 60 Cb 0.40 -1.37 1.22 0.00 -1.45 0.00 0.00 41.25 40.06 1jgx s ASN 60 CO -0.11 -0.19 1.72 -0.65 -3.72 0.00 0.00 177.10 174.15 1jgx h PRO 61 N 7.87 0.27 0.00 0.43 0.11 -1.94 1.01 132.00 139.75 1jgx h PRO 61 Ca -0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1jgx h PRO 61 Cb 1.06 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1jgx h PRO 61 CO 0.45 0.18 0.00 1.96 -0.21 0.00 0.00 178.00 180.38 1jgx h GLN 62 N 0.28 0.00 0.00 1.05 1.08 -2.02 -3.33 115.11 112.16 1jgx h GLN 62 Ca 0.67 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.87 1jgx h GLN 62 Cb 1.88 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.31 1jgx h GLN 62 CO -0.33 0.00 -0.73 1.28 -0.95 0.00 0.00 178.83 178.10 1jgx n LEU 63 N -2.43 0.00 -4.52 1.46 4.77 0.30 -4.68 117.00 111.89 1jgx n LEU 63 Ca 0.01 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.59 1jgx n LEU 63 Cb 0.20 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1jgx n LEU 63 CO 0.19 0.00 0.27 -0.38 -1.33 0.00 0.00 177.39 176.15 1jgx n ILE 64 N -1.54 2.35 -3.64 -0.08 5.41 0.15 -4.97 119.36 117.03 1jgx n ILE 64 Ca 0.00 -0.50 -0.06 0.00 1.00 0.00 0.00 62.75 63.19 1jgx n ILE 64 Cb 0.33 -0.83 -0.07 0.00 -0.71 0.00 0.00 39.64 38.36 1jgx n ILE 64 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1jgx s SER 65 N -0.99 -0.40 -0.41 4.38 0.15 -1.26 -4.40 113.70 110.77 1jgx s SER 65 Ca 0.66 0.71 -0.01 0.00 0.70 0.00 0.00 55.95 58.01 1jgx s SER 65 Cb -0.52 0.88 0.11 0.00 -1.71 0.00 0.00 66.02 64.78 1jgx s SER 65 CO 0.55 -0.12 0.19 -0.69 1.20 0.00 0.00 173.24 174.37 1jgx s VAL 66 N 0.59 3.09 0.34 4.45 1.01 -0.42 -4.97 120.40 124.50 1jgx s VAL 66 Ca -0.01 -2.18 -0.25 0.00 0.00 0.00 0.00 61.98 59.54 1jgx s VAL 66 Cb -0.04 -3.14 -0.10 0.00 0.00 0.00 0.00 36.38 33.09 1jgx s VAL 66 CO -0.10 -0.69 0.94 -0.31 0.00 0.00 0.00 175.10 174.94 1jgx s TYR 67 N 1.01 3.64 1.06 5.22 2.02 -1.26 -2.52 117.35 126.51 1jgx s TYR 67 Ca 0.09 1.76 -0.18 0.00 -0.37 0.00 0.00 57.07 58.37 1jgx s TYR 67 Cb -0.22 -2.91 0.25 0.00 -0.40 0.00 0.00 41.96 38.68 1jgx s TYR 67 CO -0.05 0.16 1.19 -0.35 -1.57 0.00 0.00 175.55 174.93 1jgx n PRO 68 N 0.38 -2.07 -0.91 -1.71 -0.04 -1.26 -4.12 135.00 125.26 1jgx n PRO 68 Ca 0.03 -1.86 -0.31 0.00 -0.04 0.00 0.00 63.50 61.32 1jgx n PRO 68 Cb 0.51 -1.44 0.14 0.00 -0.04 0.00 0.00 33.50 32.67 1jgx n PRO 68 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1jgx s PRO 69 N -5.64 1.33 0.46 0.54 0.02 -1.26 -4.38 135.00 126.07 1jgx s PRO 69 Ca 0.71 1.33 -0.10 0.00 0.02 0.00 0.00 61.00 62.96 1jgx s PRO 69 Cb -0.04 -1.78 -0.06 0.00 0.02 0.00 0.00 34.50 32.64 1jgx s PRO 69 CO 0.52 -2.34 0.83 0.00 -0.33 0.00 0.00 177.00 175.68 1jgx s ALA 70 N -2.74 3.29 -0.27 -1.55 0.00 -1.26 -3.23 121.76 116.00 1jgx s ALA 70 Ca 0.65 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.47 1jgx s ALA 70 Cb -0.21 -2.78 0.29 0.00 0.00 0.00 0.00 23.12 20.43 1jgx s ALA 70 CO 0.58 -0.17 0.99 1.28 0.00 0.00 0.00 175.76 178.43 1jgx n LEU 71 N -1.66 0.14 0.05 0.00 4.77 -1.26 -0.43 117.00 118.60 1jgx n LEU 71 Ca 0.03 0.39 -0.13 0.00 -0.03 0.00 0.00 56.01 56.27 1jgx n LEU 71 Cb 0.54 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1jgx n LEU 71 CO 0.49 -0.43 0.25 -0.33 -1.33 0.00 0.00 177.39 176.04 1jgx h GLU 72 N 0.00 0.45 0.00 3.23 4.39 -1.97 -3.07 114.58 117.61 1jgx h GLU 72 Ca 0.00 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1jgx h GLU 72 Cb 0.56 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1jgx h GLU 72 CO 0.00 1.07 0.00 0.66 -1.16 0.00 0.00 179.01 179.58 1jgx n TYR 73 N -3.80 0.00 0.00 4.33 4.01 0.42 -4.96 117.16 117.16 1jgx n TYR 73 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1jgx n TYR 73 Cb 0.78 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 1jgx n TYR 73 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jgx n GLY 74 N 0.84 3.19 0.84 2.72 0.00 -1.16 -1.59 105.19 110.03 1jgx n GLY 74 Ca 0.16 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.41 1jgx n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jgx n LEU 75 N 0.00 2.96 -4.95 0.99 4.77 -1.25 -1.26 117.00 118.26 1jgx n LEU 75 Ca 0.00 -1.55 -0.28 0.00 -0.03 0.00 0.00 56.01 54.15 1jgx n LEU 75 Cb 0.00 -0.20 0.16 0.00 -2.33 0.00 0.00 43.42 41.06 1jgx n LEU 75 CO 0.00 0.66 0.78 -0.83 -1.33 0.00 0.00 177.39 176.67 1jgx s GLY 76 N -1.18 1.78 1.02 -0.72 0.00 -0.62 -4.93 107.32 102.67 1jgx s GLY 76 Ca 0.28 -1.38 -0.15 0.00 0.00 0.00 0.00 44.72 43.48 1jgx s GLY 76 CO 0.23 -0.67 1.14 -0.32 0.00 0.00 0.00 173.10 173.49 1jgx s GLY 77 N -4.85 1.60 0.11 0.20 0.00 -1.26 -4.94 107.32 98.18 1jgx s GLY 77 Ca 0.72 -0.70 -0.05 0.00 0.00 0.00 0.00 44.72 44.70 1jgx s GLY 77 CO 0.50 -0.01 0.13 0.00 0.00 0.00 0.00 173.10 173.72 1jgx s ALA 78 N -3.21 0.35 0.40 3.20 0.00 -1.26 -4.97 121.76 116.26 1jgx s ALA 78 Ca 0.67 -1.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.29 1jgx s ALA 78 Cb -0.13 0.67 -0.08 0.00 0.00 0.00 0.00 23.12 23.58 1jgx s ALA 78 CO 0.55 -0.51 1.19 -2.14 0.00 0.00 0.00 175.76 174.85 1jgx s PRO 79 N -3.96 4.04 0.22 0.00 0.02 -1.26 -3.41 135.00 130.64 1jgx s PRO 79 Ca 0.15 1.88 -0.15 0.00 0.02 0.00 0.00 61.00 62.90 1jgx s PRO 79 Cb 0.06 -2.68 0.25 0.00 0.02 0.00 0.00 34.50 32.15 1jgx s PRO 79 CO -0.04 -0.35 1.43 1.28 -0.33 0.00 0.00 177.00 179.00 1jgx n LEU 80 N 0.07 -0.56 0.10 -5.54 4.77 -1.26 0.10 117.00 114.68 1jgx n LEU 80 Ca 0.04 1.61 0.11 0.00 -0.03 0.00 0.00 56.01 57.74 1jgx n LEU 80 Cb 0.46 -0.39 0.45 0.00 -2.33 0.00 0.00 43.42 41.62 1jgx n LEU 80 CO 0.51 -1.46 0.84 0.00 -1.33 0.00 0.00 177.39 175.95 1jgx n ALA 81 N -3.54 1.74 -2.35 -1.18 0.00 -1.26 -2.17 120.51 111.74 1jgx n ALA 81 Ca 0.10 0.05 -0.24 0.00 0.00 0.00 0.00 53.44 53.35 1jgx n ALA 81 Cb 0.38 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.47 1jgx n ALA 81 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jgx n LYS 82 N -2.09 3.26 0.00 0.00 5.02 0.29 -4.90 118.16 119.75 1jgx n LYS 82 Ca 0.03 -4.27 0.00 0.00 -2.02 0.00 0.00 58.31 52.05 1jgx n LYS 82 Cb 0.24 -2.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 1jgx n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jgx n GLY 83 N -0.53 1.94 0.20 0.72 0.00 -1.08 -4.35 105.19 102.09 1jgx n GLY 83 Ca 0.37 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.29 1jgx n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jgx h GLY 84 N 0.00 0.70 0.58 -0.02 0.00 -1.02 -2.76 103.07 100.55 1jgx h GLY 84 Ca 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 47.33 46.84 1jgx h GLY 84 CO 0.00 0.49 -0.02 1.41 0.00 0.00 0.00 176.54 178.42 1jgx h LEU 85 N 0.46 -0.14 -0.87 3.11 3.38 -1.65 -1.44 115.31 118.15 1jgx h LEU 85 Ca 0.10 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.24 1jgx h LEU 85 Cb 0.50 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 1jgx h LEU 85 CO 0.02 -0.04 0.51 -0.25 0.09 0.00 0.00 178.44 178.77 1jgx h TRP 86 N 0.05 0.91 0.18 1.13 7.01 -1.78 0.23 115.95 123.68 1jgx h TRP 86 Ca 0.12 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 1jgx h TRP 86 Cb 0.16 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 26.95 1jgx h TRP 86 CO -0.21 0.34 -0.09 1.96 -2.79 0.00 0.00 178.44 177.66 1jgx h GLN 87 N 0.81 -0.23 -0.40 2.65 4.20 -1.05 0.19 115.11 121.29 1jgx h GLN 87 Ca 0.43 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.16 1jgx h GLN 87 Cb 0.45 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1jgx h GLN 87 CO -0.27 -0.06 0.23 0.82 -0.67 0.00 0.00 178.83 178.89 1jgx h ILE 88 N -0.36 1.13 -0.71 2.54 2.04 -0.69 -2.43 117.51 119.04 1jgx h ILE 88 Ca -0.02 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.57 1jgx h ILE 88 Cb 0.28 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1jgx h ILE 88 CO 0.04 0.14 0.42 0.40 0.00 0.00 0.00 178.15 179.15 1jgx h ILE 89 N 0.52 1.04 -0.99 -0.67 2.04 -0.48 -1.59 117.51 117.38 1jgx h ILE 89 Ca 0.14 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.78 1jgx h ILE 89 Cb 0.01 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 36.20 1jgx h ILE 89 CO -0.03 0.15 0.64 0.74 0.00 0.00 0.00 178.15 179.65 1jgx h THR 90 N 0.80 1.13 -0.38 -0.27 2.02 -0.61 0.17 112.91 115.77 1jgx h THR 90 Ca 0.30 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1jgx h THR 90 Cb 0.11 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.32 1jgx h THR 90 CO -0.15 0.22 0.13 0.40 0.37 0.00 0.00 175.52 176.49 1jgx h ILE 91 N 1.21 1.21 -0.87 3.11 2.04 -0.89 -0.22 117.51 123.09 1jgx h ILE 91 Ca 0.41 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1jgx h ILE 91 Cb 0.07 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1jgx h ILE 91 CO -0.15 0.23 0.53 0.00 0.00 0.00 0.00 178.15 178.76 1jgx h ALA 93 N 1.39 -0.41 -0.91 0.00 0.00 -0.39 0.79 119.26 119.72 1jgx h ALA 93 Ca 0.31 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.18 1jgx h ALA 93 Cb -0.06 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1jgx h ALA 93 CO -0.06 -0.61 0.59 1.15 0.00 0.00 0.00 179.25 180.31 1jgx h THR 94 N -0.65 0.89 -0.60 0.00 2.02 -0.80 0.73 112.91 114.51 1jgx h THR 94 Ca -0.04 -0.28 -0.09 0.00 0.77 0.00 0.00 66.41 66.77 1jgx h THR 94 Cb 0.46 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1jgx h THR 94 CO 0.07 0.15 0.03 1.23 0.37 0.00 0.00 175.52 177.37 1jgx h GLY 95 N 0.82 1.10 1.46 2.16 0.00 0.06 -1.79 103.07 106.87 1jgx h GLY 95 Ca 0.45 -0.76 -0.16 0.00 0.00 0.00 0.00 47.33 46.86 1jgx h GLY 95 CO -0.21 0.70 -0.53 0.00 0.00 0.00 0.00 176.54 176.50 1jgx h ALA 96 N 1.09 0.70 -0.34 3.60 0.00 0.65 -2.77 119.26 122.19 1jgx h ALA 96 Ca 0.18 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 1jgx h ALA 96 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1jgx h ALA 96 CO 0.02 0.68 -0.30 0.74 0.00 0.00 0.00 179.25 180.40 1jgx h PHE 97 N 0.45 0.95 -0.37 0.00 0.04 -0.69 -2.01 116.94 115.31 1jgx h PHE 97 Ca 0.01 -0.28 -0.10 0.00 2.80 0.00 0.00 57.97 60.40 1jgx h PHE 97 Cb 1.07 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 39.01 1jgx h PHE 97 CO 0.05 1.05 -0.16 0.28 -0.60 0.00 0.00 178.31 178.92 1jgx h VAL 98 N 0.58 1.28 -0.30 -0.55 2.07 -1.39 -2.87 116.25 115.07 1jgx h VAL 98 Ca 0.06 -1.28 0.03 0.00 0.82 0.00 0.00 66.70 66.32 1jgx h VAL 98 Cb 0.87 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1jgx h VAL 98 CO 0.08 0.43 0.13 0.28 0.02 0.00 0.00 177.57 178.50 1jgx h SER 99 N 0.57 0.17 -0.86 0.57 0.02 -1.46 -1.11 113.55 111.45 1jgx h SER 99 Ca 0.09 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1jgx h SER 99 Cb 0.71 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.19 1jgx h SER 99 CO 0.05 0.13 0.55 -0.25 -1.14 0.00 0.00 176.83 176.18 1jgx h TRP 100 N 0.28 1.03 0.95 3.45 2.91 -1.34 0.20 115.95 123.43 1jgx h TRP 100 Ca 0.13 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.13 1jgx h TRP 100 Cb 0.07 -0.34 0.01 0.00 -0.51 0.00 0.00 29.16 28.39 1jgx h TRP 100 CO -0.12 0.58 -0.46 0.00 -1.03 0.00 0.00 178.44 177.42 1jgx h ALA 101 N 1.36 -1.32 -0.68 2.65 0.00 -1.22 -2.28 119.26 117.78 1jgx h ALA 101 Ca 0.35 -0.28 0.19 0.00 0.00 0.00 0.00 54.91 55.17 1jgx h ALA 101 Cb 0.03 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1jgx h ALA 101 CO -0.12 -1.22 0.48 -0.07 0.00 0.00 0.00 179.25 178.32 1jgx h LEU 102 N -1.31 0.03 -0.81 0.00 3.38 -0.86 0.27 115.31 116.01 1jgx h LEU 102 Ca -0.13 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 1jgx h LEU 102 Cb 0.98 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1jgx h LEU 102 CO 0.21 0.02 -0.40 -0.09 0.09 0.00 0.00 178.44 178.27 1jgx h ARG 103 N 0.03 0.40 -0.13 1.13 2.43 -0.33 -2.72 114.38 115.20 1jgx h ARG 103 Ca 0.32 -0.19 -0.11 0.00 -0.81 0.00 0.00 59.98 59.19 1jgx h ARG 103 Cb 1.25 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1jgx h ARG 103 CO -0.01 0.74 -0.42 0.93 -1.51 0.00 0.00 179.97 179.69 1jgx h GLU 104 N 0.33 0.29 -0.97 0.20 5.08 0.10 -2.24 114.58 117.37 1jgx h GLU 104 Ca 0.03 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1jgx h GLU 104 Cb 0.86 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 1jgx h GLU 104 CO 0.07 0.67 0.64 0.28 -1.00 0.00 0.00 179.01 179.67 1jgx h VAL 105 N 0.24 1.25 -0.17 3.13 2.07 -1.12 0.14 116.25 121.79 1jgx h VAL 105 Ca 0.02 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 1jgx h VAL 105 Cb 0.85 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1jgx h VAL 105 CO 0.07 0.24 -0.08 -0.33 0.02 0.00 0.00 177.57 177.49 1jgx h GLU 106 N 1.31 0.36 -0.33 1.57 5.08 -1.29 -1.52 114.58 119.75 1jgx h GLU 106 Ca 0.36 -0.15 0.10 0.00 -1.00 0.00 0.00 59.36 58.66 1jgx h GLU 106 Cb -0.15 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1jgx h GLU 106 CO -0.08 0.66 0.25 0.82 -1.00 0.00 0.00 179.01 179.66 1jgx h ILE 107 N 0.04 0.79 -0.11 3.13 2.04 -0.83 -0.53 117.51 122.04 1jgx h ILE 107 Ca 0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 1jgx h ILE 107 Cb 0.55 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1jgx h ILE 107 CO 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 178.15 178.07 1jgx h ARG 109 N -0.14 0.00 -0.09 0.00 3.08 -0.14 -1.00 114.38 116.10 1jgx h ARG 109 Ca 0.02 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.88 1jgx h ARG 109 Cb 0.61 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 1jgx h ARG 109 CO 0.03 0.22 -0.72 -0.22 -1.07 0.00 0.00 179.97 178.20 1jgx h LYS 110 N 0.00 0.43 -0.01 0.04 3.64 -1.30 -3.09 116.57 116.28 1jgx h LYS 110 Ca -0.00 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1jgx h LYS 110 Cb 0.39 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1jgx h LYS 110 CO 0.03 0.98 -0.07 1.28 -2.27 0.00 0.00 179.45 179.40 1jgx n LEU 111 N -3.85 1.34 -3.27 5.20 4.77 -0.98 -4.95 117.00 115.26 1jgx n LEU 111 Ca -0.04 -0.42 -0.23 0.00 -0.03 0.00 0.00 56.01 55.28 1jgx n LEU 111 Cb 0.70 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.81 1jgx n LEU 111 CO 0.48 0.23 0.09 0.61 -1.33 0.00 0.00 177.39 177.47 1jgx n GLY 112 N 1.22 -0.53 3.74 -0.72 0.00 -0.41 -5.01 105.19 103.48 1jgx n GLY 112 Ca 0.17 0.18 -0.27 0.00 0.00 0.00 0.00 46.02 46.10 1jgx n GLY 112 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jgx n ILE 113 N -4.67 0.00 -1.13 -0.61 -5.35 -1.07 -5.06 119.36 101.47 1jgx n ILE 113 Ca -0.06 -2.19 -0.30 0.00 -0.27 0.00 0.00 62.75 59.93 1jgx n ILE 113 Cb 0.59 0.05 0.24 0.00 -1.74 0.00 0.00 39.64 38.78 1jgx n ILE 113 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1jgx s GLY 114 N -4.15 1.59 -0.16 3.28 0.00 -1.26 -4.76 107.32 101.86 1jgx s GLY 114 Ca 0.26 -0.95 0.16 0.00 0.00 0.00 0.00 44.72 44.20 1jgx s GLY 114 CO 0.17 -0.08 1.37 -1.72 0.00 0.00 0.00 173.10 172.84 1jgx n TYR 115 N -4.70 0.78 -0.27 1.90 4.01 -1.26 -4.72 117.16 112.90 1jgx n TYR 115 Ca 0.13 -0.87 -0.01 0.00 -0.16 0.00 0.00 57.90 57.00 1jgx n TYR 115 Cb 0.59 -0.27 0.11 0.00 -0.31 0.00 0.00 39.34 39.46 1jgx n TYR 115 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1jgx h HIS 116 N 1.56 0.85 0.56 -0.72 3.86 -1.99 -2.72 115.15 116.55 1jgx h HIS 116 Ca 0.00 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1jgx h HIS 116 Cb 1.33 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.52 1jgx h HIS 116 CO 0.41 0.44 -0.38 0.82 0.86 0.00 0.00 177.93 180.07 1jgx h ILE 117 N 0.85 0.00 -0.10 2.45 2.04 -2.00 -1.08 117.51 119.68 1jgx h ILE 117 Ca 0.33 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.22 1jgx h ILE 117 Cb 0.14 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1jgx h ILE 117 CO -0.16 0.00 0.08 1.55 0.00 0.00 0.00 178.15 179.62 1jgx h PRO 118 N -0.89 0.00 -0.33 2.37 0.13 -1.91 -1.25 132.00 130.11 1jgx h PRO 118 Ca -0.07 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.98 1jgx h PRO 118 Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 1jgx h PRO 118 CO 0.05 0.00 -0.09 0.35 -0.23 0.00 0.00 178.00 178.08 1jgx h PHE 119 N 0.00 0.73 -0.57 1.56 3.57 -1.21 -1.37 116.94 119.66 1jgx h PHE 119 Ca 0.05 -0.16 -0.08 0.00 3.53 0.00 0.00 57.97 61.31 1jgx h PHE 119 Cb 0.21 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1jgx h PHE 119 CO 0.00 0.83 0.03 0.00 -2.23 0.00 0.00 178.31 176.94 1jgx h ALA 120 N 0.80 0.99 -0.21 2.41 0.00 -0.07 -2.70 119.26 120.48 1jgx h ALA 120 Ca 0.08 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1jgx h ALA 120 Cb 0.59 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1jgx h ALA 120 CO 0.04 0.62 0.12 0.35 0.00 0.00 0.00 179.25 180.38 1jgx h PHE 121 N 0.88 0.28 -0.28 0.00 3.57 -1.19 -1.36 116.94 118.84 1jgx h PHE 121 Ca 0.17 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.75 1jgx h PHE 121 Cb 0.47 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1jgx h PHE 121 CO 0.03 0.24 0.64 0.00 -2.23 0.00 0.00 178.31 176.99 1jgx h ALA 122 N 1.02 1.95 -0.09 2.41 0.00 -0.91 1.06 119.26 124.70 1jgx h ALA 122 Ca 0.07 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1jgx h ALA 122 Cb 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1jgx h ALA 122 CO -0.01 -0.79 -0.61 0.74 0.00 0.00 0.00 179.25 178.58 1jgx h PHE 123 N 0.00 0.39 -0.06 0.00 -1.00 -1.22 -2.39 116.94 112.65 1jgx h PHE 123 Ca 0.13 -0.15 -0.06 0.00 2.81 0.00 0.00 57.97 60.71 1jgx h PHE 123 Cb 1.42 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.91 1jgx h PHE 123 CO 0.00 0.83 -0.18 0.00 -1.61 0.00 0.00 178.31 177.35 1jgx h ALA 124 N 1.13 0.10 -0.78 2.45 0.00 0.11 -2.71 119.26 119.57 1jgx h ALA 124 Ca -0.01 -0.38 0.16 0.00 0.00 0.00 0.00 54.91 54.69 1jgx h ALA 124 Cb 1.13 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1jgx h ALA 124 CO 0.10 0.05 0.52 0.82 0.00 0.00 0.00 179.25 180.74 1jgx h ILE 125 N -0.29 0.76 -0.19 0.00 2.04 -1.46 0.17 117.51 118.54 1jgx h ILE 125 Ca -0.01 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.60 1jgx h ILE 125 Cb 0.80 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1jgx h ILE 125 CO 0.04 0.07 -0.43 0.25 0.00 0.00 0.00 178.15 178.08 1jgx h LEU 126 N 0.38 0.47 -0.50 1.44 5.85 -1.27 -1.22 115.31 120.46 1jgx h LEU 126 Ca 0.39 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 1jgx h LEU 126 Cb 0.96 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1jgx h LEU 126 CO -0.12 0.85 -0.01 0.00 -0.34 0.00 0.00 178.44 178.82 1jgx h ALA 127 N 1.17 0.67 -0.42 1.25 0.00 -0.38 -1.92 119.26 119.63 1jgx h ALA 127 Ca 0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1jgx h ALA 127 Cb 0.91 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1jgx h ALA 127 CO 0.08 0.49 0.16 -0.92 0.00 0.00 0.00 179.25 179.06 1jgx h TYR 128 N 0.75 0.65 0.00 0.00 3.20 -1.17 -2.31 116.97 118.09 1jgx h TYR 128 Ca 0.14 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1jgx h TYR 128 Cb 0.53 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.61 1jgx h TYR 128 CO 0.04 0.58 0.00 -0.07 -1.64 0.00 0.00 178.16 177.07 1jgx h LEU 129 N 0.54 0.00 -0.10 2.82 3.38 -1.08 -1.80 115.31 119.07 1jgx h LEU 129 Ca 0.14 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1jgx h LEU 129 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1jgx h LEU 129 CO -0.01 0.00 -0.23 0.74 0.09 0.00 0.00 178.44 179.03 1jgx h THR 130 N 0.00 1.40 -0.17 0.22 2.02 -0.80 0.88 112.91 116.45 1jgx h THR 130 Ca 0.00 -1.54 -0.10 0.00 0.77 0.00 0.00 66.41 65.53 1jgx h THR 130 Cb 0.44 2.16 -0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1jgx h THR 130 CO 0.00 0.44 -0.30 -0.07 0.37 0.00 0.00 175.52 175.97 1jgx h LEU 131 N -0.13 0.56 0.00 2.58 3.38 -1.12 -0.91 115.31 119.67 1jgx h LEU 131 Ca -0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1jgx h LEU 131 Cb 0.83 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1jgx h LEU 131 CO 0.05 0.99 -0.86 1.33 0.09 0.00 0.00 178.44 180.04 1jgx n VAL 132 N -4.37 0.12 0.05 1.22 0.24 -0.71 -4.46 118.33 110.42 1jgx n VAL 132 Ca -0.06 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1jgx n VAL 132 Cb 0.47 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 1jgx n VAL 132 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1jgx n LEU 133 N -1.81 0.39 -0.02 1.34 7.94 -0.46 -4.75 117.00 119.64 1jgx n LEU 133 Ca 0.03 0.16 -0.11 0.00 -1.11 0.00 0.00 56.01 54.98 1jgx n LEU 133 Cb 0.40 -0.04 -0.05 0.00 0.53 0.00 0.00 43.42 44.26 1jgx n LEU 133 CO 0.39 -0.66 0.90 -0.26 -1.11 0.00 0.00 177.39 176.65 1jgx h PHE 134 N 0.00 0.16 0.03 1.96 0.04 -0.92 -0.98 116.94 117.23 1jgx h PHE 134 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1jgx h PHE 134 Cb 0.00 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.10 1jgx h PHE 134 CO 0.00 0.14 -0.01 -0.09 -0.60 0.00 0.00 178.31 177.74 1jgx h ARG 135 N 0.14 -0.04 -0.40 1.51 2.43 -1.39 -2.00 114.38 114.63 1jgx h ARG 135 Ca 0.05 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1jgx h ARG 135 Cb 0.02 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1jgx h ARG 135 CO -0.01 0.10 0.24 -1.35 -1.51 0.00 0.00 179.97 177.43 1jgx h PRO 136 N -0.17 0.46 -0.15 0.20 0.11 -1.77 -1.52 132.00 129.16 1jgx h PRO 136 Ca -0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 1jgx h PRO 136 Cb 0.15 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 1jgx h PRO 136 CO 0.01 0.31 0.01 0.28 -0.21 0.00 0.00 178.00 178.39 1jgx h VAL 137 N 0.48 1.10 0.00 3.15 2.07 -1.13 -0.98 116.25 120.94 1jgx h VAL 137 Ca 0.16 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1jgx h VAL 137 Cb 0.00 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1jgx h VAL 137 CO -0.07 0.12 0.00 0.24 0.02 0.00 0.00 177.57 177.88 1jgx h MET 138 N 0.22 0.00 -0.37 1.57 2.86 -0.77 -3.06 114.93 115.38 1jgx h MET 138 Ca 0.05 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1jgx h MET 138 Cb 0.14 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1jgx h MET 138 CO 0.00 0.00 0.01 -1.33 1.06 0.00 0.00 176.91 176.65 1jgx n MET 139 N -2.70 3.45 -4.29 1.72 2.81 -0.51 -5.00 117.12 112.60 1jgx n MET 139 Ca 0.05 -2.96 -0.34 0.00 -1.81 0.00 0.00 57.70 52.64 1jgx n MET 139 Cb 0.48 -1.98 -0.07 0.00 -0.71 0.00 0.00 33.22 30.95 1jgx n MET 139 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jgx n GLY 140 N -0.22 -0.26 3.36 3.03 0.00 -0.49 -4.94 105.19 105.67 1jgx n GLY 140 Ca 0.24 0.14 0.03 0.00 0.00 0.00 0.00 46.02 46.43 1jgx n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jgx s ALA 141 N -3.84 -3.03 0.30 4.61 0.00 -0.80 -3.92 121.76 115.08 1jgx s ALA 141 Ca 0.33 1.87 0.35 0.00 0.00 0.00 0.00 51.96 54.52 1jgx s ALA 141 Cb -0.19 -2.17 1.91 0.00 0.00 0.00 0.00 23.12 22.67 1jgx s ALA 141 CO 0.97 -0.74 2.09 -1.49 0.00 0.00 0.00 175.76 176.59 1jgx h TRP 142 N 6.42 0.00 0.00 0.00 4.06 -1.44 -2.57 115.95 122.43 1jgx h TRP 142 Ca -0.18 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.77 1jgx h TRP 142 Cb 1.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 1jgx h TRP 142 CO 0.21 0.00 0.00 0.78 -3.56 0.00 0.00 178.44 175.87 1jgx h GLY 143 N 0.11 0.00 1.41 1.49 0.00 -1.78 -1.95 103.07 102.36 1jgx h GLY 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jgx h GLY 143 CO 0.00 0.00 -0.29 -1.72 0.00 0.00 0.00 176.54 174.53 1jgx n TYR 144 N -2.73 0.01 -0.97 5.60 4.01 -0.97 -4.87 117.16 117.24 1jgx n TYR 144 Ca -0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.43 1jgx n TYR 144 Cb 0.10 -0.36 0.23 0.00 -0.31 0.00 0.00 39.34 39.00 1jgx n TYR 144 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jgx s ALA 145 N -3.00 0.40 0.19 -0.72 0.00 -0.73 -4.92 121.76 112.98 1jgx s ALA 145 Ca 0.12 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.39 1jgx s ALA 145 Cb 0.18 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 1jgx s ALA 145 CO 0.63 -3.57 0.31 -0.59 0.00 0.00 0.00 175.76 172.53 1jgx s PHE 146 N -2.86 3.46 0.29 0.00 -0.12 -1.26 -4.94 117.98 112.55 1jgx s PHE 146 Ca 0.69 0.06 -0.13 0.00 -0.05 0.00 0.00 56.93 57.50 1jgx s PHE 146 Cb -0.14 -1.62 -0.08 0.00 -0.63 0.00 0.00 43.02 40.55 1jgx s PHE 146 CO 0.57 0.49 0.67 -1.25 -0.05 0.00 0.00 175.22 175.66 1jgx s PRO 147 N -3.52 3.93 -0.82 1.99 0.04 -1.26 -4.77 135.00 130.58 1jgx s PRO 147 Ca 0.34 0.53 -0.20 0.00 0.04 0.00 0.00 61.00 61.71 1jgx s PRO 147 Cb -0.10 -2.50 0.11 0.00 0.04 0.00 0.00 34.50 32.05 1jgx s PRO 147 CO 0.28 0.20 1.04 0.71 0.04 0.00 0.00 177.00 179.28 1jgx s TYR 148 N -1.94 3.00 -0.23 0.56 2.02 -1.05 -4.29 117.35 115.43 1jgx s TYR 148 Ca 0.52 -1.14 -0.26 0.00 -0.37 0.00 0.00 57.07 55.81 1jgx s TYR 148 Cb -0.10 -4.25 0.08 0.00 -0.40 0.00 0.00 41.96 37.29 1jgx s TYR 148 CO 0.19 -1.50 0.80 0.20 -1.57 0.00 0.00 175.55 173.66 1jgx s GLY 149 N 3.62 -0.45 0.10 0.71 0.00 -1.26 -1.30 107.32 108.75 1jgx s GLY 149 Ca 0.28 2.04 -0.34 0.00 0.00 0.00 0.00 44.72 46.70 1jgx s GLY 149 CO -0.03 1.58 1.57 -2.22 0.00 0.00 0.00 173.10 174.00 1jgx h ILE 150 N 3.65 0.04 0.03 0.90 1.08 -1.79 -1.87 117.51 119.54 1jgx h ILE 150 Ca -0.28 0.00 -0.34 0.00 -0.39 0.00 0.00 64.86 63.85 1jgx h ILE 150 Cb 1.16 0.04 -0.05 0.00 -3.07 0.00 0.00 36.82 34.90 1jgx h ILE 150 CO 0.14 0.00 -2.05 0.79 -0.69 0.00 0.00 178.15 176.34 1jgx n TRP 151 N -5.50 0.65 0.06 1.37 7.02 -1.26 -4.04 117.44 115.75 1jgx n TRP 151 Ca -0.09 0.20 0.16 0.00 -1.02 0.00 0.00 57.50 56.75 1jgx n TRP 151 Cb 0.42 -1.11 0.65 0.00 -2.42 0.00 0.00 31.31 28.85 1jgx n TRP 151 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 1jgx h THR 152 N 0.01 0.83 0.00 -0.99 1.35 -1.92 0.16 112.91 112.36 1jgx h THR 152 Ca -0.42 -0.02 -0.10 0.00 -0.55 0.00 0.00 66.41 65.31 1jgx h THR 152 Cb 2.07 0.77 -0.01 0.00 -1.73 0.00 0.00 68.15 69.24 1jgx h THR 152 CO 0.05 0.01 -0.49 1.12 -0.25 0.00 0.00 175.52 175.95 1jgx h HIS 153 N 0.05 0.00 0.00 4.73 2.07 -1.48 -2.63 115.15 117.90 1jgx h HIS 153 Ca 0.18 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.63 1jgx h HIS 153 Cb 0.66 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.63 1jgx h HIS 153 CO -0.00 0.49 -0.33 -0.07 -3.07 0.00 0.00 177.93 174.95 1jgx h LEU 154 N 0.00 0.00 -0.32 6.12 3.38 -0.86 -2.62 115.31 121.01 1jgx h LEU 154 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1jgx h LEU 154 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1jgx h LEU 154 CO 0.06 0.33 -0.11 0.44 0.09 0.00 0.00 178.44 179.25 1jgx h ASP 155 N 0.00 0.65 -0.89 -0.43 3.45 -0.97 -2.33 116.42 115.90 1jgx h ASP 155 Ca -0.00 -0.39 0.03 0.00 0.43 0.00 0.00 57.03 57.10 1jgx h ASP 155 Cb 0.97 -0.18 -0.05 0.00 -0.56 0.00 0.00 39.33 39.51 1jgx h ASP 155 CO 0.04 0.89 0.59 -0.25 -1.57 0.00 0.00 179.24 178.94 1jgx h TRP 156 N 0.41 1.09 0.28 4.55 7.01 -1.13 -0.85 115.95 127.31 1jgx h TRP 156 Ca 0.08 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 1jgx h TRP 156 Cb 0.63 -0.37 0.00 0.00 -2.10 0.00 0.00 29.16 27.32 1jgx h TRP 156 CO 0.06 0.65 -0.14 0.28 -2.79 0.00 0.00 178.44 176.50 1jgx h VAL 157 N 1.14 0.75 -0.72 2.65 2.07 -1.36 -0.74 116.25 120.04 1jgx h VAL 157 Ca 0.35 -0.50 0.14 0.00 0.82 0.00 0.00 66.70 67.51 1jgx h VAL 157 Cb -0.02 1.02 -0.10 0.00 -1.52 0.00 0.00 31.29 30.67 1jgx h VAL 157 CO -0.10 0.10 0.22 0.28 0.02 0.00 0.00 177.57 178.10 1jgx h SER 158 N -0.66 0.13 0.30 0.57 0.02 -0.96 0.17 113.55 113.12 1jgx h SER 158 Ca -0.04 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1jgx h SER 158 Cb 0.46 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1jgx h SER 158 CO 0.06 0.03 -0.14 0.78 -1.14 0.00 0.00 176.83 176.42 1jgx h ASN 159 N 0.34 -0.34 -0.95 3.07 2.35 -1.17 -2.03 115.58 116.85 1jgx h ASN 159 Ca 0.40 -0.06 0.27 0.00 -0.55 0.00 0.00 56.30 56.36 1jgx h ASN 159 Cb 0.64 0.09 -0.14 0.00 0.05 0.00 0.00 38.32 38.95 1jgx h ASN 159 CO -0.45 0.13 0.46 0.74 -1.65 0.00 0.00 177.43 176.66 1jgx h THR 160 N -1.07 0.36 0.32 2.81 2.02 -1.00 -0.31 112.91 116.03 1jgx h THR 160 Ca -0.04 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1jgx h THR 160 Cb 0.38 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1jgx h THR 160 CO 0.07 0.06 -0.16 1.23 0.37 0.00 0.00 175.52 177.09 1jgx h GLY 161 N 0.34 -0.45 1.54 2.16 0.00 -0.70 -3.18 103.07 102.78 1jgx h GLY 161 Ca 0.65 0.17 0.00 0.00 0.00 0.00 0.00 47.33 48.15 1jgx h GLY 161 CO -0.59 -0.16 0.07 -1.72 0.00 0.00 0.00 176.54 174.13 1jgx n TYR 162 N -3.44 0.00 0.28 5.60 4.01 -0.75 -1.53 117.16 121.33 1jgx n TYR 162 Ca -0.05 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.86 1jgx n TYR 162 Cb 0.17 -0.35 0.76 0.00 -0.31 0.00 0.00 39.34 39.60 1jgx n TYR 162 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1jgx h THR 163 N 0.00 0.10 -0.12 -0.72 2.02 -1.06 -2.35 112.91 110.79 1jgx h THR 163 Ca 0.00 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1jgx h THR 163 Cb 0.14 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1jgx h THR 163 CO 0.00 0.03 0.00 -1.22 0.37 0.00 0.00 175.52 174.70 1jgx n TYR 164 N -3.16 0.42 -2.81 3.16 4.01 -0.58 -4.88 117.16 113.31 1jgx n TYR 164 Ca -0.00 -0.94 0.00 0.00 -0.16 0.00 0.00 57.90 56.80 1jgx n TYR 164 Cb 0.27 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 1jgx n TYR 164 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jgx n GLY 165 N -1.01 0.33 3.58 2.72 0.00 -0.88 -1.80 105.19 108.13 1jgx n GLY 165 Ca 0.18 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 1jgx n GLY 165 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jgx s ASN 166 N -4.00 6.50 0.64 1.61 3.84 -1.26 -3.71 114.94 118.55 1jgx s ASN 166 Ca 0.00 0.20 0.32 0.00 0.21 0.00 0.00 52.86 53.58 1jgx s ASN 166 Cb 0.00 -2.55 1.74 0.00 -0.55 0.00 0.00 41.25 39.89 1jgx s ASN 166 CO 0.00 -1.40 2.03 0.15 -2.79 0.00 0.00 177.10 175.09 1jgx h PHE 167 N 9.43 0.00 -0.34 0.43 3.57 -1.82 -2.17 116.94 126.05 1jgx h PHE 167 Ca -0.24 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.35 1jgx h PHE 167 Cb 1.06 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1jgx h PHE 167 CO 1.01 0.00 0.81 0.45 -2.23 0.00 0.00 178.31 178.35 1jgx h HIS 168 N 0.00 0.00 0.00 0.41 3.86 -1.96 0.28 115.15 117.74 1jgx h HIS 168 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1jgx h HIS 168 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1jgx h HIS 168 CO 0.00 0.00 -0.32 0.66 0.86 0.00 0.00 177.93 179.13 1jgx n TYR 169 N -2.99 0.06 -1.72 2.45 4.01 -0.82 -4.69 117.16 113.47 1jgx n TYR 169 Ca 0.07 0.02 -0.42 0.00 -0.16 0.00 0.00 57.90 57.40 1jgx n TYR 169 Cb 0.93 -0.38 -0.03 0.00 -0.31 0.00 0.00 39.34 39.55 1jgx n TYR 169 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1jgx s ASN 170 N -3.12 6.13 0.22 7.72 3.84 0.99 -4.79 114.94 125.93 1jgx s ASN 170 Ca 0.12 2.27 -0.09 0.00 0.21 0.00 0.00 52.86 55.37 1jgx s ASN 170 Cb 0.18 -2.52 0.24 0.00 -0.55 0.00 0.00 41.25 38.59 1jgx s ASN 170 CO 0.64 -1.36 1.83 1.55 -2.79 0.00 0.00 177.10 176.97 1jgx h PRO 171 N 11.98 0.80 0.00 0.43 0.13 -1.88 -1.14 132.00 142.32 1jgx h PRO 171 Ca -0.44 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1jgx h PRO 171 Cb 1.22 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 1jgx h PRO 171 CO 0.96 0.53 -0.16 0.00 -0.23 0.00 0.00 178.00 179.10 1jgx h ALA 172 N 1.34 1.24 -0.16 -0.56 0.00 -1.91 -1.75 119.26 117.46 1jgx h ALA 172 Ca 0.31 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1jgx h ALA 172 Cb 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1jgx h ALA 172 CO -0.15 0.19 -0.57 1.25 0.00 0.00 0.00 179.25 179.97 1jgx h HIS 173 N 0.00 0.66 0.29 0.00 6.17 -1.49 -1.54 115.15 119.24 1jgx h HIS 173 Ca -0.00 -0.24 -0.01 0.00 0.71 0.00 0.00 60.37 60.82 1jgx h HIS 173 Cb 0.43 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 30.24 1jgx h HIS 173 CO 0.00 0.97 -0.14 0.52 0.71 0.00 0.00 177.93 179.99 1jgx h MET 174 N 0.39 -0.38 -0.64 5.26 2.86 -0.64 -0.74 114.93 121.05 1jgx h MET 174 Ca 0.00 0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.76 1jgx h MET 174 Cb 1.12 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.80 1jgx h MET 174 CO 0.11 -0.08 0.28 0.82 1.06 0.00 0.00 176.91 179.09 1jgx h ILE 175 N -0.69 0.81 0.05 -1.22 2.04 -1.44 -1.01 117.51 116.05 1jgx h ILE 175 Ca -0.04 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.67 1jgx h ILE 175 Cb 0.48 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1jgx h ILE 175 CO 0.07 0.09 -0.15 0.00 0.00 0.00 0.00 178.15 178.15 1jgx h ALA 176 N 1.41 -0.22 -0.87 1.87 0.00 -1.18 -1.92 119.26 118.36 1jgx h ALA 176 Ca 0.32 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.28 1jgx h ALA 176 Cb 0.36 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1jgx h ALA 176 CO -0.28 -0.66 0.54 0.82 0.00 0.00 0.00 179.25 179.67 1jgx h ILE 177 N -0.28 1.05 -0.05 0.00 2.04 -0.57 -2.15 117.51 117.55 1jgx h ILE 177 Ca 0.03 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.59 1jgx h ILE 177 Cb 0.32 -0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.31 1jgx h ILE 177 CO -0.11 0.18 -0.28 0.28 0.00 0.00 0.00 178.15 178.22 1jgx h SER 178 N 1.00 -0.84 -0.66 1.72 0.02 -0.56 -0.54 113.55 113.67 1jgx h SER 178 Ca 0.38 0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.51 1jgx h SER 178 Cb 0.15 0.35 -0.06 0.00 0.14 0.00 0.00 62.40 62.99 1jgx h SER 178 CO -0.17 -0.34 0.36 -0.26 -1.14 0.00 0.00 176.83 175.28 1jgx h PHE 179 N -0.39 0.65 -0.24 3.45 0.04 -0.96 -0.01 116.94 119.48 1jgx h PHE 179 Ca 0.08 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.91 1jgx h PHE 179 Cb 0.50 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 1jgx h PHE 179 CO -0.33 0.29 0.01 0.74 -0.60 0.00 0.00 178.31 178.42 1jgx h PHE 180 N 0.65 0.00 -0.27 -0.55 0.04 -0.74 0.18 116.94 116.25 1jgx h PHE 180 Ca 0.30 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.09 1jgx h PHE 180 Cb 0.22 0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 1jgx h PHE 180 CO -0.09 -0.03 0.15 0.74 -0.60 0.00 0.00 178.31 178.48 1jgx h PHE 181 N 0.08 0.37 -0.66 -0.55 0.04 -0.62 -2.59 116.94 113.00 1jgx h PHE 181 Ca 0.11 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.91 1jgx h PHE 181 Cb 0.14 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.13 1jgx h PHE 181 CO -0.19 0.31 0.41 1.15 -0.60 0.00 0.00 178.31 179.39 1jgx h THR 182 N 0.32 1.08 -0.57 -1.55 2.02 -0.68 -1.77 112.91 111.76 1jgx h THR 182 Ca 0.09 -0.27 0.08 0.00 0.77 0.00 0.00 66.41 67.08 1jgx h THR 182 Cb 0.06 0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 66.62 1jgx h THR 182 CO -0.01 0.15 0.22 -1.13 0.37 0.00 0.00 175.52 175.12 1jgx h ASN 183 N 0.80 0.25 -0.52 4.18 -1.24 -0.35 0.26 115.58 118.96 1jgx h ASN 183 Ca 0.27 0.06 -0.11 0.00 0.71 0.00 0.00 56.30 57.24 1jgx h ASN 183 Cb 0.03 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 1jgx h ASN 183 CO -0.11 0.16 -0.07 0.00 -1.29 0.00 0.00 177.43 176.12 1jgx h ALA 184 N 1.37 0.84 0.19 1.57 0.00 -1.08 0.23 119.26 122.38 1jgx h ALA 184 Ca 0.28 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jgx h ALA 184 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1jgx h ALA 184 CO -0.26 0.66 -0.15 1.25 0.00 0.00 0.00 179.25 180.75 1jgx h LEU 185 N 0.90 -0.39 -0.37 0.00 6.46 -0.44 0.11 115.31 121.58 1jgx h LEU 185 Ca 0.15 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 58.00 1jgx h LEU 185 Cb 0.62 0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.63 1jgx h LEU 185 CO 0.04 -0.24 0.06 0.00 -0.62 0.00 0.00 178.44 177.69 1jgx h ALA 186 N 0.42 0.38 -0.82 1.25 0.00 -0.16 -1.67 119.26 118.67 1jgx h ALA 186 Ca -0.01 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1jgx h ALA 186 Cb 0.32 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1jgx h ALA 186 CO -0.01 -0.34 0.41 1.25 0.00 0.00 0.00 179.25 180.55 1jgx h LEU 187 N 0.18 1.07 0.29 0.00 5.85 -0.30 0.74 115.31 123.14 1jgx h LEU 187 Ca 0.18 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1jgx h LEU 187 Cb 0.21 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1jgx h LEU 187 CO -0.24 0.90 -0.41 0.00 -0.34 0.00 0.00 178.44 178.34 1jgx h ALA 188 N 1.22 -0.84 0.28 1.25 0.00 -0.41 -1.35 119.26 119.40 1jgx h ALA 188 Ca 0.28 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jgx h ALA 188 Cb 0.10 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1jgx h ALA 188 CO -0.04 -1.02 -0.24 -0.07 0.00 0.00 0.00 179.25 177.88 1jgx h LEU 189 N -0.76 -0.62 -0.56 0.00 3.38 -1.09 -0.71 115.31 114.94 1jgx h LEU 189 Ca -0.01 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.12 1jgx h LEU 189 Cb 0.72 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.59 1jgx h LEU 189 CO -0.14 -0.36 0.05 -0.74 0.09 0.00 0.00 178.44 177.35 1jgx h HIS 190 N -0.53 0.06 -0.55 1.13 2.76 -0.75 0.45 115.15 117.72 1jgx h HIS 190 Ca -0.02 0.04 -0.10 0.00 -2.20 0.00 0.00 60.37 58.09 1jgx h HIS 190 Cb 0.48 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.48 1jgx h HIS 190 CO -0.14 -0.09 -0.06 0.78 -1.30 0.00 0.00 177.93 177.12 1jgx h GLY 191 N 0.17 1.07 2.00 5.26 0.00 -1.09 -2.67 103.07 107.82 1jgx h GLY 191 Ca 0.29 -0.82 -0.12 0.00 0.00 0.00 0.00 47.33 46.68 1jgx h GLY 191 CO -0.43 0.75 -0.58 0.00 0.00 0.00 0.00 176.54 176.28 1jgx h ALA 192 N 1.02 0.96 -0.01 3.60 0.00 -0.05 -2.87 119.26 121.91 1jgx h ALA 192 Ca 0.15 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1jgx h ALA 192 Cb 0.61 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1jgx h ALA 192 CO 0.04 0.73 -0.02 1.25 0.00 0.00 0.00 179.25 181.24 1jgx h LEU 193 N 0.00 0.04 -0.93 0.00 5.85 0.05 -2.16 115.31 118.16 1jgx h LEU 193 Ca -0.01 -0.54 -0.05 0.00 0.84 0.00 0.00 57.88 58.13 1jgx h LEU 193 Cb 1.08 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1jgx h LEU 193 CO 0.08 0.58 0.25 0.58 -0.34 0.00 0.00 178.44 179.58 1jgx h VAL 194 N -0.49 1.24 -0.41 1.05 2.07 -1.55 -2.78 116.25 115.38 1jgx h VAL 194 Ca 0.00 -0.80 -0.12 0.00 0.82 0.00 0.00 66.70 66.60 1jgx h VAL 194 Cb 0.57 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1jgx h VAL 194 CO 0.00 0.32 -0.22 -0.07 0.02 0.00 0.00 177.57 177.62 1jgx h LEU 195 N 1.01 0.90 -1.13 2.57 3.38 -1.55 -0.48 115.31 120.01 1jgx h LEU 195 Ca 0.23 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1jgx h LEU 195 Cb 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1jgx h LEU 195 CO -0.02 1.12 0.00 0.77 0.09 0.00 0.00 178.44 180.40 1jgx h SER 196 N 0.69 0.00 0.06 -0.43 4.64 -1.24 0.30 113.55 117.57 1jgx h SER 196 Ca 0.09 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.05 1jgx h SER 196 Cb 0.79 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.84 1jgx h SER 196 CO 0.06 0.00 -2.03 0.00 -0.87 0.00 0.00 176.83 173.99 1jgx n ALA 197 N -1.88 1.03 0.22 5.18 0.00 -1.06 -3.70 120.51 120.30 1jgx n ALA 197 Ca 0.01 -0.75 0.11 0.00 0.00 0.00 0.00 53.44 52.80 1jgx n ALA 197 Cb 0.22 -0.42 0.41 0.00 0.00 0.00 0.00 19.45 19.65 1jgx n ALA 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jgx h ALA 198 N -0.18 0.97 -2.72 0.00 0.00 -0.91 -1.34 119.26 115.07 1jgx h ALA 198 Ca -0.48 -0.17 -0.61 0.00 0.00 0.00 0.00 54.91 53.65 1jgx h ALA 198 Cb 1.81 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 19.17 1jgx h ALA 198 CO -0.07 0.23 -0.74 0.09 0.00 0.00 0.00 179.25 178.75 1jgx n ASN 199 N -3.27 1.68 -3.15 0.00 3.02 0.10 -4.88 115.26 108.77 1jgx n ASN 199 Ca 0.01 -2.90 -0.18 0.00 -0.03 0.00 0.00 54.58 51.48 1jgx n ASN 199 Cb 0.46 -0.67 0.13 0.00 -0.61 0.00 0.00 39.78 39.08 1jgx n ASN 199 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1jgx n PRO 200 N 2.18 -0.88 -1.61 3.52 -0.04 -1.24 -4.48 135.00 132.45 1jgx n PRO 200 Ca 0.24 -1.23 -0.39 0.00 -0.04 0.00 0.00 63.50 62.08 1jgx n PRO 200 Cb 0.41 -0.84 0.03 0.00 -0.04 0.00 0.00 33.50 33.06 1jgx n PRO 200 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1jgx n GLU 201 N -2.76 1.11 -1.53 0.54 1.02 -1.26 -4.80 120.64 112.96 1jgx n GLU 201 Ca 0.10 0.41 -0.49 0.00 -0.02 0.00 0.00 57.16 57.16 1jgx n GLU 201 Cb 0.35 -2.10 -0.04 0.00 -0.02 0.00 0.00 31.44 29.63 1jgx n GLU 201 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1jgx n LYS 202 N -0.43 0.81 0.00 3.49 4.81 -1.26 -1.63 118.16 123.95 1jgx n LYS 202 Ca 0.11 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 1jgx n LYS 202 Cb 0.44 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 33.83 1jgx n LYS 202 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jgx n GLY 203 N 1.81 2.52 3.77 3.14 0.00 -1.26 -4.99 105.19 110.18 1jgx n GLY 203 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1jgx n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jgx s LYS 204 N 0.00 2.08 0.57 1.61 1.02 -0.64 -5.02 119.74 119.35 1jgx s LYS 204 Ca 0.00 0.90 -0.14 0.00 0.02 0.00 0.00 55.97 56.75 1jgx s LYS 204 Cb 0.00 -1.90 -0.06 0.00 -0.52 0.00 0.00 37.83 35.36 1jgx s LYS 204 CO 0.00 -1.69 1.01 -1.21 -0.92 0.00 0.00 175.35 172.54 1jgx s GLU 205 N -5.00 3.75 0.15 1.68 2.02 -1.26 -4.84 118.70 115.20 1jgx s GLU 205 Ca 0.61 0.88 -0.33 0.00 0.02 0.00 0.00 54.97 56.15 1jgx s GLU 205 Cb -0.16 -2.10 -0.13 0.00 0.10 0.00 0.00 34.13 31.84 1jgx s GLU 205 CO 0.56 -0.44 1.69 -0.12 0.02 0.00 0.00 175.26 176.97 1jgx n MET 206 N -2.13 2.46 -1.02 1.61 0.00 -1.26 -4.76 117.12 112.00 1jgx n MET 206 Ca 0.06 0.89 -0.27 0.00 -0.00 0.00 0.00 57.70 58.38 1jgx n MET 206 Cb 0.54 -2.71 0.23 0.00 0.00 0.00 0.00 33.22 31.28 1jgx n MET 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1jgx n ARG 207 N 4.24 -2.81 -4.38 2.12 3.00 -0.51 -5.04 116.66 113.28 1jgx n ARG 207 Ca 0.17 -1.63 -0.19 0.00 -0.01 0.00 0.00 57.85 56.19 1jgx n ARG 207 Cb 0.32 -1.48 -0.10 0.00 0.00 0.00 0.00 32.46 31.20 1jgx n ARG 207 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1jgx s THR 208 N -2.89 1.13 0.59 0.55 -4.23 -1.26 -4.79 115.64 104.74 1jgx s THR 208 Ca 0.65 -2.03 0.29 0.00 -1.18 0.00 0.00 61.69 59.42 1jgx s THR 208 Cb -0.06 -2.55 0.36 0.00 1.34 0.00 0.00 72.50 71.60 1jgx s THR 208 CO 0.50 -0.18 2.05 1.55 -0.54 0.00 0.00 174.62 178.00 1jgx h PRO 209 N 2.31 0.00 -0.24 3.99 0.13 -1.99 0.21 132.00 136.41 1jgx h PRO 209 Ca -0.39 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1jgx h PRO 209 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1jgx h PRO 209 CO 0.66 0.00 0.09 -0.44 -0.23 0.00 0.00 178.00 178.08 1jgx h ASP 210 N 0.00 0.34 -0.75 1.44 5.19 -1.99 0.22 116.42 120.86 1jgx h ASP 210 Ca 0.11 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1jgx h ASP 210 Cb 0.66 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.04 1jgx h ASP 210 CO -0.00 0.43 0.48 0.45 -3.12 0.00 0.00 179.24 177.47 1jgx h HIS 211 N 0.23 0.96 0.28 4.55 3.86 -1.01 0.95 115.15 124.97 1jgx h HIS 211 Ca 0.08 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1jgx h HIS 211 Cb 0.20 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.35 1jgx h HIS 211 CO -0.00 0.62 -0.13 0.93 0.86 0.00 0.00 177.93 180.21 1jgx h GLU 212 N 1.03 -0.36 -0.57 2.45 5.08 -0.66 0.19 114.58 121.73 1jgx h GLU 212 Ca 0.27 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1jgx h GLU 212 Cb -0.08 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1jgx h GLU 212 CO -0.06 -0.22 0.34 -0.44 -1.00 0.00 0.00 179.01 177.64 1jgx h ASP 213 N -0.41 0.69 0.17 1.42 3.32 -0.64 -2.84 116.42 118.14 1jgx h ASP 213 Ca -0.04 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 56.97 1jgx h ASP 213 Cb 0.31 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 1jgx h ASP 213 CO 0.06 0.55 -0.40 0.74 -1.72 0.00 0.00 179.24 178.47 1jgx h THR 214 N 0.77 0.19 -0.79 0.35 2.02 -0.55 -1.86 112.91 113.04 1jgx h THR 214 Ca 0.20 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.50 1jgx h THR 214 Cb -0.01 0.19 -0.13 0.00 -1.74 0.00 0.00 68.15 66.46 1jgx h THR 214 CO -0.04 0.00 -0.44 0.15 0.37 0.00 0.00 175.52 175.56 1jgx h PHE 215 N -0.67 -1.29 -0.31 3.16 3.57 -0.39 0.06 116.94 121.07 1jgx h PHE 215 Ca 0.01 0.10 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 1jgx h PHE 215 Cb 0.67 0.68 -0.01 0.00 2.79 0.00 0.00 35.95 40.08 1jgx h PHE 215 CO -0.33 -0.40 -0.25 0.74 -2.23 0.00 0.00 178.31 175.84 1jgx h PHE 216 N -0.11 0.69 0.24 0.41 0.04 -1.34 -1.22 116.94 115.65 1jgx h PHE 216 Ca 0.24 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1jgx h PHE 216 Cb 0.55 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 1jgx h PHE 216 CO -0.81 0.80 -0.13 0.00 -0.60 0.00 0.00 178.31 177.57 1jgx h ARG 217 N 0.53 -0.34 -0.43 1.51 2.47 -0.41 0.32 114.38 118.05 1jgx h ARG 217 Ca 0.07 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.89 1jgx h ARG 217 Cb 0.71 0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 29.04 1jgx h ARG 217 CO 0.05 -0.22 0.04 -0.44 0.56 0.00 0.00 179.97 179.96 1jgx h ASP 218 N -0.35 -0.09 0.56 7.04 3.32 -0.89 0.44 116.42 126.45 1jgx h ASP 218 Ca -0.03 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1jgx h ASP 218 Cb 0.28 0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.98 1jgx h ASP 218 CO 0.04 -0.01 -0.27 0.25 -1.72 0.00 0.00 179.24 177.53 1jgx h LEU 219 N 0.16 -0.63 -1.30 1.55 5.85 -0.74 -3.39 115.31 116.80 1jgx h LEU 219 Ca 0.21 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1jgx h LEU 219 Cb 0.29 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1jgx h LEU 219 CO -0.32 -0.28 0.00 1.33 -0.34 0.00 0.00 178.44 178.83 1jgx n VAL 220 N -5.32 0.17 0.00 1.05 0.24 0.11 -5.02 118.33 109.57 1jgx n VAL 220 Ca -0.11 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 1jgx n VAL 220 Cb 0.33 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.66 1jgx n VAL 220 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jgx n GLY 221 N -0.09 2.26 3.08 7.63 0.00 0.16 -4.99 105.19 113.24 1jgx n GLY 221 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1jgx n GLY 221 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jgx s TYR 222 N -2.29 0.57 -0.16 1.61 5.04 -1.25 -4.78 117.35 116.09 1jgx s TYR 222 Ca 0.00 -0.88 -0.04 0.00 -2.44 0.00 0.00 57.07 53.71 1jgx s TYR 222 Cb 0.00 -0.38 0.06 0.00 0.35 0.00 0.00 41.96 41.99 1jgx s TYR 222 CO 0.00 -0.27 0.12 0.45 -1.34 0.00 0.00 175.55 174.51 1jgx s SER 223 N -2.54 1.90 0.50 4.32 0.15 -1.26 -3.92 113.70 112.85 1jgx s SER 223 Ca 0.02 -0.39 0.17 0.00 0.70 0.00 0.00 55.95 56.45 1jgx s SER 223 Cb 0.02 -0.07 1.23 0.00 -1.71 0.00 0.00 66.02 65.49 1jgx s SER 223 CO -0.06 -0.33 2.10 -0.29 1.20 0.00 0.00 173.24 175.86 1jgx h ILE 224 N 6.40 1.00 0.00 6.45 2.10 -1.98 -3.48 117.51 127.99 1jgx h ILE 224 Ca -0.15 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.57 1jgx h ILE 224 Cb 1.15 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 38.00 1jgx h ILE 224 CO 0.26 0.06 0.00 0.61 -1.08 0.00 0.00 178.15 178.01 1jgx n GLY 225 N -1.32 1.81 0.38 8.18 0.00 -1.26 -4.06 105.19 108.91 1jgx n GLY 225 Ca -0.03 -1.75 0.16 0.00 0.00 0.00 0.00 46.02 44.40 1jgx n GLY 225 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1jgx h THR 226 N 0.00 0.72 0.15 2.61 1.35 -1.96 0.28 112.91 116.07 1jgx h THR 226 Ca 0.00 -0.20 -0.33 0.00 -0.55 0.00 0.00 66.41 65.33 1jgx h THR 226 Cb 0.00 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.50 1jgx h THR 226 CO 0.00 0.11 -1.62 0.25 -0.25 0.00 0.00 175.52 174.01 1jgx h LEU 227 N 0.59 0.51 -0.19 3.87 5.85 -2.01 -3.36 115.31 120.57 1jgx h LEU 227 Ca 0.50 -0.72 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1jgx h LEU 227 Cb 0.99 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1jgx h LEU 227 CO -0.25 1.60 0.11 1.23 -0.34 0.00 0.00 178.44 180.79 1jgx h GLY 228 N 1.19 0.25 1.80 3.75 0.00 -1.43 -2.26 103.07 106.38 1jgx h GLY 228 Ca -0.29 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 46.99 1jgx h GLY 228 CO 0.18 0.07 0.07 1.19 0.00 0.00 0.00 176.54 178.05 1jgx h ILE 229 N 0.22 0.77 0.00 2.60 6.09 -1.15 0.57 117.51 126.62 1jgx h ILE 229 Ca 0.07 0.00 -0.20 0.00 -1.37 0.00 0.00 64.86 63.36 1jgx h ILE 229 Cb -0.00 0.95 -0.03 0.00 0.47 0.00 0.00 36.82 38.20 1jgx h ILE 229 CO -0.04 0.00 -0.94 0.45 -3.07 0.00 0.00 178.15 174.55 1jgx h HIS 230 N 0.00 0.00 -0.15 2.19 3.86 -1.62 -0.07 115.15 119.37 1jgx h HIS 230 Ca 0.04 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.06 1jgx h HIS 230 Cb 0.19 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.67 1jgx h HIS 230 CO 0.00 0.94 -0.65 0.00 0.86 0.00 0.00 177.93 179.08 1jgx h ARG 231 N 0.00 0.70 -0.13 2.45 3.08 -0.47 -2.73 114.38 117.29 1jgx h ARG 231 Ca -0.01 -0.56 0.01 0.00 0.07 0.00 0.00 59.98 59.49 1jgx h ARG 231 Cb 1.73 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.88 1jgx h ARG 231 CO 0.12 1.17 0.07 1.25 -1.07 0.00 0.00 179.97 181.51 1jgx h LEU 232 N 0.40 0.11 -0.46 3.04 5.85 0.13 -1.50 115.31 122.88 1jgx h LEU 232 Ca -0.04 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1jgx h LEU 232 Cb 1.28 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 1jgx h LEU 232 CO 0.14 0.08 0.27 1.23 -0.34 0.00 0.00 178.44 179.82 1jgx h GLY 233 N 0.14 0.64 0.98 3.75 0.00 -1.03 0.27 103.07 107.83 1jgx h GLY 233 Ca 0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1jgx h GLY 233 CO -0.03 0.17 0.24 -2.00 0.00 0.00 0.00 176.54 174.92 1jgx h LEU 234 N 0.54 0.47 -0.48 3.11 5.85 -1.31 -2.60 115.31 120.89 1jgx h LEU 234 Ca 0.18 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 1jgx h LEU 234 Cb 0.02 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1jgx h LEU 234 CO -0.09 0.39 0.08 0.25 -0.34 0.00 0.00 178.44 178.74 1jgx h LEU 235 N 0.52 0.76 -0.01 2.25 5.85 -0.84 -1.98 115.31 121.86 1jgx h LEU 235 Ca 0.14 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1jgx h LEU 235 Cb 0.00 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 1jgx h LEU 235 CO -0.03 0.82 0.01 -0.07 -0.34 0.00 0.00 178.44 178.83 1jgx h LEU 236 N 0.67 0.02 0.00 2.25 3.38 -0.37 -1.36 115.31 119.89 1jgx h LEU 236 Ca 0.15 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jgx h LEU 236 Cb 0.38 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1jgx h LEU 236 CO 0.01 0.09 0.00 -1.20 0.09 0.00 0.00 178.44 177.43 1jgx n SER 237 N -5.04 0.00 -0.35 -0.43 7.64 -0.99 -0.97 113.62 113.48 1jgx n SER 237 Ca -0.07 0.95 0.25 0.00 1.01 0.00 0.00 58.87 61.01 1jgx n SER 237 Cb 0.07 -0.45 0.51 0.00 -1.01 0.00 0.00 64.21 63.33 1jgx n SER 237 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1jgx h LEU 238 N 0.00 0.45 -0.47 -3.43 3.38 -1.43 0.45 115.31 114.26 1jgx h LEU 238 Ca 0.00 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1jgx h LEU 238 Cb 0.00 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1jgx h LEU 238 CO 0.00 -0.01 0.09 0.28 0.09 0.00 0.00 178.44 178.89 1jgx h SER 239 N 0.34 0.73 -0.31 -0.43 0.02 -1.00 0.38 113.55 113.27 1jgx h SER 239 Ca 0.68 -0.25 0.04 0.00 -0.84 0.00 0.00 61.79 61.42 1jgx h SER 239 Cb 1.72 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 64.03 1jgx h SER 239 CO -0.41 0.79 0.09 0.00 -1.14 0.00 0.00 176.83 176.16 1jgx h ALA 240 N 0.96 0.35 -0.17 3.77 0.00 0.17 -1.34 119.26 123.00 1jgx h ALA 240 Ca 0.14 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1jgx h ALA 240 Cb 0.36 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1jgx h ALA 240 CO 0.01 -0.31 -0.43 0.28 0.00 0.00 0.00 179.25 178.79 1jgx h VAL 241 N 0.22 1.31 -0.10 0.00 2.07 -1.20 -2.25 116.25 116.30 1jgx h VAL 241 Ca 0.14 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1jgx h VAL 241 Cb 0.13 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1jgx h VAL 241 CO -0.16 0.49 0.07 0.15 0.02 0.00 0.00 177.57 178.14 1jgx h PHE 242 N 0.34 0.13 0.00 1.57 3.57 -0.39 -1.43 116.94 120.74 1jgx h PHE 242 Ca 0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1jgx h PHE 242 Cb 0.90 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.59 1jgx h PHE 242 CO 0.03 0.09 0.00 0.74 -2.23 0.00 0.00 178.31 176.94 1jgx h PHE 243 N 0.13 0.00 0.01 0.41 0.04 -1.16 -1.64 116.94 114.73 1jgx h PHE 243 Ca 0.04 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 1jgx h PHE 243 Cb -0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1jgx h PHE 243 CO -0.07 0.00 -0.00 0.77 -0.60 0.00 0.00 178.31 178.41 1jgx h SER 244 N 0.00 -0.01 -0.63 2.17 0.02 -0.73 -1.14 113.55 113.24 1jgx h SER 244 Ca 0.00 -0.69 0.03 0.00 -0.84 0.00 0.00 61.79 60.30 1jgx h SER 244 Cb 0.39 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1jgx h SER 244 CO 0.00 0.69 0.42 0.00 -1.14 0.00 0.00 176.83 176.80 1jgx h ALA 245 N 0.27 1.66 -0.29 3.77 0.00 -0.93 -2.55 119.26 121.18 1jgx h ALA 245 Ca -0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1jgx h ALA 245 Cb 0.69 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jgx h ALA 245 CO 0.00 0.28 -0.49 1.25 0.00 0.00 0.00 179.25 180.29 1jgx h LEU 246 N 0.75 0.86 -1.71 0.00 5.85 -1.25 -0.92 115.31 118.89 1jgx h LEU 246 Ca 0.25 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1jgx h LEU 246 Cb 0.08 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 1jgx h LEU 246 CO -0.07 1.20 -0.17 0.00 -0.34 0.00 0.00 178.44 179.06 1jgx h MET 248 N 0.00 0.22 0.00 0.00 2.86 -1.31 -3.23 114.93 113.46 1jgx h MET 248 Ca -0.00 -0.37 -0.03 0.00 -2.06 0.00 0.00 59.70 57.24 1jgx h MET 248 Cb 0.43 0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 1jgx h MET 248 CO 0.02 1.07 -0.13 0.97 1.06 0.00 0.00 176.91 179.90 1jgx h ILE 249 N 0.06 1.00 0.00 -1.22 6.09 -1.13 -2.22 117.51 120.09 1jgx h ILE 249 Ca -0.38 -0.47 -0.00 0.00 -1.37 0.00 0.00 64.86 62.64 1jgx h ILE 249 Cb 2.03 1.26 -0.00 0.00 0.47 0.00 0.00 36.82 40.58 1jgx h ILE 249 CO 0.10 0.13 -0.72 0.16 -3.07 0.00 0.00 178.15 174.74 1jgx h ILE 250 N 0.00 0.02 -3.55 2.19 3.07 -1.69 -3.41 117.51 114.14 1jgx h ILE 250 Ca -0.00 -1.03 -0.60 0.00 1.55 0.00 0.00 64.86 64.78 1jgx h ILE 250 Cb 0.25 1.66 -0.10 0.00 -0.27 0.00 0.00 36.82 38.35 1jgx h ILE 250 CO 0.02 0.01 0.54 -0.89 -1.05 0.00 0.00 178.15 176.78 1jgx s THR 251 N -3.31 4.59 0.00 0.16 2.01 -0.84 -2.60 115.64 115.65 1jgx s THR 251 Ca 0.02 0.99 0.00 0.00 0.31 0.00 0.00 61.69 63.00 1jgx s THR 251 Cb 0.08 -4.33 0.00 0.00 0.01 0.00 0.00 72.50 68.26 1jgx s THR 251 CO 0.76 -0.59 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 1jgx n GLY 252 N 4.57 0.39 0.53 4.40 0.00 0.02 -4.93 105.19 110.16 1jgx n GLY 252 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1jgx n GLY 252 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jgx n THR 253 N -1.59 0.00 1.08 2.61 -2.24 -1.20 -4.83 114.28 108.10 1jgx n THR 253 Ca 0.00 0.10 0.12 0.00 -2.27 0.00 0.00 64.05 62.00 1jgx n THR 253 Cb 0.00 -0.99 0.25 0.00 -2.10 0.00 0.00 70.33 67.48 1jgx n THR 253 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1jgx n ILE 254 N -2.12 0.00 -3.61 2.28 -5.35 -1.07 -4.76 119.36 104.73 1jgx n ILE 254 Ca 0.00 -0.05 -0.14 0.00 -0.27 0.00 0.00 62.75 62.29 1jgx n ILE 254 Cb 0.00 0.40 -0.13 0.00 -1.74 0.00 0.00 39.64 38.17 1jgx n ILE 254 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 1jgx s TRP 255 N -2.82 -0.43 0.00 4.28 -0.11 -1.08 -5.02 118.94 113.76 1jgx s TRP 255 Ca 0.15 0.84 0.00 0.00 1.22 0.00 0.00 56.10 58.31 1jgx s TRP 255 Cb 0.18 -0.09 0.00 0.00 -1.50 0.00 0.00 33.47 32.06 1jgx s TRP 255 CO 0.65 -0.42 0.17 1.97 -4.62 0.00 0.00 176.95 174.70 1jgx n PHE 256 N 5.35 0.00 -1.54 5.86 1.16 -1.26 -0.80 117.46 126.22 1jgx n PHE 256 Ca -0.06 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.48 1jgx n PHE 256 Cb 0.50 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.39 1jgx n PHE 256 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1jgx n ASP 257 N -0.52 0.08 -4.72 5.98 8.00 -1.26 -4.94 116.55 119.17 1jgx n ASP 257 Ca 0.00 -1.10 -0.42 0.00 0.71 0.00 0.00 54.79 53.98 1jgx n ASP 257 Cb 0.01 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 1jgx n ASP 257 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1jgx s GLN 258 N -3.17 4.25 0.25 -1.24 -1.52 -1.26 -4.82 119.66 112.14 1jgx s GLN 258 Ca 0.10 2.29 -0.05 0.00 -1.95 0.00 0.00 55.36 55.76 1jgx s GLN 258 Cb -0.00 -3.17 0.29 0.00 -0.22 0.00 0.00 33.01 29.91 1jgx s GLN 258 CO 0.07 -0.54 1.83 -1.49 -0.25 0.00 0.00 175.29 174.90 1jgx h TRP 259 N 6.51 1.07 -0.40 0.91 4.06 -1.68 -2.38 115.95 124.04 1jgx h TRP 259 Ca -0.43 -0.07 0.06 0.00 2.06 0.00 0.00 58.89 60.51 1jgx h TRP 259 Cb 1.21 -0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 29.02 1jgx h TRP 259 CO 0.64 0.81 0.27 -0.24 -3.56 0.00 0.00 178.44 176.37 1jgx h VAL 260 N 1.03 0.96 -0.54 1.49 3.04 -1.82 -1.64 116.25 118.77 1jgx h VAL 260 Ca 0.24 -0.11 -0.07 0.00 -1.01 0.00 0.00 66.70 65.75 1jgx h VAL 260 Cb 0.19 0.62 -0.02 0.00 -2.01 0.00 0.00 31.29 30.06 1jgx h VAL 260 CO -0.02 0.06 0.05 0.44 -1.01 0.00 0.00 177.57 177.09 1jgx h ASP 261 N 0.32 0.83 -1.29 3.17 3.32 -1.81 -3.03 116.42 117.93 1jgx h ASP 261 Ca 0.18 -0.19 0.39 0.00 0.02 0.00 0.00 57.03 57.43 1jgx h ASP 261 Cb 0.30 -0.22 -0.10 0.00 0.22 0.00 0.00 39.33 39.53 1jgx h ASP 261 CO -0.04 0.86 0.86 -0.25 -1.72 0.00 0.00 179.24 178.96 1jgx h TRP 262 N 0.82 0.42 0.00 4.55 7.01 -1.30 0.86 115.95 128.31 1jgx h TRP 262 Ca 0.17 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.18 1jgx h TRP 262 Cb 0.41 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.36 1jgx h TRP 262 CO 0.02 -0.08 0.00 0.91 -2.79 0.00 0.00 178.44 176.50 1jgx n TRP 263 N -4.51 0.00 0.22 2.65 7.02 -1.14 -3.36 117.44 118.32 1jgx n TRP 263 Ca 0.33 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.89 1jgx n TRP 263 Cb 1.32 -0.05 0.52 0.00 -2.42 0.00 0.00 31.31 30.68 1jgx n TRP 263 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 1jgx h GLN 264 N 0.00 0.00 -0.47 -0.99 4.20 -1.05 -3.04 115.11 113.76 1jgx h GLN 264 Ca 0.00 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.78 1jgx h GLN 264 Cb 0.02 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 1jgx h GLN 264 CO 0.00 0.24 0.15 0.11 -0.67 0.00 0.00 178.83 178.66 1jgx h TRP 265 N 0.00 0.26 0.42 2.96 5.08 -1.80 0.44 115.95 123.31 1jgx h TRP 265 Ca -0.00 0.02 -0.01 0.00 1.08 0.00 0.00 58.89 59.98 1jgx h TRP 265 Cb 0.55 -0.05 -0.01 0.00 -3.00 0.00 0.00 29.16 26.65 1jgx h TRP 265 CO 0.00 0.08 -0.31 2.35 -1.28 0.00 0.00 178.44 179.28 1jgx h TRP 266 N 0.31 -0.82 -0.08 0.12 2.91 -1.81 -2.71 115.95 113.87 1jgx h TRP 266 Ca 0.22 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.18 1jgx h TRP 266 Cb 0.24 0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 29.19 1jgx h TRP 266 CO -0.17 -0.46 -0.23 -0.24 -1.03 0.00 0.00 178.44 176.31 1jgx h VAL 267 N -0.72 1.20 0.00 2.65 3.04 -1.50 -2.71 116.25 118.22 1jgx h VAL 267 Ca -0.04 -0.94 0.00 0.00 -1.01 0.00 0.00 66.70 64.71 1jgx h VAL 267 Cb 0.61 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 1jgx h VAL 267 CO 0.01 0.28 0.00 0.29 -1.01 0.00 0.00 177.57 177.14 1jgx n LYS 268 N -4.22 0.46 -1.67 4.17 4.76 0.15 -4.14 118.16 117.67 1jgx n LYS 268 Ca -0.01 0.01 -0.52 0.00 -2.87 0.00 0.00 58.31 54.92 1jgx n LYS 268 Cb 0.32 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.95 1jgx n LYS 268 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1jgx n LEU 269 N -1.26 2.60 -0.17 -0.35 4.77 -1.02 -4.48 117.00 117.08 1jgx n LEU 269 Ca 0.14 1.06 -0.05 0.00 -0.03 0.00 0.00 56.01 57.14 1jgx n LEU 269 Cb 0.22 -1.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.01 1jgx n LEU 269 CO 0.22 -0.46 0.27 -2.65 -1.33 0.00 0.00 177.39 173.44 1jgx n PRO 270 N 4.74 -0.18 -0.27 3.23 -0.02 -1.26 0.99 135.00 142.22 1jgx n PRO 270 Ca 0.22 0.77 -0.07 0.00 -2.02 0.00 0.00 63.50 62.40 1jgx n PRO 270 Cb 0.21 -1.14 -0.06 0.00 -0.02 0.00 0.00 33.50 32.49 1jgx n PRO 270 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1jgx n TRP 271 N -4.15 -0.28 0.56 6.00 8.01 -1.26 -1.62 117.44 124.70 1jgx n TRP 271 Ca 0.01 0.81 0.09 0.00 -1.31 0.00 0.00 57.50 57.09 1jgx n TRP 271 Cb 0.11 -0.54 -0.12 0.00 -2.01 0.00 0.00 31.31 28.75 1jgx n TRP 271 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.69 174.01 1jgx n TRP 272 N -4.72 0.00 -0.19 -5.99 2.14 -0.98 -4.71 117.44 102.99 1jgx n TRP 272 Ca 0.01 0.00 0.18 0.00 2.07 0.00 0.00 57.50 59.76 1jgx n TRP 272 Cb 0.17 -0.15 0.31 0.00 -0.81 0.00 0.00 31.31 30.83 1jgx n TRP 272 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1jgx n ALA 273 N -1.69 0.59 0.04 -1.67 0.00 0.28 -1.16 120.51 116.89 1jgx n ALA 273 Ca 0.01 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1jgx n ALA 273 Cb 0.36 -0.52 -0.00 0.00 0.00 0.00 0.00 19.45 19.29 1jgx n ALA 273 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jgx n ASN 274 N -3.95 0.34 -4.59 0.00 4.13 -1.26 -4.91 115.26 105.03 1jgx n ASN 274 Ca 0.20 -0.67 -0.48 0.00 1.68 0.00 0.00 54.58 55.31 1jgx n ASN 274 Cb 0.70 0.71 -0.03 0.00 -1.54 0.00 0.00 39.78 39.62 1jgx n ASN 274 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1jgx n ILE 275 N -0.71 1.06 -1.73 2.41 5.41 -0.31 -4.94 119.36 120.56 1jgx n ILE 275 Ca 0.00 -0.27 -0.31 0.00 1.00 0.00 0.00 62.75 63.17 1jgx n ILE 275 Cb 0.02 -0.96 0.03 0.00 -0.71 0.00 0.00 39.64 38.02 1jgx n ILE 275 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1jgx s PRO 276 N -0.55 3.13 0.00 0.38 0.04 -1.26 -4.89 135.00 131.84 1jgx s PRO 276 Ca 0.70 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1jgx s PRO 276 Cb -0.80 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1jgx s PRO 276 CO 0.53 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 177.03 1jgx n GLY 277 N -1.87 -0.40 5.28 0.56 0.00 -1.23 -5.08 105.19 102.44 1jgx n GLY 277 Ca 0.08 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1jgx n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jgx n GLY 278 N -0.48 -1.28 0.02 -0.02 0.00 -1.26 -4.27 105.19 97.90 1jgx n GLY 278 Ca 0.00 -1.43 0.11 0.00 0.00 0.00 0.00 46.02 44.69 1jgx n GLY 278 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1jgx n ILE 279 N 0.00 0.08 -3.66 -0.61 2.08 -1.26 -4.72 119.36 111.27 1jgx n ILE 279 Ca 0.00 -0.42 -0.38 0.00 0.56 0.00 0.00 62.75 62.50 1jgx n ILE 279 Cb 0.00 0.10 -0.09 0.00 -0.75 0.00 0.00 39.64 38.90 1jgx n ILE 279 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1jgx s ASN 280 N -4.37 5.49 0.00 4.38 0.01 -1.26 -5.29 114.94 113.90 1jgx s ASN 280 Ca -0.04 -2.47 0.00 0.00 -0.71 0.00 0.00 52.86 49.64 1jgx s ASN 280 Cb 0.14 -1.92 0.00 0.00 0.41 0.00 0.00 41.25 39.88 1jgx s ASN 280 CO 0.88 -0.49 0.00 0.61 -1.51 0.00 0.00 177.10 176.59