#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgx s GLU 2 N 0.00 3.49 0.29 0.00 -1.05 -1.26 -5.03 118.70 115.14 1jgx s GLU 2 Ca 0.00 0.85 -0.28 0.00 -0.15 0.00 0.00 54.97 55.39 1jgx s GLU 2 Cb 0.00 -2.07 -0.09 0.00 -0.44 0.00 0.00 34.13 31.53 1jgx s GLU 2 CO 0.00 -0.66 0.97 -0.47 0.95 0.00 0.00 175.26 176.05 1jgx s TYR 3 N -3.04 3.76 -0.09 4.83 5.04 -1.26 -5.00 117.35 121.59 1jgx s TYR 3 Ca 0.57 1.82 0.19 0.00 -2.44 0.00 0.00 57.07 57.20 1jgx s TYR 3 Cb -0.12 -3.00 -0.29 0.00 0.35 0.00 0.00 41.96 38.90 1jgx s TYR 3 CO 0.50 0.15 0.30 1.04 -1.34 0.00 0.00 175.55 176.20 1jgx n GLN 4 N 0.94 0.73 -2.48 4.97 1.13 -1.26 -5.03 117.38 116.38 1jgx n GLN 4 Ca 0.00 -0.12 -0.05 0.00 -1.94 0.00 0.00 57.00 54.89 1jgx n GLN 4 Cb 0.48 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 29.35 1jgx n GLN 4 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1jgx n ASN 5 N -2.41 -2.63 -0.01 1.08 5.15 -1.26 -4.94 115.26 110.24 1jgx n ASN 5 Ca -0.14 -0.07 -0.19 0.00 -0.60 0.00 0.00 54.58 53.57 1jgx n ASN 5 Cb 0.76 -1.52 -0.14 0.00 -0.53 0.00 0.00 39.78 38.36 1jgx n ASN 5 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1jgx n ILE 6 N -3.46 1.74 -4.26 -1.44 2.08 -1.26 -4.91 119.36 107.85 1jgx n ILE 6 Ca -0.02 -0.68 -0.20 0.00 0.56 0.00 0.00 62.75 62.41 1jgx n ILE 6 Cb 0.53 -1.60 -0.12 0.00 -0.75 0.00 0.00 39.64 37.70 1jgx n ILE 6 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1jgx s PHE 7 N -2.56 1.57 0.39 1.39 0.08 -1.26 -4.77 117.98 112.82 1jgx s PHE 7 Ca -0.20 -0.49 -0.23 0.00 0.12 0.00 0.00 56.93 56.13 1jgx s PHE 7 Cb 0.07 -0.83 -0.10 0.00 -0.57 0.00 0.00 43.02 41.59 1jgx s PHE 7 CO 0.77 0.19 0.97 -1.12 -0.10 0.00 0.00 175.22 175.93 1jgx s SER 8 N -2.26 7.01 0.05 1.36 0.01 -0.52 -4.97 113.70 114.38 1jgx s SER 8 Ca 0.08 1.80 0.12 0.00 1.31 0.00 0.00 55.95 59.26 1jgx s SER 8 Cb -0.07 -2.56 -0.18 0.00 0.21 0.00 0.00 66.02 63.42 1jgx s SER 8 CO 0.04 -0.31 0.94 1.56 0.41 0.00 0.00 173.24 175.89 1jgx h GLN 9 N 2.39 0.00 -3.38 12.44 4.20 -1.97 -3.46 115.11 125.32 1jgx h GLN 9 Ca -0.48 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 57.97 1jgx h GLN 9 Cb 1.19 0.00 -0.32 0.00 0.30 0.00 0.00 27.48 28.65 1jgx h GLN 9 CO 0.62 0.60 -0.65 0.08 -0.67 0.00 0.00 178.83 178.82 1jgx s VAL 10 N -2.72 -0.05 -0.01 -0.54 1.01 -1.26 -5.14 120.40 111.69 1jgx s VAL 10 Ca -0.02 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.05 1jgx s VAL 10 Cb 0.09 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 36.25 1jgx s VAL 10 CO 0.81 0.07 0.28 -1.10 0.00 0.00 0.00 175.10 175.17 1jgx s GLN 11 N 1.01 3.63 -0.06 2.72 -0.21 -1.26 -5.09 119.66 120.40 1jgx s GLN 11 Ca -0.08 0.02 0.01 0.00 0.02 0.00 0.00 55.36 55.33 1jgx s GLN 11 Cb -0.11 -3.11 0.02 0.00 1.00 0.00 0.00 33.01 30.81 1jgx s GLN 11 CO -0.04 0.67 -0.06 0.08 -2.12 0.00 0.00 175.29 173.82 1jgx s VAL 12 N -1.22 0.71 0.12 1.09 1.01 -1.26 -5.15 120.40 115.70 1jgx s VAL 12 Ca 0.25 -0.20 0.10 0.00 0.00 0.00 0.00 61.98 62.13 1jgx s VAL 12 Cb -0.14 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1jgx s VAL 12 CO 0.14 0.27 -0.24 -0.60 0.00 0.00 0.00 175.10 174.67 1jgx s ARG 13 N 1.04 1.54 0.29 2.72 3.52 -1.26 -5.10 118.95 121.69 1jgx s ARG 13 Ca -0.09 -1.29 0.06 0.00 -0.13 0.00 0.00 55.73 54.28 1jgx s ARG 13 Cb -0.14 -1.97 -0.02 0.00 -1.56 0.00 0.00 34.95 31.25 1jgx s ARG 13 CO -0.00 0.46 0.22 0.41 -0.81 0.00 0.00 175.30 175.57 1jgx n GLY 14 N 0.89 3.14 3.61 8.12 0.00 -1.26 -5.13 105.19 114.56 1jgx n GLY 14 Ca -0.17 -1.90 -0.39 0.00 0.00 0.00 0.00 46.02 43.56 1jgx n GLY 14 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jgx n PRO 15 N -0.58 1.13 -1.69 1.61 -0.02 -1.26 -4.87 135.00 129.32 1jgx n PRO 15 Ca 0.04 0.42 -0.43 0.00 -2.02 0.00 0.00 63.50 61.52 1jgx n PRO 15 Cb 0.51 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.88 1jgx n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jgx n ALA 16 N -1.12 1.21 -2.56 3.55 0.00 -1.26 -4.94 120.51 115.40 1jgx n ALA 16 Ca 0.11 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.51 1jgx n ALA 16 Cb 0.44 -2.24 -0.09 0.00 0.00 0.00 0.00 19.45 17.55 1jgx n ALA 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jgx s ASP 17 N -0.29 6.24 0.45 0.00 -1.08 -1.26 -4.94 116.67 115.79 1jgx s ASP 17 Ca 0.56 -0.08 0.27 0.00 -0.52 0.00 0.00 52.55 52.78 1jgx s ASP 17 Cb -0.58 -2.22 0.79 0.00 -1.46 0.00 0.00 42.92 39.45 1jgx s ASP 17 CO 0.62 -0.37 1.77 -0.07 0.52 0.00 0.00 175.17 177.64 1jgx h LEU 18 N 8.85 0.00 0.00 -1.34 -0.00 -1.95 -3.43 115.31 117.44 1jgx h LEU 18 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 1jgx h LEU 18 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 1jgx h LEU 18 CO 0.72 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.77 1jgx n GLY 19 N 0.67 -2.09 3.37 0.83 0.00 -1.26 -4.92 105.19 101.78 1jgx n GLY 19 Ca 0.03 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 1jgx n GLY 19 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jgx n MET 20 N -1.40 -0.01 -0.06 1.61 2.81 -1.26 -4.98 117.12 113.82 1jgx n MET 20 Ca 0.00 0.04 -0.11 0.00 -1.81 0.00 0.00 57.70 55.82 1jgx n MET 20 Cb 0.00 -1.70 -0.05 0.00 -0.71 0.00 0.00 33.22 30.76 1jgx n MET 20 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1jgx n ASP 21 N -0.13 2.16 0.00 7.83 8.00 -1.26 -4.96 116.55 128.19 1jgx n ASP 21 Ca 0.07 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1jgx n ASP 21 Cb 0.52 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1jgx n ASP 21 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jgx n GLU 22 N -3.17 0.00 -0.02 -1.24 -0.58 -1.26 0.02 120.64 114.39 1jgx n GLU 22 Ca -0.24 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.63 1jgx n GLU 22 Cb 0.71 0.00 0.52 0.00 -0.57 0.00 0.00 31.44 32.10 1jgx n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1jgx n ASP 23 N -0.65 1.38 -4.64 1.62 8.00 -0.75 -4.93 116.55 116.59 1jgx n ASP 23 Ca 0.00 -1.51 -0.45 0.00 0.71 0.00 0.00 54.79 53.53 1jgx n ASP 23 Cb 0.00 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 1jgx n ASP 23 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1jgx n VAL 24 N 0.09 1.23 -2.73 2.53 0.31 0.10 -4.87 118.33 114.99 1jgx n VAL 24 Ca 0.18 -0.31 -0.42 0.00 -0.01 0.00 0.00 64.34 63.78 1jgx n VAL 24 Cb 0.32 -1.25 -0.04 0.00 -0.91 0.00 0.00 33.84 31.96 1jgx n VAL 24 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1jgx s ASN 25 N 0.01 6.25 0.47 4.52 2.47 -1.26 -4.87 114.94 122.52 1jgx s ASN 25 Ca 0.66 -0.53 0.28 0.00 0.42 0.00 0.00 52.86 53.69 1jgx s ASN 25 Cb -0.70 -2.48 1.52 0.00 -1.45 0.00 0.00 41.25 38.14 1jgx s ASN 25 CO 0.53 -1.50 1.84 -0.07 -3.72 0.00 0.00 177.10 174.19 1jgx h LEU 26 N 11.78 0.00 -1.44 3.21 3.38 -1.92 -2.12 115.31 128.19 1jgx h LEU 26 Ca -0.27 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1jgx h LEU 26 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1jgx h LEU 26 CO 1.18 0.00 -0.08 0.00 0.09 0.00 0.00 178.44 179.64 1jgx h ALA 27 N 1.78 1.54 -0.00 1.53 0.00 -2.02 -2.98 119.26 119.11 1jgx h ALA 27 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1jgx h ALA 27 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jgx h ALA 27 CO 0.00 0.33 -0.25 0.09 0.00 0.00 0.00 179.25 179.42 1jgx n ASN 28 N -4.31 0.51 -4.82 0.00 3.02 -0.80 -4.89 115.26 103.97 1jgx n ASN 28 Ca -0.00 -0.35 -0.33 0.00 -0.03 0.00 0.00 54.58 53.87 1jgx n ASN 28 Cb 0.24 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.37 1jgx n ASN 28 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1jgx s ARG 29 N -2.74 3.92 0.00 3.52 0.52 -1.13 -1.79 118.95 121.25 1jgx s ARG 29 Ca 0.20 1.09 0.00 0.00 -0.52 0.00 0.00 55.73 56.50 1jgx s ARG 29 Cb 0.19 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.53 1jgx s ARG 29 CO 0.57 -0.30 0.00 -1.13 0.02 0.00 0.00 175.30 174.46 1jgx n SER 30 N -1.29 0.00 -4.92 0.23 3.41 -0.41 -4.93 113.62 105.72 1jgx n SER 30 Ca 0.07 -0.47 -0.27 0.00 -0.26 0.00 0.00 58.87 57.94 1jgx n SER 30 Cb 0.54 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 1jgx n SER 30 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1jgx s GLY 31 N -1.59 1.67 0.33 5.00 0.00 -1.26 -4.69 107.32 106.78 1jgx s GLY 31 Ca 0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 44.72 43.74 1jgx s GLY 31 CO 0.00 -0.60 1.36 0.14 0.00 0.00 0.00 173.10 174.00 1jgx s VAL 32 N -2.17 2.56 0.00 1.40 1.01 -1.26 -4.28 120.40 117.66 1jgx s VAL 32 Ca 0.42 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1jgx s VAL 32 Cb -0.10 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1jgx s VAL 32 CO 0.33 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1jgx n GLY 33 N 0.86 0.24 0.00 4.51 0.00 0.35 -4.93 105.19 106.22 1jgx n GLY 33 Ca 0.01 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1jgx n GLY 33 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jgx n PRO 34 N -0.62 1.50 -3.68 1.61 -0.04 -1.26 -4.53 135.00 127.99 1jgx n PRO 34 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 1jgx n PRO 34 Cb 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.29 1jgx n PRO 34 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1jgx s PHE 35 N 0.00 0.36 -0.31 0.54 0.40 -1.26 -2.53 117.98 115.19 1jgx s PHE 35 Ca 0.00 -0.20 -0.24 0.00 -0.60 0.00 0.00 56.93 55.89 1jgx s PHE 35 Cb 0.00 -0.70 0.00 0.00 0.51 0.00 0.00 43.02 42.84 1jgx s PHE 35 CO 0.00 -0.40 0.84 0.45 0.70 0.00 0.00 175.22 176.81 1jgx s SER 36 N 2.08 6.71 0.36 1.36 0.15 0.07 -4.85 113.70 119.58 1jgx s SER 36 Ca 0.03 0.74 0.18 0.00 0.70 0.00 0.00 55.95 57.60 1jgx s SER 36 Cb -0.14 -2.43 0.57 0.00 -1.71 0.00 0.00 66.02 62.31 1jgx s SER 36 CO -0.06 -0.65 1.68 0.74 1.20 0.00 0.00 173.24 176.14 1jgx h THR 37 N 5.61 0.86 0.64 6.45 2.02 -1.96 -1.40 112.91 125.13 1jgx h THR 37 Ca -0.24 -1.64 -0.03 0.00 0.77 0.00 0.00 66.41 65.27 1jgx h THR 37 Cb 1.09 2.02 0.01 0.00 -1.74 0.00 0.00 68.15 69.53 1jgx h THR 37 CO 0.91 0.39 -0.31 0.25 0.37 0.00 0.00 175.52 177.13 1jgx h LEU 38 N 0.00 -0.72 -1.80 2.58 5.85 -1.97 -2.37 115.31 116.88 1jgx h LEU 38 Ca -0.00 0.02 0.18 0.00 0.84 0.00 0.00 57.88 58.92 1jgx h LEU 38 Cb 0.99 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 1jgx h LEU 38 CO 0.05 -0.49 0.51 -0.07 -0.34 0.00 0.00 178.44 178.10 1jgx h LEU 39 N -0.91 0.18 -2.35 2.25 3.38 -1.83 -0.92 115.31 115.11 1jgx h LEU 39 Ca -0.09 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1jgx h LEU 39 Cb 0.65 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1jgx h LEU 39 CO 0.14 0.09 0.18 1.23 0.09 0.00 0.00 178.44 180.17 1jgx h GLY 40 N 0.19 0.00 2.00 0.83 0.00 -0.71 0.36 103.07 105.74 1jgx h GLY 40 Ca 0.36 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.54 1jgx h GLY 40 CO -0.07 0.00 -0.68 1.49 0.00 0.00 0.00 176.54 177.28 1jgx h TRP 41 N 0.00 0.00 0.00 5.60 4.06 -1.02 -3.38 115.95 121.21 1jgx h TRP 41 Ca 0.05 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.80 1jgx h TRP 41 Cb 0.40 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.53 1jgx h TRP 41 CO 0.00 0.68 -1.58 0.34 -3.56 0.00 0.00 178.44 174.32 1jgx n PHE 42 N -3.40 0.14 -1.05 0.49 7.35 -0.28 -1.44 117.46 119.26 1jgx n PHE 42 Ca 0.00 0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 1jgx n PHE 42 Cb 0.76 -0.75 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1jgx n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1jgx n GLY 43 N 1.39 5.57 3.69 7.13 0.00 0.11 -4.87 105.19 118.22 1jgx n GLY 43 Ca -0.30 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.36 1jgx n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jgx s ASN 44 N 1.00 3.32 -0.01 1.61 0.01 -1.26 -3.81 114.94 115.80 1jgx s ASN 44 Ca 0.00 2.17 0.08 0.00 -0.71 0.00 0.00 52.86 54.40 1jgx s ASN 44 Cb 0.00 -2.57 -0.12 0.00 0.41 0.00 0.00 41.25 38.97 1jgx s ASN 44 CO 0.00 -2.84 0.19 0.00 -1.51 0.00 0.00 177.10 172.94 1jgx n ALA 45 N -3.91 2.34 -1.77 0.60 0.00 -1.26 -3.78 120.51 112.74 1jgx n ALA 45 Ca 0.12 -0.20 -0.38 0.00 0.00 0.00 0.00 53.44 52.98 1jgx n ALA 45 Cb 0.52 -0.28 -0.02 0.00 0.00 0.00 0.00 19.45 19.67 1jgx n ALA 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1jgx s GLN 46 N -2.53 4.00 -0.02 0.00 0.74 -1.26 -0.75 119.66 119.84 1jgx s GLN 46 Ca -0.03 1.87 0.07 0.00 0.05 0.00 0.00 55.36 57.33 1jgx s GLN 46 Cb 0.05 -2.65 -0.02 0.00 1.10 0.00 0.00 33.01 31.50 1jgx s GLN 46 CO 0.34 -0.38 -0.24 -0.51 -0.55 0.00 0.00 175.29 173.95 1jgx s LEU 47 N -2.56 2.05 0.00 3.68 1.43 -1.05 -4.90 118.68 117.33 1jgx s LEU 47 Ca 0.58 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1jgx s LEU 47 Cb -0.31 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.66 1jgx s LEU 47 CO 0.39 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.88 1jgx n GLY 48 N 2.51 -1.96 3.85 -3.19 0.00 -1.26 -0.50 105.19 104.64 1jgx n GLY 48 Ca -0.16 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 1jgx n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jgx s PRO 49 N -1.91 2.70 0.05 1.61 0.04 -1.26 -4.55 135.00 131.69 1jgx s PRO 49 Ca 0.00 0.61 0.06 0.00 0.04 0.00 0.00 61.00 61.70 1jgx s PRO 49 Cb 0.00 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1jgx s PRO 49 CO 0.00 -1.18 -0.10 -1.50 0.04 0.00 0.00 177.00 174.26 1jgx s ILE 50 N -3.24 3.35 -0.26 0.56 2.07 -1.26 -4.86 121.20 117.56 1jgx s ILE 50 Ca 0.59 -1.05 -0.14 0.00 -1.41 0.00 0.00 60.65 58.63 1jgx s ILE 50 Cb -0.12 -2.49 -0.04 0.00 0.13 0.00 0.00 42.46 39.94 1jgx s ILE 50 CO 0.53 0.28 0.35 -0.47 -1.91 0.00 0.00 174.94 173.72 1jgx s TYR 51 N -1.06 3.27 0.00 3.50 6.04 -1.26 -1.28 117.35 126.56 1jgx s TYR 51 Ca 0.18 0.42 0.00 0.00 0.04 0.00 0.00 57.07 57.71 1jgx s TYR 51 Cb -0.11 -2.53 0.00 0.00 -1.04 0.00 0.00 41.96 38.28 1jgx s TYR 51 CO 0.09 -0.16 0.00 -0.11 -1.54 0.00 0.00 175.55 173.83 1jgx n LEU 52 N 5.08 1.03 -0.53 6.97 7.94 -0.74 -4.96 117.00 131.79 1jgx n LEU 52 Ca -0.09 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.88 1jgx n LEU 52 Cb 0.51 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.43 1jgx n LEU 52 CO 0.37 0.00 -0.17 0.61 -1.11 0.00 0.00 177.39 177.09 1jgx n GLY 53 N 2.59 -2.22 0.09 -3.96 0.00 -1.26 -3.55 105.19 96.87 1jgx n GLY 53 Ca 0.00 -1.35 -0.03 0.00 0.00 0.00 0.00 46.02 44.64 1jgx n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jgx h SER 54 N -0.51 -0.29 -0.78 1.61 0.02 -1.99 -2.27 113.55 109.35 1jgx h SER 54 Ca -0.03 0.03 0.12 0.00 -0.84 0.00 0.00 61.79 61.07 1jgx h SER 54 Cb 0.50 0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.09 1jgx h SER 54 CO 0.02 -0.10 0.51 0.25 -1.14 0.00 0.00 176.83 176.37 1jgx h LEU 55 N -0.14 0.55 0.17 5.07 5.85 -1.97 -1.48 115.31 123.36 1jgx h LEU 55 Ca -0.00 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1jgx h LEU 55 Cb 0.14 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1jgx h LEU 55 CO -0.05 0.31 -0.11 1.23 -0.34 0.00 0.00 178.44 179.48 1jgx h GLY 56 N 0.59 -0.27 1.01 3.75 0.00 -1.56 -1.85 103.07 104.74 1jgx h GLY 56 Ca 0.37 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1jgx h GLY 56 CO -0.14 -0.11 0.48 -2.08 0.00 0.00 0.00 176.54 174.69 1jgx h VAL 57 N -0.27 1.19 -0.12 4.60 2.07 -0.75 -1.36 116.25 121.62 1jgx h VAL 57 Ca -0.01 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.18 1jgx h VAL 57 Cb 0.23 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 1jgx h VAL 57 CO 0.01 0.19 -0.33 0.25 0.02 0.00 0.00 177.57 177.71 1jgx h LEU 58 N 1.00 -1.02 0.30 2.57 5.85 -1.03 -1.07 115.31 121.92 1jgx h LEU 58 Ca 0.27 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 59.13 1jgx h LEU 58 Cb -0.10 0.43 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1jgx h LEU 58 CO -0.06 -0.37 -0.41 0.28 -0.34 0.00 0.00 178.44 177.54 1jgx h SER 59 N -0.41 -1.18 -0.80 1.25 0.02 -0.92 0.13 113.55 111.64 1jgx h SER 59 Ca 0.09 0.10 0.19 0.00 -0.84 0.00 0.00 61.79 61.34 1jgx h SER 59 Cb 0.55 0.40 -0.13 0.00 0.14 0.00 0.00 62.40 63.37 1jgx h SER 59 CO -0.35 -0.51 0.16 0.25 -1.14 0.00 0.00 176.83 175.24 1jgx h LEU 60 N -0.74 -0.09 0.27 5.07 5.85 -1.09 0.95 115.31 125.54 1jgx h LEU 60 Ca -0.04 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1jgx h LEU 60 Cb 0.67 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1jgx h LEU 60 CO -0.11 -0.12 -0.13 0.15 -0.34 0.00 0.00 178.44 177.88 1jgx h PHE 61 N 0.20 -0.34 -0.59 1.25 3.57 -1.00 -1.82 116.94 118.21 1jgx h PHE 61 Ca 0.47 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 62.08 1jgx h PHE 61 Cb 0.88 0.11 -0.11 0.00 2.79 0.00 0.00 35.95 39.62 1jgx h PHE 61 CO -0.31 0.02 -0.18 1.03 -2.23 0.00 0.00 178.31 176.64 1jgx h SER 62 N -0.81 -0.65 -0.77 0.41 0.87 0.16 -0.99 113.55 111.78 1jgx h SER 62 Ca -0.04 0.19 0.03 0.00 -1.23 0.00 0.00 61.79 60.73 1jgx h SER 62 Cb 0.51 0.40 -0.04 0.00 -0.44 0.00 0.00 62.40 62.83 1jgx h SER 62 CO 0.06 -0.22 0.51 1.23 -0.53 0.00 0.00 176.83 177.88 1jgx h GLY 63 N -0.03 1.07 2.00 5.77 0.00 0.96 -1.79 103.07 111.05 1jgx h GLY 63 Ca 0.28 -0.38 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 1jgx h GLY 63 CO -0.62 0.34 -0.60 1.41 0.00 0.00 0.00 176.54 177.07 1jgx h LEU 64 N 0.97 0.00 -0.77 3.11 3.38 -0.33 -2.56 115.31 119.11 1jgx h LEU 64 Ca 0.30 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 1jgx h LEU 64 Cb -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1jgx h LEU 64 CO -0.08 0.60 0.27 0.24 0.09 0.00 0.00 178.44 179.57 1jgx h MET 65 N 0.00 1.18 0.44 1.13 2.86 -0.41 0.28 114.93 120.41 1jgx h MET 65 Ca -0.01 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 1jgx h MET 65 Cb 1.08 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1jgx h MET 65 CO 0.08 0.98 -0.21 2.35 1.06 0.00 0.00 176.91 181.17 1jgx h TRP 66 N 1.14 -0.55 -0.92 -0.22 7.01 -1.28 0.62 115.95 121.76 1jgx h TRP 66 Ca 0.25 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.35 1jgx h TRP 66 Cb 0.27 0.18 -0.07 0.00 -2.10 0.00 0.00 29.16 27.44 1jgx h TRP 66 CO 0.02 -0.25 0.59 0.35 -2.79 0.00 0.00 178.44 176.36 1jgx h PHE 67 N -0.77 0.98 -0.08 2.65 3.57 -1.25 -2.49 116.94 119.55 1jgx h PHE 67 Ca -0.06 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 1jgx h PHE 67 Cb 0.54 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.97 1jgx h PHE 67 CO -0.01 0.42 -0.32 0.74 -2.23 0.00 0.00 178.31 176.92 1jgx h PHE 68 N 0.88 0.47 -0.24 0.41 0.04 -0.30 -2.67 116.94 115.53 1jgx h PHE 68 Ca 0.44 -0.20 0.05 0.00 2.80 0.00 0.00 57.97 61.06 1jgx h PHE 68 Cb 0.48 -0.08 -0.07 0.00 2.20 0.00 0.00 35.95 38.48 1jgx h PHE 68 CO -0.00 0.93 -0.45 1.15 -0.60 0.00 0.00 178.31 179.34 1jgx h THR 69 N -0.12 0.10 -0.04 -1.55 2.02 -0.49 0.17 112.91 113.01 1jgx h THR 69 Ca -0.02 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.20 1jgx h THR 69 Cb 0.96 0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 67.41 1jgx h THR 69 CO 0.07 0.00 -0.43 0.40 0.37 0.00 0.00 175.52 175.92 1jgx h ILE 70 N -0.45 0.13 -0.73 3.11 2.04 -1.53 -2.22 117.51 117.87 1jgx h ILE 70 Ca 0.09 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.12 1jgx h ILE 70 Cb 0.62 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1jgx h ILE 70 CO -0.47 0.00 0.50 1.23 0.00 0.00 0.00 178.15 179.41 1jgx h GLY 71 N -0.56 0.41 0.95 5.37 0.00 -1.03 -1.13 103.07 107.07 1jgx h GLY 71 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1jgx h GLY 71 CO -0.35 0.02 -0.32 -2.22 0.00 0.00 0.00 176.54 173.68 1jgx h ILE 72 N 0.23 0.32 -0.74 2.60 1.08 -0.36 -1.82 117.51 118.81 1jgx h ILE 72 Ca 0.36 -0.09 0.17 0.00 -0.39 0.00 0.00 64.86 64.90 1jgx h ILE 72 Cb 1.07 0.35 -0.12 0.00 -3.07 0.00 0.00 36.82 35.05 1jgx h ILE 72 CO -0.07 0.01 0.15 -0.25 -0.69 0.00 0.00 178.15 177.29 1jgx h TRP 73 N -0.96 0.21 -0.69 1.37 2.91 -1.04 0.28 115.95 118.03 1jgx h TRP 73 Ca -0.09 0.05 0.07 0.00 1.13 0.00 0.00 58.89 60.04 1jgx h TRP 73 Cb 0.70 0.02 -0.06 0.00 -0.51 0.00 0.00 29.16 29.32 1jgx h TRP 73 CO -0.02 -0.13 0.38 0.74 -1.03 0.00 0.00 178.44 178.39 1jgx h PHE 74 N 0.23 0.70 0.00 2.65 -1.00 -1.06 0.16 116.94 118.62 1jgx h PHE 74 Ca 0.42 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 61.20 1jgx h PHE 74 Cb 0.74 -0.21 -0.00 0.00 3.61 0.00 0.00 35.95 40.08 1jgx h PHE 74 CO -0.29 0.32 -0.14 -1.49 -1.61 0.00 0.00 178.31 175.10 1jgx h TRP 75 N 0.69 0.00 0.35 -0.55 4.06 0.37 0.39 115.95 121.26 1jgx h TRP 75 Ca 0.32 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.25 1jgx h TRP 75 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 1jgx h TRP 75 CO -0.08 0.14 -0.20 1.88 -3.56 0.00 0.00 178.44 176.62 1jgx h TYR 76 N 0.00 -0.52 -1.00 0.49 0.99 0.68 -0.55 116.97 117.07 1jgx h TYR 76 Ca -0.00 -0.01 0.24 0.00 2.00 0.00 0.00 58.73 60.96 1jgx h TYR 76 Cb 0.24 0.18 -0.12 0.00 1.00 0.00 0.00 36.73 38.03 1jgx h TYR 76 CO 0.00 -0.30 0.58 1.96 -0.00 0.00 0.00 178.16 180.40 1jgx h GLN 77 N -0.51 0.57 0.00 4.88 4.20 -0.68 1.08 115.11 124.65 1jgx h GLN 77 Ca -0.05 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1jgx h GLN 77 Cb 0.40 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1jgx h GLN 77 CO 0.06 0.38 0.00 0.00 -0.67 0.00 0.00 178.83 178.60 1jgx n ALA 78 N -2.32 2.19 -2.24 3.87 0.00 0.13 -4.82 120.51 117.32 1jgx n ALA 78 Ca 0.26 -0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.39 1jgx n ALA 78 Cb 0.72 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 1jgx n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgx n GLY 79 N 0.18 -0.02 4.44 0.00 0.00 0.37 -1.24 105.19 108.92 1jgx n GLY 79 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1jgx n GLY 79 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1jgx n TRP 80 N -3.62 0.00 -2.23 1.61 7.02 -0.27 -4.89 117.44 115.04 1jgx n TRP 80 Ca -0.23 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 55.82 1jgx n TRP 80 Cb 0.68 -0.74 -0.02 0.00 -2.42 0.00 0.00 31.31 28.80 1jgx n TRP 80 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 1jgx s ASN 81 N -2.53 6.13 0.17 -0.99 3.84 -0.37 -4.90 114.94 116.29 1jgx s ASN 81 Ca 0.00 0.90 -0.19 0.00 0.21 0.00 0.00 52.86 53.78 1jgx s ASN 81 Cb 0.00 -2.54 0.10 0.00 -0.55 0.00 0.00 41.25 38.27 1jgx s ASN 81 CO 0.00 -1.59 1.64 -0.65 -2.79 0.00 0.00 177.10 173.71 1jgx h PRO 82 N 11.59 -0.11 -0.85 0.43 0.11 -1.90 -0.80 132.00 140.47 1jgx h PRO 82 Ca -0.29 0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.92 1jgx h PRO 82 Cb 1.13 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 1jgx h PRO 82 CO 1.08 -0.07 0.50 0.00 -0.21 0.00 0.00 178.00 179.30 1jgx h ALA 83 N 1.18 1.21 0.58 -0.75 0.00 -1.94 0.21 119.26 119.75 1jgx h ALA 83 Ca 0.20 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1jgx h ALA 83 Cb 0.42 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1jgx h ALA 83 CO -0.48 0.15 -0.28 0.28 0.00 0.00 0.00 179.25 178.93 1jgx h VAL 84 N 0.85 0.42 -0.80 0.00 2.07 -1.62 0.24 116.25 117.42 1jgx h VAL 84 Ca 0.40 -0.06 0.11 0.00 0.82 0.00 0.00 66.70 67.97 1jgx h VAL 84 Cb 0.34 0.45 -0.13 0.00 -1.52 0.00 0.00 31.29 30.43 1jgx h VAL 84 CO -0.23 0.01 -0.44 0.15 0.02 0.00 0.00 177.57 177.08 1jgx h PHE 85 N -0.82 -1.30 -0.35 1.57 3.57 -0.26 0.14 116.94 119.50 1jgx h PHE 85 Ca -0.08 0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1jgx h PHE 85 Cb 0.61 0.68 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 1jgx h PHE 85 CO -0.03 -0.40 0.21 -0.07 -2.23 0.00 0.00 178.31 175.79 1jgx h LEU 86 N -0.11 0.34 0.66 0.59 -0.00 -0.84 -2.28 115.31 113.67 1jgx h LEU 86 Ca 0.24 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.09 1jgx h LEU 86 Cb 0.55 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 1jgx h LEU 86 CO -0.84 0.25 -0.38 -0.09 -0.00 0.00 0.00 178.44 177.39 1jgx h ARG 87 N 0.43 -0.92 -1.17 1.13 2.43 0.12 -3.10 114.38 113.29 1jgx h ARG 87 Ca 0.14 0.06 -0.21 0.00 -0.81 0.00 0.00 59.98 59.16 1jgx h ARG 87 Cb -0.00 0.21 -0.11 0.00 -0.42 0.00 0.00 29.97 29.64 1jgx h ARG 87 CO -0.06 -0.62 0.27 -0.25 -1.51 0.00 0.00 179.97 177.80 1jgx n ASP 88 N -4.77 4.10 -0.25 -3.80 8.00 0.28 -4.54 116.55 115.56 1jgx n ASP 88 Ca -0.12 -2.69 -0.06 0.00 0.71 0.00 0.00 54.79 52.63 1jgx n ASP 88 Cb 0.39 -0.75 0.05 0.00 -0.02 0.00 0.00 41.12 40.79 1jgx n ASP 88 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1jgx h LEU 89 N 1.45 0.87 -0.31 0.64 5.85 -1.33 -1.97 115.31 120.51 1jgx h LEU 89 Ca 0.24 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1jgx h LEU 89 Cb 1.49 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1jgx h LEU 89 CO 0.46 0.73 0.00 0.49 -0.34 0.00 0.00 178.44 179.78 1jgx n PHE 90 N -4.49 0.74 0.00 1.25 3.72 -1.26 -3.82 117.46 113.60 1jgx n PHE 90 Ca 0.06 0.25 -0.22 0.00 -0.05 0.00 0.00 57.45 57.49 1jgx n PHE 90 Cb 0.10 -0.91 -0.14 0.00 -0.94 0.00 0.00 39.48 37.59 1jgx n PHE 90 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 1jgx h PHE 91 N 0.00 0.47 -2.31 1.38 -1.00 -1.71 -2.21 116.94 111.56 1jgx h PHE 91 Ca 0.00 -0.34 -0.51 0.00 2.81 0.00 0.00 57.97 59.93 1jgx h PHE 91 Cb 0.52 -0.02 0.24 0.00 3.61 0.00 0.00 35.95 40.29 1jgx h PHE 91 CO 0.00 1.76 -1.43 1.19 -1.61 0.00 0.00 178.31 178.22 1jgx n PHE 92 N -3.56 -2.24 -3.63 -0.55 3.72 -0.91 -4.73 117.46 105.56 1jgx n PHE 92 Ca -0.31 0.23 -0.06 0.00 -0.05 0.00 0.00 57.45 57.25 1jgx n PHE 92 Cb 1.02 -1.56 -0.06 0.00 -0.94 0.00 0.00 39.48 37.94 1jgx n PHE 92 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1jgx s SER 93 N -1.55 -0.25 -0.57 4.37 0.15 -1.26 -4.52 113.70 110.08 1jgx s SER 93 Ca 0.49 0.41 -0.04 0.00 0.70 0.00 0.00 55.95 57.50 1jgx s SER 93 Cb -0.11 0.39 0.15 0.00 -1.71 0.00 0.00 66.02 64.73 1jgx s SER 93 CO 0.70 -0.14 0.39 -0.22 1.20 0.00 0.00 173.24 175.18 1jgx s LEU 94 N -0.34 5.38 0.57 3.45 2.96 -0.93 -4.96 118.68 124.80 1jgx s LEU 94 Ca 0.04 -2.55 -0.16 0.00 -0.22 0.00 0.00 54.13 51.24 1jgx s LEU 94 Cb -0.03 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 1jgx s LEU 94 CO -0.07 -0.46 1.03 -1.61 -1.32 0.00 0.00 176.35 173.92 1jgx s GLU 95 N 0.38 3.56 1.19 1.98 0.41 -1.26 -2.25 118.70 122.72 1jgx s GLU 95 Ca 0.14 1.09 -0.20 0.00 -0.41 0.00 0.00 54.97 55.58 1jgx s GLU 95 Cb -0.21 -2.07 0.29 0.00 -1.78 0.00 0.00 34.13 30.36 1jgx s GLU 95 CO -0.04 -0.60 1.17 -0.35 -0.49 0.00 0.00 175.26 174.96 1jgx n PRO 96 N -1.90 -2.73 -1.03 0.39 -0.04 -1.26 -4.17 135.00 124.25 1jgx n PRO 96 Ca 0.08 -1.86 -0.30 0.00 -0.04 0.00 0.00 63.50 61.38 1jgx n PRO 96 Cb 0.53 -1.60 0.14 0.00 -0.04 0.00 0.00 33.50 32.53 1jgx n PRO 96 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1jgx s PRO 97 N -5.63 1.37 0.80 0.54 0.04 -1.26 -4.28 135.00 126.58 1jgx s PRO 97 Ca 0.73 1.14 -0.11 0.00 0.04 0.00 0.00 61.00 62.81 1jgx s PRO 97 Cb -0.06 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.76 1jgx s PRO 97 CO 0.55 -2.26 1.10 0.00 0.04 0.00 0.00 177.00 176.43 1jgx s ALA 98 N -2.81 2.08 0.39 8.56 0.00 -1.26 -3.99 121.76 124.74 1jgx s ALA 98 Ca 0.64 0.26 0.15 0.00 0.00 0.00 0.00 51.96 53.00 1jgx s ALA 98 Cb -0.20 -3.28 0.99 0.00 0.00 0.00 0.00 23.12 20.64 1jgx s ALA 98 CO 0.58 -1.94 1.85 -1.35 0.00 0.00 0.00 175.76 174.89 1jgx h PRO 99 N -1.26 0.49 -0.45 0.00 0.11 -1.94 -2.95 132.00 126.00 1jgx h PRO 99 Ca -0.44 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.68 1jgx h PRO 99 Cb 1.24 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 1jgx h PRO 99 CO 0.51 0.32 -0.27 0.93 -0.21 0.00 0.00 178.00 179.28 1jgx h GLU 100 N 0.50 -0.01 0.00 1.05 3.07 -2.00 0.98 114.58 118.17 1jgx h GLU 100 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 1jgx h GLU 100 Cb 1.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 1jgx h GLU 100 CO -0.20 -0.01 0.00 0.66 -1.40 0.00 0.00 179.01 178.06 1jgx n TYR 101 N -4.04 0.00 0.00 4.33 4.01 -1.11 -4.89 117.16 115.46 1jgx n TYR 101 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1jgx n TYR 101 Cb 0.12 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 1jgx n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jgx n GLY 102 N -1.05 2.63 1.76 2.72 0.00 0.33 -0.59 105.19 110.99 1jgx n GLY 102 Ca 0.01 0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 1jgx n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jgx n LEU 103 N 0.00 5.26 -4.92 0.99 4.77 -1.23 -2.53 117.00 119.35 1jgx n LEU 103 Ca 0.00 -2.72 -0.27 0.00 -0.03 0.00 0.00 56.01 52.99 1jgx n LEU 103 Cb 0.00 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 40.37 1jgx n LEU 103 CO 0.00 0.68 0.14 -0.94 -1.33 0.00 0.00 177.39 175.94 1jgx s SER 104 N -0.71 6.39 0.00 -1.43 1.04 0.24 -4.96 113.70 114.28 1jgx s SER 104 Ca 0.45 0.56 0.26 0.00 0.48 0.00 0.00 55.95 57.70 1jgx s SER 104 Cb 0.36 -2.08 0.79 0.00 0.10 0.00 0.00 66.02 65.20 1jgx s SER 104 CO 0.12 -0.17 1.60 0.49 0.98 0.00 0.00 173.24 176.26 1jgx n PHE 105 N -1.03 0.07 -0.01 5.02 3.01 -1.26 -4.38 117.46 118.87 1jgx n PHE 105 Ca -0.03 -0.03 -0.09 0.00 1.01 0.00 0.00 57.45 58.30 1jgx n PHE 105 Cb 0.54 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.99 1jgx n PHE 105 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jgx h ALA 106 N 4.37 -0.19 -0.59 4.37 0.00 -1.92 -3.45 119.26 121.84 1jgx h ALA 106 Ca 0.00 0.05 -0.40 0.00 0.00 0.00 0.00 54.91 54.56 1jgx h ALA 106 Cb 0.62 0.48 0.06 0.00 0.00 0.00 0.00 17.79 18.95 1jgx h ALA 106 CO 0.00 -0.69 -0.26 0.00 0.00 0.00 0.00 179.25 178.29 1jgx n ALA 107 N -2.75 -2.14 -1.25 0.00 0.00 -1.26 -4.92 120.51 108.18 1jgx n ALA 107 Ca -0.02 0.27 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 1jgx n ALA 107 Cb 0.28 -0.96 0.13 0.00 0.00 0.00 0.00 19.45 18.90 1jgx n ALA 107 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jgx s PRO 108 N -0.51 1.42 0.05 0.00 0.04 -1.26 -4.03 135.00 130.71 1jgx s PRO 108 Ca 0.40 0.82 -0.15 0.00 0.04 0.00 0.00 61.00 62.11 1jgx s PRO 108 Cb -0.58 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.08 1jgx s PRO 108 CO 0.33 -2.13 1.24 -0.07 0.04 0.00 0.00 177.00 176.41 1jgx h LEU 109 N -1.47 -0.73 -0.64 -3.56 3.38 -1.91 0.20 115.31 110.58 1jgx h LEU 109 Ca -0.49 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1jgx h LEU 109 Cb 1.28 0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1jgx h LEU 109 CO 0.55 -0.22 0.00 0.29 0.09 0.00 0.00 178.44 179.15 1jgx n LYS 110 N -3.79 0.11 -2.78 1.13 5.02 -1.26 -2.34 118.16 114.25 1jgx n LYS 110 Ca -0.03 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.16 1jgx n LYS 110 Cb 0.17 -1.04 0.05 0.00 -0.02 0.00 0.00 35.03 34.19 1jgx n LYS 110 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1jgx n GLU 111 N 0.11 1.11 0.00 1.97 1.02 0.00 -4.95 120.64 119.89 1jgx n GLU 111 Ca 0.00 -2.76 0.00 0.00 -0.02 0.00 0.00 57.16 54.38 1jgx n GLU 111 Cb 0.02 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 1jgx n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jgx n GLY 112 N -0.08 2.06 0.15 0.62 0.00 -1.12 -4.27 105.19 102.55 1jgx n GLY 112 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1jgx n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jgx h GLY 113 N 0.00 0.47 1.36 -0.02 0.00 -0.47 -0.11 103.07 104.31 1jgx h GLY 113 Ca 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1jgx h GLY 113 CO 0.00 0.27 0.17 -2.00 0.00 0.00 0.00 176.54 174.98 1jgx h LEU 114 N 0.29 0.75 -0.60 3.11 5.85 -1.65 -1.70 115.31 121.35 1jgx h LEU 114 Ca 0.09 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1jgx h LEU 114 Cb 0.27 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1jgx h LEU 114 CO -0.00 0.71 0.31 -0.25 -0.34 0.00 0.00 178.44 178.87 1jgx h TRP 115 N 0.79 0.84 -0.73 1.25 7.01 -1.73 -2.17 115.95 121.22 1jgx h TRP 115 Ca 0.18 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.17 1jgx h TRP 115 Cb 0.23 -0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 26.99 1jgx h TRP 115 CO 0.01 0.63 0.48 -0.07 -2.79 0.00 0.00 178.44 176.70 1jgx h LEU 116 N 0.81 0.81 0.64 0.65 3.38 -0.22 -0.68 115.31 120.70 1jgx h LEU 116 Ca 0.21 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1jgx h LEU 116 Cb 0.08 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.65 1jgx h LEU 116 CO -0.03 0.58 -0.31 0.40 0.09 0.00 0.00 178.44 179.17 1jgx h ILE 117 N 0.96 0.31 -0.52 1.22 2.04 -1.07 -2.03 117.51 118.42 1jgx h ILE 117 Ca 0.28 -0.18 0.09 0.00 1.00 0.00 0.00 64.86 66.05 1jgx h ILE 117 Cb -0.07 0.37 -0.11 0.00 -0.74 0.00 0.00 36.82 36.28 1jgx h ILE 117 CO -0.08 0.02 -0.33 0.00 0.00 0.00 0.00 178.15 177.76 1jgx h ALA 118 N -0.70 -0.10 -0.37 1.87 0.00 -1.18 -0.54 119.26 118.24 1jgx h ALA 118 Ca -0.09 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1jgx h ALA 118 Cb 0.69 0.76 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 1jgx h ALA 118 CO 0.14 -0.70 -0.04 0.77 0.00 0.00 0.00 179.25 179.42 1jgx h SER 119 N -0.20 -0.24 -0.51 0.00 0.02 -1.09 0.56 113.55 112.10 1jgx h SER 119 Ca 0.21 0.10 0.10 0.00 -0.84 0.00 0.00 61.79 61.35 1jgx h SER 119 Cb 0.54 0.19 -0.08 0.00 0.14 0.00 0.00 62.40 63.19 1jgx h SER 119 CO -0.63 -0.08 0.00 0.15 -1.14 0.00 0.00 176.83 175.14 1jgx h PHE 120 N 0.05 -0.02 -0.39 3.45 3.57 -0.38 0.54 116.94 123.76 1jgx h PHE 120 Ca 0.18 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 1jgx h PHE 120 Cb 0.26 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1jgx h PHE 120 CO -0.29 -0.11 0.23 0.74 -2.23 0.00 0.00 178.31 176.64 1jgx h PHE 121 N 0.12 0.52 -0.68 0.41 0.04 -0.22 -2.25 116.94 114.88 1jgx h PHE 121 Ca 0.26 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.99 1jgx h PHE 121 Cb 0.39 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 1jgx h PHE 121 CO -0.31 0.38 0.28 1.98 -0.60 0.00 0.00 178.31 180.03 1jgx h MET 122 N 0.50 1.00 -0.82 1.51 4.05 0.35 -0.72 114.93 120.80 1jgx h MET 122 Ca 0.14 -0.16 0.04 0.00 -0.28 0.00 0.00 59.70 59.43 1jgx h MET 122 Cb 0.02 -0.17 -0.05 0.00 -0.80 0.00 0.00 31.60 30.60 1jgx h MET 122 CO -0.03 0.81 0.54 0.35 0.23 0.00 0.00 176.91 178.81 1jgx h PHE 123 N 0.98 0.98 0.09 1.39 3.04 0.49 -1.30 116.94 122.61 1jgx h PHE 123 Ca 0.23 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.20 1jgx h PHE 123 Cb 0.18 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 38.36 1jgx h PHE 123 CO 0.01 0.57 -0.04 0.28 -2.02 0.00 0.00 178.31 177.11 1jgx h VAL 124 N 1.01 1.15 -0.86 1.41 2.07 -0.92 -2.96 116.25 117.15 1jgx h VAL 124 Ca 0.33 -1.31 0.23 0.00 0.82 0.00 0.00 66.70 66.77 1jgx h VAL 124 Cb 0.05 1.93 -0.14 0.00 -1.52 0.00 0.00 31.29 31.61 1jgx h VAL 124 CO -0.10 0.30 0.17 0.00 0.02 0.00 0.00 177.57 177.96 1jgx h ALA 125 N -0.00 1.16 0.35 1.67 0.00 -0.74 -0.83 119.26 120.86 1jgx h ALA 125 Ca -0.01 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1jgx h ALA 125 Cb 0.58 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1jgx h ALA 125 CO 0.02 -0.47 -0.17 0.28 0.00 0.00 0.00 179.25 178.91 1jgx h VAL 126 N 0.16 0.00 -0.90 0.00 2.07 -1.32 -2.66 116.25 113.61 1jgx h VAL 126 Ca 0.53 -0.55 0.15 0.00 0.82 0.00 0.00 66.70 67.64 1jgx h VAL 126 Cb 1.05 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 1jgx h VAL 126 CO -0.69 0.00 0.58 -0.50 0.02 0.00 0.00 177.57 176.98 1jgx h TRP 127 N -1.02 0.82 -0.27 1.57 4.06 -1.34 0.24 115.95 120.00 1jgx h TRP 127 Ca -0.05 0.02 -0.05 0.00 2.06 0.00 0.00 58.89 60.87 1jgx h TRP 127 Cb 0.36 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.26 1jgx h TRP 127 CO 0.01 0.30 -0.04 0.66 -3.56 0.00 0.00 178.44 175.81 1jgx h SER 128 N 0.69 0.50 -0.08 -3.49 4.64 -1.27 -2.22 113.55 112.33 1jgx h SER 128 Ca 0.45 -0.35 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1jgx h SER 128 Cb 0.73 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1jgx h SER 128 CO -0.21 0.73 0.05 -0.25 -0.87 0.00 0.00 176.83 176.28 1jgx h TRP 129 N 0.27 0.12 0.09 4.77 2.91 -0.60 -0.75 115.95 122.75 1jgx h TRP 129 Ca 0.07 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.09 1jgx h TRP 129 Cb 0.50 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.11 1jgx h TRP 129 CO 0.05 0.08 -0.04 2.35 -1.03 0.00 0.00 178.44 179.85 1jgx h TRP 130 N 0.12 -0.11 -0.52 2.65 7.01 -0.20 -2.64 115.95 122.27 1jgx h TRP 130 Ca 0.03 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.10 1jgx h TRP 130 Cb 0.00 0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.07 1jgx h TRP 130 CO 0.00 0.16 0.35 0.78 -2.79 0.00 0.00 178.44 176.94 1jgx h GLY 131 N -0.37 0.55 0.97 2.65 0.00 -0.77 -1.53 103.07 104.58 1jgx h GLY 131 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1jgx h GLY 131 CO 0.02 0.13 0.22 -0.09 0.00 0.00 0.00 176.54 176.82 1jgx h ARG 132 N 0.44 0.55 0.00 4.80 2.43 -0.92 0.24 114.38 121.91 1jgx h ARG 132 Ca 0.23 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1jgx h ARG 132 Cb 0.35 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1jgx h ARG 132 CO -0.06 0.44 -0.24 1.79 -1.51 0.00 0.00 179.97 180.39 1jgx h THR 133 N 0.51 0.72 -0.02 0.20 1.35 -0.94 0.05 112.91 114.78 1jgx h THR 133 Ca 0.14 -1.01 -0.05 0.00 -0.55 0.00 0.00 66.41 64.94 1jgx h THR 133 Cb 0.05 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1jgx h THR 133 CO -0.02 0.23 -0.19 0.22 -0.25 0.00 0.00 175.52 175.51 1jgx h TYR 134 N 0.00 0.23 -0.15 4.73 5.03 -0.96 -3.24 116.97 122.61 1jgx h TYR 134 Ca -0.00 -0.11 -0.00 0.00 2.58 0.00 0.00 58.73 61.19 1jgx h TYR 134 Cb 0.61 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.85 1jgx h TYR 134 CO 0.00 0.86 0.08 -0.07 -1.32 0.00 0.00 178.16 177.72 1jgx h LEU 135 N -0.48 0.19 -2.06 2.82 4.07 -0.67 -2.59 115.31 116.59 1jgx h LEU 135 Ca -0.02 -0.08 0.11 0.00 0.08 0.00 0.00 57.88 57.97 1jgx h LEU 135 Cb 0.90 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.58 1jgx h LEU 135 CO 0.04 0.21 0.33 0.03 -1.08 0.00 0.00 178.44 177.96 1jgx h ARG 136 N 0.15 0.00 -0.01 1.13 2.47 -1.11 -0.76 114.38 116.25 1jgx h ARG 136 Ca 0.05 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.76 1jgx h ARG 136 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1jgx h ARG 136 CO -0.01 0.00 -0.06 0.00 0.56 0.00 0.00 179.97 180.46 1jgx h ALA 137 N 1.70 0.02 -1.00 0.04 0.00 -1.49 -3.20 119.26 115.32 1jgx h ALA 137 Ca 0.18 -0.37 0.11 0.00 0.00 0.00 0.00 54.91 54.83 1jgx h ALA 137 Cb 0.83 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 1jgx h ALA 137 CO -0.00 -0.09 0.64 0.37 0.00 0.00 0.00 179.25 180.16 1jgx h GLN 138 N -0.60 1.00 -0.85 0.00 4.15 -0.85 -0.08 115.11 117.88 1jgx h GLN 138 Ca -0.01 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.37 1jgx h GLN 138 Cb 0.75 -0.22 -0.05 0.00 0.21 0.00 0.00 27.48 28.17 1jgx h GLN 138 CO 0.01 0.66 0.55 0.00 -1.93 0.00 0.00 178.83 178.13 1jgx h ALA 139 N 1.53 1.09 -0.01 3.38 0.00 -1.38 -2.16 119.26 121.70 1jgx h ALA 139 Ca 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1jgx h ALA 139 Cb 0.44 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1jgx h ALA 139 CO -0.25 0.44 -0.05 1.28 0.00 0.00 0.00 179.25 180.67 1jgx n LEU 140 N -4.52 1.17 -0.37 0.00 4.77 -0.48 -1.80 117.00 115.77 1jgx n LEU 140 Ca 0.09 -0.36 -0.05 0.00 -0.03 0.00 0.00 56.01 55.66 1jgx n LEU 140 Cb 0.04 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1jgx n LEU 140 CO 0.35 0.20 -0.05 0.61 -1.33 0.00 0.00 177.39 177.18 1jgx n GLY 141 N 1.19 0.74 3.94 -0.72 0.00 -0.17 -4.98 105.19 105.19 1jgx n GLY 141 Ca 0.18 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 1jgx n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jgx s MET 142 N -1.97 2.64 1.06 1.61 -1.94 -0.95 -5.00 119.30 114.74 1jgx s MET 142 Ca 0.00 -0.31 -0.12 0.00 -1.71 0.00 0.00 55.69 53.55 1jgx s MET 142 Cb 0.00 -2.32 0.23 0.00 2.01 0.00 0.00 34.83 34.74 1jgx s MET 142 CO 0.00 -0.81 1.06 0.20 -0.01 0.00 0.00 175.02 175.46 1jgx s GLY 143 N -4.38 1.58 -0.27 -0.03 0.00 -1.26 -4.52 107.32 98.43 1jgx s GLY 143 Ca 0.56 -0.09 0.09 0.00 0.00 0.00 0.00 44.72 45.28 1jgx s GLY 143 CO 0.43 0.54 1.66 0.28 0.00 0.00 0.00 173.10 176.01 1jgx n LYS 144 N -4.53 3.63 -0.19 2.90 4.76 -1.26 -4.63 118.16 118.83 1jgx n LYS 144 Ca 0.05 -2.70 -0.00 0.00 -2.87 0.00 0.00 58.31 52.79 1jgx n LYS 144 Cb 0.55 -2.12 0.08 0.00 -1.84 0.00 0.00 35.03 31.70 1jgx n LYS 144 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1jgx h HIS 145 N 2.60 -0.12 -1.01 2.13 3.86 -1.98 -1.20 115.15 119.43 1jgx h HIS 145 Ca 0.19 0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.47 1jgx h HIS 145 Cb 2.08 0.15 -0.06 0.00 1.06 0.00 0.00 27.41 30.64 1jgx h HIS 145 CO 1.10 -0.19 0.66 1.15 0.86 0.00 0.00 177.93 181.52 1jgx h THR 146 N 0.08 1.20 -0.35 2.45 2.02 -1.93 -1.44 112.91 114.95 1jgx h THR 146 Ca 0.30 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1jgx h THR 146 Cb 0.48 -0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 1jgx h THR 146 CO -0.54 0.24 0.13 0.00 0.37 0.00 0.00 175.52 175.72 1jgx h ALA 147 N 1.40 0.45 0.21 6.16 0.00 -1.50 -1.60 119.26 124.38 1jgx h ALA 147 Ca 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1jgx h ALA 147 Cb -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1jgx h ALA 147 CO -0.11 0.06 -0.10 -1.49 0.00 0.00 0.00 179.25 177.61 1jgx h TRP 148 N 0.41 -0.26 -0.89 0.00 -0.00 -1.08 -2.22 115.95 111.90 1jgx h TRP 148 Ca 0.11 -0.01 0.16 0.00 -0.00 0.00 0.00 58.89 59.16 1jgx h TRP 148 Cb 0.21 0.09 -0.10 0.00 -0.00 0.00 0.00 29.16 29.35 1jgx h TRP 148 CO 0.00 -0.02 0.48 0.00 -0.00 0.00 0.00 178.44 178.90 1jgx h ALA 149 N 0.26 1.39 0.00 1.49 0.00 -1.24 0.25 119.26 121.42 1jgx h ALA 149 Ca -0.03 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1jgx h ALA 149 Cb 0.36 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1jgx h ALA 149 CO 0.05 -0.09 -0.22 0.35 0.00 0.00 0.00 179.25 179.34 1jgx h PHE 150 N 0.65 0.00 -0.55 0.00 3.57 -1.15 -1.74 116.94 117.72 1jgx h PHE 150 Ca 0.50 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.95 1jgx h PHE 150 Cb 0.74 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 1jgx h PHE 150 CO -0.07 0.22 0.16 1.25 -2.23 0.00 0.00 178.31 177.63 1jgx h LEU 151 N 0.00 0.77 -0.31 0.59 5.85 0.14 -1.32 115.31 121.02 1jgx h LEU 151 Ca -0.00 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1jgx h LEU 151 Cb 0.41 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1jgx h LEU 151 CO 0.03 0.74 0.13 -1.28 -0.34 0.00 0.00 178.44 177.71 1jgx h SER 152 N 0.81 0.16 -0.31 1.25 0.87 -1.05 0.34 113.55 115.62 1jgx h SER 152 Ca 0.18 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 1jgx h SER 152 Cb 0.26 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1jgx h SER 152 CO -0.01 0.13 -0.05 0.00 -0.53 0.00 0.00 176.83 176.38 1jgx h ALA 153 N 1.18 1.15 -0.63 6.23 0.00 -1.48 -2.77 119.26 122.94 1jgx h ALA 153 Ca 0.13 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1jgx h ALA 153 Cb 0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1jgx h ALA 153 CO -0.12 0.54 0.08 0.82 0.00 0.00 0.00 179.25 180.57 1jgx h ILE 154 N 0.64 1.26 -0.55 0.00 2.04 -0.04 -2.97 117.51 117.89 1jgx h ILE 154 Ca 0.12 -1.04 0.11 0.00 1.00 0.00 0.00 64.86 65.05 1jgx h ILE 154 Cb 0.47 0.69 -0.09 0.00 -0.74 0.00 0.00 36.82 37.14 1jgx h ILE 154 CO 0.02 0.39 -0.02 -0.25 0.00 0.00 0.00 178.15 178.29 1jgx h TRP 155 N 0.98 -0.07 -0.06 1.37 -0.00 -0.07 0.53 115.95 118.62 1jgx h TRP 155 Ca 0.19 0.04 -0.01 0.00 -0.00 0.00 0.00 58.89 59.12 1jgx h TRP 155 Cb 0.45 0.11 -0.00 0.00 -0.00 0.00 0.00 29.16 29.73 1jgx h TRP 155 CO 0.03 -0.15 0.01 1.25 -0.00 0.00 0.00 178.44 179.59 1jgx h LEU 156 N 0.10 0.10 -0.44 0.65 5.85 -1.56 -0.90 115.31 119.11 1jgx h LEU 156 Ca 0.28 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.83 1jgx h LEU 156 Cb 0.44 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 1jgx h LEU 156 CO -0.48 0.32 0.05 -0.25 -0.34 0.00 0.00 178.44 177.75 1jgx h TRP 157 N -0.13 0.07 -0.63 1.25 7.01 -1.24 -0.10 115.95 122.18 1jgx h TRP 157 Ca 0.02 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.05 1jgx h TRP 157 Cb 0.27 0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.33 1jgx h TRP 157 CO 0.01 -0.04 0.39 0.52 -2.79 0.00 0.00 178.44 176.53 1jgx h MET 158 N 0.17 0.85 -0.37 2.65 2.86 0.22 -2.85 114.93 118.47 1jgx h MET 158 Ca 0.22 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1jgx h MET 158 Cb 0.30 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1jgx h MET 158 CO -0.32 0.60 0.12 0.28 1.06 0.00 0.00 176.91 178.65 1jgx h VAL 159 N 0.85 1.21 -0.16 -2.22 2.07 -0.52 -1.56 116.25 115.92 1jgx h VAL 159 Ca 0.23 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.10 1jgx h VAL 159 Cb -0.04 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1jgx h VAL 159 CO -0.04 0.23 -0.04 -0.07 0.02 0.00 0.00 177.57 177.67 1jgx h LEU 160 N 0.45 -0.15 -2.16 2.57 3.38 -0.81 -1.93 115.31 116.65 1jgx h LEU 160 Ca 0.12 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1jgx h LEU 160 Cb 0.24 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1jgx h LEU 160 CO -0.00 -0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.08 1jgx n GLY 161 N -1.18 1.20 0.99 0.83 0.00 -1.10 -4.34 105.19 101.58 1jgx n GLY 161 Ca -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1jgx n GLY 161 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1jgx n PHE 162 N 0.43 0.00 0.14 1.61 7.35 -0.75 -4.78 117.46 121.46 1jgx n PHE 162 Ca 0.08 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.64 1jgx n PHE 162 Cb 0.32 0.16 -0.07 0.00 0.35 0.00 0.00 39.48 40.24 1jgx n PHE 162 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1jgx h ILE 163 N 0.00 0.00 -0.10 -2.13 2.04 -1.41 -1.34 117.51 114.58 1jgx h ILE 163 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1jgx h ILE 163 Cb 0.00 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.02 1jgx h ILE 163 CO 0.00 0.00 -0.26 -0.09 0.00 0.00 0.00 178.15 177.80 1jgx h ARG 164 N -0.63 -0.33 -0.86 2.37 2.43 -1.59 -0.78 114.38 114.99 1jgx h ARG 164 Ca -0.03 0.02 0.22 0.00 -0.81 0.00 0.00 59.98 59.39 1jgx h ARG 164 Cb 0.58 0.07 -0.14 0.00 -0.42 0.00 0.00 29.97 30.06 1jgx h ARG 164 CO -0.12 -0.22 0.16 -1.35 -1.51 0.00 0.00 179.97 176.93 1jgx h PRO 165 N -0.34 0.16 0.70 0.20 0.11 -1.73 0.23 132.00 131.33 1jgx h PRO 165 Ca 0.09 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 1jgx h PRO 165 Cb 0.48 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.56 1jgx h PRO 165 CO -0.30 0.10 -0.34 0.82 -0.21 0.00 0.00 178.00 178.08 1jgx h ILE 166 N 0.16 0.00 -1.10 4.15 2.04 -0.23 -1.70 117.51 120.84 1jgx h ILE 166 Ca 0.52 -0.21 0.30 0.00 1.00 0.00 0.00 64.86 66.47 1jgx h ILE 166 Cb 1.04 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.03 1jgx h ILE 166 CO -0.69 0.00 0.73 -0.07 0.00 0.00 0.00 178.15 178.12 1jgx h LEU 167 N -1.16 0.33 -0.61 1.44 3.38 -0.50 0.26 115.31 118.46 1jgx h LEU 167 Ca -0.10 0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1jgx h LEU 167 Cb 0.72 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1jgx h LEU 167 CO 0.16 0.04 -0.70 0.24 0.09 0.00 0.00 178.44 178.27 1jgx h MET 168 N 0.27 0.01 0.00 1.13 2.86 -0.43 -3.48 114.93 115.29 1jgx h MET 168 Ca 0.61 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.24 1jgx h MET 168 Cb 1.79 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.45 1jgx h MET 168 CO -0.25 0.70 0.00 0.41 1.06 0.00 0.00 176.91 178.83 1jgx n GLY 169 N 0.47 0.87 3.55 8.32 0.00 0.91 -5.09 105.19 114.22 1jgx n GLY 169 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1jgx n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jgx s SER 170 N -1.63 -0.56 0.00 1.61 1.04 -0.72 -3.51 113.70 109.93 1jgx s SER 170 Ca 0.00 0.64 0.16 0.00 0.48 0.00 0.00 55.95 57.24 1jgx s SER 170 Cb 0.00 0.50 0.75 0.00 0.10 0.00 0.00 66.02 67.37 1jgx s SER 170 CO 0.00 -0.49 1.51 0.79 0.98 0.00 0.00 173.24 176.03 1jgx n TRP 171 N 0.95 0.00 -0.09 5.02 5.03 -1.05 -2.62 117.44 124.68 1jgx n TRP 171 Ca -0.16 0.00 0.06 0.00 3.03 0.00 0.00 57.50 60.43 1jgx n TRP 171 Cb 0.57 -0.42 0.40 0.00 -1.03 0.00 0.00 31.31 30.83 1jgx n TRP 171 CO 0.00 0.00 0.00 1.03 -0.03 0.00 0.00 177.69 178.69 1jgx h SER 172 N 0.00 0.55 0.54 -0.99 0.87 -1.81 -2.12 113.55 110.60 1jgx h SER 172 Ca 0.00 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1jgx h SER 172 Cb 0.23 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1jgx h SER 172 CO 0.00 0.37 -0.17 -0.33 -0.53 0.00 0.00 176.83 176.18 1jgx h GLU 173 N 0.63 0.00 -7.18 2.24 4.39 -1.83 -3.46 114.58 109.36 1jgx h GLU 173 Ca 0.23 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.47 1jgx h GLU 173 Cb 0.13 0.00 0.21 0.00 -0.10 0.00 0.00 28.75 28.99 1jgx h GLU 173 CO -0.06 0.17 0.07 0.00 -1.16 0.00 0.00 179.01 178.02 1jgx s ALA 174 N -4.01 0.05 0.06 3.43 0.00 -0.80 -4.91 121.76 115.58 1jgx s ALA 174 Ca -0.02 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.73 1jgx s ALA 174 Cb 0.12 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.89 1jgx s ALA 174 CO 0.61 -3.54 0.78 0.08 0.00 0.00 0.00 175.76 173.68 1jgx s VAL 175 N -2.53 4.68 0.91 0.00 1.01 -1.26 -4.85 120.40 118.37 1jgx s VAL 175 Ca 0.68 1.67 -0.12 0.00 0.00 0.00 0.00 61.98 64.20 1jgx s VAL 175 Cb -0.24 -4.13 0.14 0.00 0.00 0.00 0.00 36.38 32.15 1jgx s VAL 175 CO 0.63 0.38 1.14 -2.16 0.00 0.00 0.00 175.10 175.08 1jgx s PRO 176 N -0.15 1.12 -0.55 2.72 0.04 -1.26 -4.83 135.00 132.08 1jgx s PRO 176 Ca 0.39 0.29 -0.10 0.00 0.04 0.00 0.00 61.00 61.62 1jgx s PRO 176 Cb -0.21 -1.84 0.14 0.00 0.04 0.00 0.00 34.50 32.64 1jgx s PRO 176 CO 0.24 -2.21 0.44 0.71 0.04 0.00 0.00 177.00 176.22 1jgx s TYR 177 N -3.27 3.45 -0.08 0.56 2.02 -0.95 -4.70 117.35 114.37 1jgx s TYR 177 Ca 0.64 -1.92 -0.30 0.00 -0.37 0.00 0.00 57.07 55.12 1jgx s TYR 177 Cb -0.15 -3.56 0.11 0.00 -0.40 0.00 0.00 41.96 37.97 1jgx s TYR 177 CO 0.53 -0.98 0.94 0.20 -1.57 0.00 0.00 175.55 174.68 1jgx s GLY 178 N 2.48 -0.38 0.00 0.71 0.00 -1.26 -2.18 107.32 106.69 1jgx s GLY 178 Ca 0.09 1.50 0.00 0.00 0.00 0.00 0.00 44.72 46.30 1jgx s GLY 178 CO -0.02 0.67 0.24 1.39 0.00 0.00 0.00 173.10 175.39 1jgx n ILE 179 N 0.24 0.00 -0.23 0.90 2.08 -1.26 -2.26 119.36 118.83 1jgx n ILE 179 Ca -0.09 0.51 0.01 0.00 0.56 0.00 0.00 62.75 63.74 1jgx n ILE 179 Cb 0.60 -1.06 0.24 0.00 -0.75 0.00 0.00 39.64 38.67 1jgx n ILE 179 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 1jgx h PHE 180 N 0.00 0.97 -1.00 1.39 0.04 -1.74 -2.91 116.94 113.69 1jgx h PHE 180 Ca 0.00 0.02 0.19 0.00 2.80 0.00 0.00 57.97 60.98 1jgx h PHE 180 Cb 0.00 -0.33 -0.10 0.00 2.20 0.00 0.00 35.95 37.72 1jgx h PHE 180 CO 0.00 0.60 0.61 1.03 -0.60 0.00 0.00 178.31 179.95 1jgx h SER 181 N 1.03 0.76 1.02 2.17 0.87 -1.72 -0.97 113.55 116.71 1jgx h SER 181 Ca 0.29 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 1jgx h SER 181 Cb -0.08 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1jgx h SER 181 CO -0.07 0.27 -0.42 0.00 -0.53 0.00 0.00 176.83 176.08 1jgx n HIS 182 N -4.74 0.60 -0.03 2.24 1.44 -0.96 -3.31 115.22 110.47 1jgx n HIS 182 Ca 0.23 0.18 -0.13 0.00 -2.01 0.00 0.00 57.72 55.99 1jgx n HIS 182 Cb 0.58 -0.70 -0.08 0.00 0.12 0.00 0.00 29.99 29.91 1jgx n HIS 182 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1jgx h LEU 183 N 0.00 0.18 -0.26 2.39 3.38 -1.20 -2.92 115.31 116.89 1jgx h LEU 183 Ca 0.00 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.60 1jgx h LEU 183 Cb 0.72 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1jgx h LEU 183 CO 0.00 0.57 -0.09 0.44 0.09 0.00 0.00 178.44 179.45 1jgx h ASP 184 N -0.21 -0.33 -0.87 -0.43 3.32 -1.51 -1.17 116.42 115.23 1jgx h ASP 184 Ca 0.02 0.09 0.21 0.00 0.02 0.00 0.00 57.03 57.36 1jgx h ASP 184 Cb 0.51 0.19 -0.12 0.00 0.22 0.00 0.00 39.33 40.13 1jgx h ASP 184 CO 0.01 -0.12 0.34 -0.25 -1.72 0.00 0.00 179.24 177.50 1jgx h TRP 185 N -0.05 0.55 0.15 4.55 7.01 -1.54 0.55 115.95 127.17 1jgx h TRP 185 Ca 0.13 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 1jgx h TRP 185 Cb 0.24 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.20 1jgx h TRP 185 CO -0.28 -0.07 -0.07 1.15 -2.79 0.00 0.00 178.44 176.38 1jgx h THR 186 N 0.36 0.93 -0.53 2.65 2.02 -1.06 0.38 112.91 117.66 1jgx h THR 186 Ca 0.53 -0.34 0.04 0.00 0.77 0.00 0.00 66.41 67.41 1jgx h THR 186 Cb 0.99 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 68.51 1jgx h THR 186 CO -0.54 0.08 0.29 -1.13 0.37 0.00 0.00 175.52 174.59 1jgx h ASN 187 N -0.36 0.43 0.19 4.18 -1.24 0.07 -2.80 115.58 116.05 1jgx h ASN 187 Ca -0.02 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1jgx h ASN 187 Cb 0.29 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.27 1jgx h ASN 187 CO 0.03 0.30 -0.09 0.78 -1.29 0.00 0.00 177.43 177.16 1jgx h ASN 188 N 0.56 -0.22 -0.92 1.15 4.21 0.16 -2.80 115.58 117.72 1jgx h ASN 188 Ca 0.23 -0.09 0.26 0.00 1.21 0.00 0.00 56.30 57.92 1jgx h ASN 188 Cb 0.10 0.06 -0.15 0.00 -1.12 0.00 0.00 38.32 37.21 1jgx h ASN 188 CO -0.14 -0.05 0.32 0.15 -1.29 0.00 0.00 177.43 176.42 1jgx h PHE 189 N -0.38 0.50 0.42 1.19 3.04 -0.06 -0.41 116.94 121.23 1jgx h PHE 189 Ca -0.03 0.05 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 1jgx h PHE 189 Cb 0.29 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.74 1jgx h PHE 189 CO -0.03 -0.22 -0.20 1.03 -2.02 0.00 0.00 178.31 176.87 1jgx h SER 190 N 0.22 -0.48 -0.67 0.41 0.87 -1.30 -2.99 113.55 109.62 1jgx h SER 190 Ca 0.61 -0.03 0.10 0.00 -1.23 0.00 0.00 61.79 61.24 1jgx h SER 190 Cb 1.30 0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 63.31 1jgx h SER 190 CO -0.66 -0.27 0.28 -0.07 -0.53 0.00 0.00 176.83 175.58 1jgx h LEU 191 N -0.65 0.32 -1.52 2.23 3.38 -0.86 0.09 115.31 118.31 1jgx h LEU 191 Ca -0.06 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jgx h LEU 191 Cb 0.48 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1jgx h LEU 191 CO 0.09 0.17 0.00 0.58 0.09 0.00 0.00 178.44 179.38 1jgx h VAL 192 N 0.48 0.00 -0.40 1.22 2.07 -1.25 -2.97 116.25 115.40 1jgx h VAL 192 Ca 0.34 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1jgx h VAL 192 Cb 0.42 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1jgx h VAL 192 CO -0.31 0.00 0.00 1.41 0.02 0.00 0.00 177.57 178.69 1jgx n HIS 193 N -2.81 0.57 -1.04 1.57 8.25 -0.78 -4.85 115.22 116.13 1jgx n HIS 193 Ca 0.00 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.95 1jgx n HIS 193 Cb 0.23 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.30 1jgx n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jgx n GLY 194 N 0.65 1.12 2.18 -1.41 0.00 -1.11 0.14 105.19 106.76 1jgx n GLY 194 Ca 0.14 -0.37 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 1jgx n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jgx n ASN 195 N 0.82 -2.68 0.31 1.61 5.15 -0.05 -3.49 115.26 116.93 1jgx n ASN 195 Ca 0.00 1.06 0.15 0.00 -0.60 0.00 0.00 54.58 55.20 1jgx n ASN 195 Cb 0.23 -4.02 0.82 0.00 -0.53 0.00 0.00 39.78 36.28 1jgx n ASN 195 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1jgx h LEU 196 N 2.94 0.00 -2.24 1.20 4.07 -1.87 -2.31 115.31 117.10 1jgx h LEU 196 Ca -0.29 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.69 1jgx h LEU 196 Cb 0.66 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.40 1jgx h LEU 196 CO 0.00 0.00 0.26 -0.26 -1.08 0.00 0.00 178.44 177.36 1jgx h PHE 197 N 0.00 0.00 0.00 1.13 0.04 -1.96 0.41 116.94 116.56 1jgx h PHE 197 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1jgx h PHE 197 Cb 0.56 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.71 1jgx h PHE 197 CO 0.00 0.00 -0.40 0.66 -0.60 0.00 0.00 178.31 177.97 1jgx n TYR 198 N -3.21 0.59 -2.35 -0.55 4.01 -0.87 -4.77 117.16 110.00 1jgx n TYR 198 Ca -0.00 0.17 -0.43 0.00 -0.16 0.00 0.00 57.90 57.48 1jgx n TYR 198 Cb 0.34 -0.70 -0.02 0.00 -0.31 0.00 0.00 39.34 38.65 1jgx n TYR 198 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1jgx s ASN 199 N -4.14 6.61 0.41 7.72 3.84 0.14 -4.82 114.94 124.70 1jgx s ASN 199 Ca 0.08 1.31 0.09 0.00 0.21 0.00 0.00 52.86 54.55 1jgx s ASN 199 Cb 0.14 -2.54 0.90 0.00 -0.55 0.00 0.00 41.25 39.20 1jgx s ASN 199 CO 0.67 -1.11 2.02 1.55 -2.79 0.00 0.00 177.10 177.43 1jgx h PRO 200 N 9.59 0.52 -0.11 0.43 0.13 -1.86 -2.22 132.00 138.49 1jgx h PRO 200 Ca -0.28 -0.03 -0.16 0.00 -0.87 0.00 0.00 66.00 64.66 1jgx h PRO 200 Cb 1.11 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1jgx h PRO 200 CO 1.02 0.34 -0.63 0.74 -0.23 0.00 0.00 178.00 179.25 1jgx h PHE 201 N 0.54 0.52 -0.50 1.56 0.04 -1.91 -1.79 116.94 115.39 1jgx h PHE 201 Ca 0.22 -0.20 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1jgx h PHE 201 Cb 0.20 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 1jgx h PHE 201 CO -0.00 0.92 0.31 1.25 -0.60 0.00 0.00 178.31 180.19 1jgx h HIS 202 N 0.29 0.66 -0.21 -0.55 2.76 -1.69 0.44 115.15 116.85 1jgx h HIS 202 Ca -0.01 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.08 1jgx h HIS 202 Cb 1.18 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 1jgx h HIS 202 CO 0.04 0.45 -0.22 0.78 -1.30 0.00 0.00 177.93 177.68 1jgx h GLY 203 N 0.68 0.42 0.97 5.26 0.00 -1.36 -1.84 103.07 107.19 1jgx h GLY 203 Ca 0.18 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 1jgx h GLY 203 CO -0.03 0.29 -0.33 -2.00 0.00 0.00 0.00 176.54 174.47 1jgx h LEU 204 N 0.35 0.74 0.01 3.11 5.85 -0.42 -2.54 115.31 122.41 1jgx h LEU 204 Ca 0.06 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 58.30 1jgx h LEU 204 Cb 0.59 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1jgx h LEU 204 CO 0.04 1.09 -0.51 -1.28 -0.34 0.00 0.00 178.44 177.44 1jgx h SER 205 N 0.41 -1.58 -0.91 1.25 0.87 0.18 -1.05 113.55 112.72 1jgx h SER 205 Ca 0.03 0.18 0.20 0.00 -1.23 0.00 0.00 61.79 60.97 1jgx h SER 205 Cb 0.91 0.60 -0.07 0.00 -0.44 0.00 0.00 62.40 63.40 1jgx h SER 205 CO 0.08 -0.52 0.60 0.40 -0.53 0.00 0.00 176.83 176.86 1jgx h ILE 206 N -0.67 0.68 -0.74 2.23 2.04 -1.30 0.70 117.51 120.46 1jgx h ILE 206 Ca 0.02 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.74 1jgx h ILE 206 Cb 0.72 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1jgx h ILE 206 CO -0.34 0.08 0.49 0.00 0.00 0.00 0.00 178.15 178.37 1jgx h ALA 207 N 1.61 0.94 0.00 1.87 0.00 -0.75 -1.39 119.26 121.54 1jgx h ALA 207 Ca 0.47 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 55.14 1jgx h ALA 207 Cb 1.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1jgx h ALA 207 CO -0.19 0.35 -0.88 0.74 0.00 0.00 0.00 179.25 179.28 1jgx h PHE 208 N 1.00 0.27 -0.59 0.00 0.04 -0.58 -0.50 116.94 116.58 1jgx h PHE 208 Ca 0.27 -0.15 -0.05 0.00 2.80 0.00 0.00 57.97 60.85 1jgx h PHE 208 Cb -0.11 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 1jgx h PHE 208 CO -0.02 0.97 0.18 1.25 -0.60 0.00 0.00 178.31 180.09 1jgx h LEU 209 N 0.10 0.81 -0.01 1.54 5.85 -0.68 0.07 115.31 123.00 1jgx h LEU 209 Ca -0.04 -0.13 -0.26 0.00 0.84 0.00 0.00 57.88 58.29 1jgx h LEU 209 Cb 1.51 -0.21 0.02 0.00 0.37 0.00 0.00 40.66 42.35 1jgx h LEU 209 CO 0.13 0.77 -1.01 1.88 -0.34 0.00 0.00 178.44 179.87 1jgx h TYR 210 N 0.86 1.03 0.00 1.25 0.05 -1.20 -3.18 116.97 115.78 1jgx h TYR 210 Ca 0.19 -0.56 -0.03 0.00 0.05 0.00 0.00 58.73 58.39 1jgx h TYR 210 Cb 0.25 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 37.87 1jgx h TYR 210 CO 0.02 1.39 -0.13 0.78 -1.05 0.00 0.00 178.16 179.17 1jgx h GLY 211 N 0.38 0.00 0.88 3.88 0.00 -0.63 0.14 103.07 107.71 1jgx h GLY 211 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 1jgx h GLY 211 CO 0.20 0.00 -0.17 1.76 0.00 0.00 0.00 176.54 178.33 1jgx h SER 212 N 0.00 0.58 0.20 0.19 0.02 -1.01 0.46 113.55 114.00 1jgx h SER 212 Ca -0.00 -0.44 -0.09 0.00 -0.84 0.00 0.00 61.79 60.42 1jgx h SER 212 Cb 0.28 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1jgx h SER 212 CO 0.02 0.90 -0.34 0.00 -1.14 0.00 0.00 176.83 176.26 1jgx h ALA 213 N 0.71 1.22 0.19 3.77 0.00 -1.31 -1.03 119.26 122.81 1jgx h ALA 213 Ca 0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1jgx h ALA 213 Cb 0.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1jgx h ALA 213 CO 0.05 0.53 -0.09 1.25 0.00 0.00 0.00 179.25 180.98 1jgx h LEU 214 N 0.19 -0.22 -0.45 0.00 5.85 -0.33 -2.61 115.31 117.73 1jgx h LEU 214 Ca 0.02 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 1jgx h LEU 214 Cb 0.70 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1jgx h LEU 214 CO 0.05 0.24 0.02 0.25 -0.34 0.00 0.00 178.44 178.66 1jgx h LEU 215 N -0.75 0.76 -0.86 2.25 5.85 -0.06 -0.88 115.31 121.61 1jgx h LEU 215 Ca -0.03 -0.29 -0.11 0.00 0.84 0.00 0.00 57.88 58.29 1jgx h LEU 215 Cb 0.51 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1jgx h LEU 215 CO 0.04 0.87 -0.32 0.15 -0.34 0.00 0.00 178.44 178.83 1jgx h PHE 216 N 0.63 0.52 -0.12 1.25 3.04 -1.31 0.63 116.94 121.58 1jgx h PHE 216 Ca 0.13 -0.13 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 1jgx h PHE 216 Cb 0.46 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 1jgx h PHE 216 CO 0.04 0.73 0.05 0.00 -2.02 0.00 0.00 178.31 177.11 1jgx h ALA 217 N 1.26 0.16 0.66 2.41 0.00 -1.29 0.00 119.26 122.46 1jgx h ALA 217 Ca 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1jgx h ALA 217 Cb 0.76 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1jgx h ALA 217 CO 0.06 -0.26 -0.32 0.52 0.00 0.00 0.00 179.25 179.25 1jgx h MET 218 N 0.05 -0.85 -0.14 0.00 2.86 -0.71 -2.41 114.93 113.73 1jgx h MET 218 Ca 0.04 0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 1jgx h MET 218 Cb 0.16 0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 1jgx h MET 218 CO -0.00 -0.57 -0.09 1.25 1.06 0.00 0.00 176.91 178.56 1jgx h HIS 219 N -0.89 -0.22 0.24 -0.22 6.17 0.32 0.22 115.15 120.76 1jgx h HIS 219 Ca -0.09 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.01 1jgx h HIS 219 Cb 0.68 0.12 -0.02 0.00 2.52 0.00 0.00 27.41 30.70 1jgx h HIS 219 CO -0.03 -0.14 -0.28 0.78 0.71 0.00 0.00 177.93 178.98 1jgx h GLY 220 N -0.09 -0.59 0.59 5.26 0.00 -1.03 -1.42 103.07 105.78 1jgx h GLY 220 Ca 0.08 0.32 0.09 0.00 0.00 0.00 0.00 47.33 47.82 1jgx h GLY 220 CO -0.19 -0.24 0.53 0.00 0.00 0.00 0.00 176.54 176.63 1jgx h ALA 221 N 0.08 1.25 0.60 3.60 0.00 -1.28 -1.16 119.26 122.34 1jgx h ALA 221 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jgx h ALA 221 Cb 0.53 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1jgx h ALA 221 CO -0.08 0.20 -0.49 1.15 0.00 0.00 0.00 179.25 180.03 1jgx h THR 222 N 0.91 0.04 -0.57 0.00 2.02 -0.49 -0.16 112.91 114.66 1jgx h THR 222 Ca 0.41 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.70 1jgx h THR 222 Cb 0.31 0.04 -0.08 0.00 -1.74 0.00 0.00 68.15 66.68 1jgx h THR 222 CO -0.22 0.00 0.11 0.40 0.37 0.00 0.00 175.52 176.18 1jgx h ILE 223 N -1.06 0.65 -0.71 3.11 1.08 -0.88 -0.01 117.51 119.70 1jgx h ILE 223 Ca -0.07 -0.08 -0.02 0.00 -0.39 0.00 0.00 64.86 64.30 1jgx h ILE 223 Cb 0.89 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 35.00 1jgx h ILE 223 CO -0.00 0.04 0.37 -0.07 -0.69 0.00 0.00 178.15 177.80 1jgx h LEU 224 N 0.24 0.88 -1.52 1.44 3.38 -1.01 -1.00 115.31 117.73 1jgx h LEU 224 Ca 0.30 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1jgx h LEU 224 Cb 0.44 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1jgx h LEU 224 CO -0.39 0.72 -0.25 0.00 0.09 0.00 0.00 178.44 178.61 1jgx h ALA 225 N 1.42 1.52 -0.32 1.53 0.00 0.87 -2.64 119.26 121.65 1jgx h ALA 225 Ca 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1jgx h ALA 225 Cb 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jgx h ALA 225 CO -0.04 0.31 0.01 1.33 0.00 0.00 0.00 179.25 180.86 1jgx n VAL 226 N -4.14 2.38 1.31 0.00 0.24 -0.70 -4.49 118.33 112.94 1jgx n VAL 226 Ca -0.02 -1.90 0.14 0.00 -2.04 0.00 0.00 64.34 60.52 1jgx n VAL 226 Cb 0.31 -0.27 0.70 0.00 -1.47 0.00 0.00 33.84 33.11 1jgx n VAL 226 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1jgx n SER 227 N -0.45 0.00 -0.05 -1.34 3.41 -0.43 -2.29 113.62 112.47 1jgx n SER 227 Ca 0.24 -0.07 0.15 0.00 -0.26 0.00 0.00 58.87 58.92 1jgx n SER 227 Cb 0.96 -0.30 0.87 0.00 -0.26 0.00 0.00 64.21 65.47 1jgx n SER 227 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1jgx n ARG 228 N -1.30 1.06 -0.23 4.33 1.85 -1.26 -1.59 116.66 119.53 1jgx n ARG 228 Ca 0.13 -0.09 0.06 0.00 -1.00 0.00 0.00 57.85 56.95 1jgx n ARG 228 Cb 0.23 -1.47 0.08 0.00 -1.05 0.00 0.00 32.46 30.25 1jgx n ARG 228 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1jgx n PHE 229 N -0.87 0.00 -3.49 2.89 3.72 -0.97 -5.00 117.46 113.75 1jgx n PHE 229 Ca 0.22 -0.61 -0.19 0.00 -0.05 0.00 0.00 57.45 56.83 1jgx n PHE 229 Cb 0.13 -0.11 0.07 0.00 -0.94 0.00 0.00 39.48 38.62 1jgx n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jgx n GLY 230 N -0.87 -0.55 0.11 1.37 0.00 -0.62 -4.46 105.19 100.17 1jgx n GLY 230 Ca 0.10 0.23 -0.02 0.00 0.00 0.00 0.00 46.02 46.33 1jgx n GLY 230 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jgx h GLY 231 N -1.72 0.00 1.91 -0.02 0.00 -1.67 -3.25 103.07 98.32 1jgx h GLY 231 Ca -0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1jgx h GLY 231 CO 0.50 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 175.20 1jgx n GLU 232 N -3.35 0.00 -1.69 4.80 0.00 -1.26 -3.14 120.64 116.00 1jgx n GLU 232 Ca 0.01 0.45 -0.37 0.00 0.00 0.00 0.00 57.16 57.25 1jgx n GLU 232 Cb 0.79 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.71 1jgx n GLU 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1jgx n ARG 233 N -1.46 4.01 0.01 3.44 1.74 -1.23 -4.80 116.66 118.37 1jgx n ARG 233 Ca 0.00 -2.85 -0.10 0.00 -0.77 0.00 0.00 57.85 54.12 1jgx n ARG 233 Cb 0.00 -2.61 -0.04 0.00 -1.02 0.00 0.00 32.46 28.79 1jgx n ARG 233 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1jgx h GLU 234 N 4.50 -0.37 -0.96 5.56 5.08 -1.87 -2.41 114.58 124.12 1jgx h GLU 234 Ca 0.71 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 59.26 1jgx h GLU 234 Cb 0.39 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.63 1jgx h GLU 234 CO 1.46 -0.25 0.56 -0.07 -1.00 0.00 0.00 179.01 179.71 1jgx h LEU 235 N -0.38 0.73 -0.52 1.33 3.38 -1.93 -0.97 115.31 116.94 1jgx h LEU 235 Ca 0.09 0.09 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 1jgx h LEU 235 Cb 0.53 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1jgx h LEU 235 CO -0.33 0.29 -0.73 -0.08 0.09 0.00 0.00 178.44 177.68 1jgx h GLU 236 N 0.76 0.00 0.00 1.13 4.57 -1.90 -2.45 114.58 116.68 1jgx h GLU 236 Ca 0.53 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.71 1jgx h GLU 236 Cb 0.76 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1jgx h GLU 236 CO -0.36 0.73 0.00 1.04 -1.18 0.00 0.00 179.01 179.24 1jgx n GLN 237 N -3.65 0.11 -0.01 1.92 1.13 -0.45 -0.91 117.38 115.51 1jgx n GLN 237 Ca -0.01 0.30 -0.20 0.00 -1.94 0.00 0.00 57.00 55.16 1jgx n GLN 237 Cb 0.71 -1.69 -0.13 0.00 0.11 0.00 0.00 30.24 29.24 1jgx n GLN 237 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1jgx h ILE 238 N 0.00 1.23 0.00 5.09 2.04 -0.87 -3.17 117.51 121.83 1jgx h ILE 238 Ca 0.00 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.48 1jgx h ILE 238 Cb 0.36 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 1jgx h ILE 238 CO 0.00 0.63 0.00 0.00 0.00 0.00 0.00 178.15 178.78 1jgx h ALA 239 N -0.08 1.00 -1.05 1.87 0.00 -1.30 -3.41 119.26 116.29 1jgx h ALA 239 Ca -0.23 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1jgx h ALA 239 Cb 1.54 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 19.15 1jgx h ALA 239 CO 0.03 0.00 -0.48 0.34 0.00 0.00 0.00 179.25 179.14 1jgx s ASP 240 N -5.88 -1.38 0.18 0.00 2.15 -0.09 -5.11 116.67 106.54 1jgx s ASP 240 Ca 0.06 -1.15 -0.33 0.00 0.43 0.00 0.00 52.55 51.56 1jgx s ASP 240 Cb 0.07 1.87 -0.15 0.00 -0.30 0.00 0.00 42.92 44.40 1jgx s ASP 240 CO 0.62 -0.13 1.20 -1.14 -0.17 0.00 0.00 175.17 175.55 1jgx n ARG 241 N 3.90 1.27 -3.50 4.34 0.63 -1.20 -4.44 116.66 117.66 1jgx n ARG 241 Ca 0.14 0.45 -0.17 0.00 -0.92 0.00 0.00 57.85 57.35 1jgx n ARG 241 Cb 0.56 -1.97 -0.04 0.00 0.45 0.00 0.00 32.46 31.46 1jgx n ARG 241 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jgx n GLY 242 N 2.04 3.68 0.25 5.14 0.00 -1.26 -5.02 105.19 110.03 1jgx n GLY 242 Ca 0.15 -2.15 0.08 0.00 0.00 0.00 0.00 46.02 44.10 1jgx n GLY 242 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jgx h THR 243 N 1.30 0.98 -0.85 2.61 2.02 -1.95 -1.93 112.91 115.09 1jgx h THR 243 Ca -0.22 -0.16 0.07 0.00 0.77 0.00 0.00 66.41 66.88 1jgx h THR 243 Cb 0.74 1.09 -0.07 0.00 -1.74 0.00 0.00 68.15 68.17 1jgx h THR 243 CO 0.35 0.04 0.51 0.00 0.37 0.00 0.00 175.52 176.80 1jgx h ALA 244 N 1.95 1.18 0.00 6.16 0.00 -1.87 0.10 119.26 126.79 1jgx h ALA 244 Ca -0.00 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1jgx h ALA 244 Cb 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1jgx h ALA 244 CO 0.01 0.21 -0.31 0.00 0.00 0.00 0.00 179.25 179.16 1jgx h ALA 245 N 1.42 0.80 0.14 0.00 0.00 -1.73 -2.84 119.26 117.06 1jgx h ALA 245 Ca 0.38 -0.28 -0.27 0.00 0.00 0.00 0.00 54.91 54.74 1jgx h ALA 245 Cb 0.25 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1jgx h ALA 245 CO -0.20 0.38 -1.34 0.93 0.00 0.00 0.00 179.25 179.02 1jgx h GLU 246 N 0.00 0.30 -0.38 0.00 5.08 -1.06 -2.93 114.58 115.60 1jgx h GLU 246 Ca -0.00 -0.51 -0.09 0.00 -1.00 0.00 0.00 59.36 57.75 1jgx h GLU 246 Cb 1.23 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1jgx h GLU 246 CO 0.04 1.25 -0.13 0.00 -1.00 0.00 0.00 179.01 179.17 1jgx h ARG 247 N -0.23 0.75 -0.85 2.33 3.08 -0.95 -0.69 114.38 117.82 1jgx h ARG 247 Ca -0.27 -0.31 0.11 0.00 0.07 0.00 0.00 59.98 59.58 1jgx h ARG 247 Cb 1.82 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 31.75 1jgx h ARG 247 CO 0.11 0.91 0.48 0.00 -1.07 0.00 0.00 179.97 180.40 1jgx h ALA 248 N 0.82 1.23 -0.11 0.04 0.00 -1.63 0.18 119.26 119.80 1jgx h ALA 248 Ca 0.09 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1jgx h ALA 248 Cb 0.66 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1jgx h ALA 248 CO 0.04 0.06 -0.22 0.00 0.00 0.00 0.00 179.25 179.13 1jgx h ALA 249 N 1.49 0.18 0.00 0.00 0.00 -1.30 -3.23 119.26 116.39 1jgx h ALA 249 Ca 0.42 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1jgx h ALA 249 Cb 0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1jgx h ALA 249 CO -0.28 0.14 -0.18 -0.07 0.00 0.00 0.00 179.25 178.86 1jgx h LEU 250 N -0.08 0.00 -0.06 0.00 3.38 -0.55 -1.18 115.31 116.82 1jgx h LEU 250 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jgx h LEU 250 Cb 0.81 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1jgx h LEU 250 CO 0.05 0.18 0.02 0.15 0.09 0.00 0.00 178.44 178.93 1jgx h PHE 251 N 0.00 0.09 0.00 1.13 3.04 -0.67 -2.04 116.94 118.48 1jgx h PHE 251 Ca -0.00 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.87 1jgx h PHE 251 Cb 0.47 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.95 1jgx h PHE 251 CO 0.00 0.22 -0.35 -1.49 -2.02 0.00 0.00 178.31 174.66 1jgx h TRP 252 N -0.07 0.00 -0.43 0.41 4.06 -1.58 -2.27 115.95 116.07 1jgx h TRP 252 Ca 0.02 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.84 1jgx h TRP 252 Cb 0.17 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.32 1jgx h TRP 252 CO -0.02 0.35 -0.23 -0.09 -3.56 0.00 0.00 178.44 174.89 1jgx h ARG 253 N 0.00 0.92 0.00 0.49 9.65 -1.09 -0.25 114.38 124.09 1jgx h ARG 253 Ca -0.00 -0.41 -0.04 0.00 -1.10 0.00 0.00 59.98 58.43 1jgx h ARG 253 Cb 1.05 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.60 1jgx h ARG 253 CO 0.05 1.07 -0.19 -1.49 2.80 0.00 0.00 179.97 182.20 1jgx h TRP 254 N 0.75 0.00 0.07 2.20 6.55 -1.30 0.29 115.95 124.50 1jgx h TRP 254 Ca 0.09 0.00 -0.22 0.00 0.95 0.00 0.00 58.89 59.71 1jgx h TRP 254 Cb 0.80 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.09 1jgx h TRP 254 CO 0.06 0.19 -1.17 1.15 -1.05 0.00 0.00 178.44 177.62 1jgx h THR 255 N 0.00 1.11 0.00 1.49 2.02 -1.23 -3.41 112.91 112.90 1jgx h THR 255 Ca -0.00 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.84 1jgx h THR 255 Cb 1.09 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 70.19 1jgx h THR 255 CO 0.02 0.59 -0.05 1.15 0.37 0.00 0.00 175.52 177.61 1jgx n MET 256 N -4.15 1.76 -2.03 6.66 0.00 -0.12 -5.00 117.12 114.24 1jgx n MET 256 Ca -0.25 -1.68 -0.12 0.00 0.00 0.00 0.00 57.70 55.66 1jgx n MET 256 Cb 0.78 -1.05 -0.02 0.00 0.00 0.00 0.00 33.22 32.93 1jgx n MET 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jgx n GLY 257 N -0.70 0.11 3.11 3.17 0.00 0.10 -4.93 105.19 106.05 1jgx n GLY 257 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1jgx n GLY 257 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jgx s PHE 258 N -2.35 0.03 0.28 1.61 5.99 -1.25 -4.95 117.98 117.34 1jgx s PHE 258 Ca 0.00 -0.10 -0.19 0.00 0.00 0.00 0.00 56.93 56.64 1jgx s PHE 258 Cb 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 43.02 43.04 1jgx s PHE 258 CO 0.00 -0.29 0.89 0.54 -0.00 0.00 0.00 175.22 176.37 1jgx s ASN 259 N -1.34 -0.03 0.19 6.13 2.20 -1.26 -3.25 114.94 117.58 1jgx s ASN 259 Ca -0.14 -0.86 0.02 0.00 -0.94 0.00 0.00 52.86 50.94 1jgx s ASN 259 Cb -0.07 0.68 -0.01 0.00 -2.00 0.00 0.00 41.25 39.85 1jgx s ASN 259 CO 0.02 -1.33 0.08 0.00 -2.94 0.00 0.00 177.10 172.93 1jgx n ALA 260 N -0.58 0.30 -2.53 3.54 0.00 -1.26 -5.08 120.51 114.90 1jgx n ALA 260 Ca -0.06 -1.01 -0.24 0.00 0.00 0.00 0.00 53.44 52.13 1jgx n ALA 260 Cb 0.60 0.71 -0.07 0.00 0.00 0.00 0.00 19.45 20.68 1jgx n ALA 260 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jgx s THR 261 N -2.37 2.91 0.51 0.00 -4.23 -1.26 -4.75 115.64 106.44 1jgx s THR 261 Ca 0.12 -1.78 0.21 0.00 -1.18 0.00 0.00 61.69 59.06 1jgx s THR 261 Cb 0.01 -2.92 0.36 0.00 1.34 0.00 0.00 72.50 71.28 1jgx s THR 261 CO 0.08 -0.19 2.02 -0.03 -0.54 0.00 0.00 174.62 175.96 1jgx h MET 262 N 1.63 0.09 0.09 3.99 4.05 -1.91 -1.73 114.93 121.14 1jgx h MET 262 Ca -0.43 -0.01 -0.36 0.00 -0.28 0.00 0.00 59.70 58.62 1jgx h MET 262 Cb 1.25 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 32.00 1jgx h MET 262 CO 0.64 0.06 -2.06 -1.91 0.23 0.00 0.00 176.91 173.88 1jgx n GLU 263 N -4.43 0.73 -0.25 0.39 2.13 -1.26 -4.44 120.64 113.51 1jgx n GLU 263 Ca 0.08 0.24 0.06 0.00 0.66 0.00 0.00 57.16 58.19 1jgx n GLU 263 Cb 0.46 -1.68 0.30 0.00 0.27 0.00 0.00 31.44 30.79 1jgx n GLU 263 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1jgx h GLY 264 N 1.58 1.15 2.00 8.31 0.00 -1.85 -1.98 103.07 112.28 1jgx h GLY 264 Ca -0.44 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.53 1jgx h GLY 264 CO 0.06 0.25 -0.03 1.19 0.00 0.00 0.00 176.54 178.00 1jgx h ILE 265 N 0.88 0.34 0.00 2.60 6.09 -1.54 0.58 117.51 126.46 1jgx h ILE 265 Ca 0.36 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.67 1jgx h ILE 265 Cb 0.27 1.13 0.00 0.00 0.47 0.00 0.00 36.82 38.69 1jgx h ILE 265 CO -0.13 0.03 -0.19 0.45 -3.07 0.00 0.00 178.15 175.24 1jgx h HIS 266 N 0.00 0.00 0.01 2.19 3.86 -1.60 0.11 115.15 119.72 1jgx h HIS 266 Ca -0.00 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.00 1jgx h HIS 266 Cb 0.12 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.61 1jgx h HIS 266 CO 0.00 0.00 -0.81 0.00 0.86 0.00 0.00 177.93 177.98 1jgx h ARG 267 N 0.00 0.53 0.23 2.45 3.08 -0.93 0.39 114.38 120.13 1jgx h ARG 267 Ca 0.00 -0.59 -0.00 0.00 0.07 0.00 0.00 59.98 59.46 1jgx h ARG 267 Cb 0.97 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 1jgx h ARG 267 CO 0.00 1.21 -0.16 -1.49 -1.07 0.00 0.00 179.97 178.46 1jgx h TRP 268 N 0.10 -0.42 0.13 3.04 4.06 -1.22 -1.69 115.95 119.94 1jgx h TRP 268 Ca -0.10 -0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.86 1jgx h TRP 268 Cb 1.50 0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 29.78 1jgx h TRP 268 CO 0.13 -0.25 -0.35 0.00 -3.56 0.00 0.00 178.44 174.40 1jgx h ALA 269 N 0.36 -0.62 -0.13 1.49 0.00 -0.74 0.15 119.26 119.76 1jgx h ALA 269 Ca -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1jgx h ALA 269 Cb 0.34 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1jgx h ALA 269 CO 0.00 -0.91 0.01 0.97 0.00 0.00 0.00 179.25 179.33 1jgx h ILE 270 N -0.59 1.08 0.22 0.00 2.10 -0.84 -2.78 117.51 116.70 1jgx h ILE 270 Ca 0.03 -0.31 -0.30 0.00 1.08 0.00 0.00 64.86 65.36 1jgx h ILE 270 Cb 0.62 0.97 0.04 0.00 -1.09 0.00 0.00 36.82 37.35 1jgx h ILE 270 CO -0.20 0.10 -1.32 -0.50 -1.08 0.00 0.00 178.15 175.15 1jgx h TRP 271 N 0.19 0.91 -0.09 2.19 4.06 -0.93 -2.32 115.95 119.96 1jgx h TRP 271 Ca 0.05 -0.65 0.04 0.00 2.06 0.00 0.00 58.89 60.39 1jgx h TRP 271 Cb 0.11 -0.04 -0.06 0.00 -1.00 0.00 0.00 29.16 28.17 1jgx h TRP 271 CO 0.00 1.50 -0.34 1.98 -3.56 0.00 0.00 178.44 178.02 1jgx h MET 272 N 0.06 -0.43 0.08 0.49 4.05 -0.82 -1.07 114.93 117.29 1jgx h MET 272 Ca -0.23 0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.22 1jgx h MET 272 Cb 2.04 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 32.93 1jgx h MET 272 CO 0.25 -0.28 -0.04 0.00 0.23 0.00 0.00 176.91 177.07 1jgx h ALA 273 N 0.30 -0.11 -0.52 0.39 0.00 -1.61 -3.07 119.26 114.65 1jgx h ALA 273 Ca 0.08 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1jgx h ALA 273 Cb 0.57 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1jgx h ALA 273 CO -0.34 -0.47 0.35 0.28 0.00 0.00 0.00 179.25 179.08 1jgx h VAL 274 N -0.30 0.86 0.00 0.00 2.07 -1.23 -1.71 116.25 115.94 1jgx h VAL 274 Ca -0.01 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1jgx h VAL 274 Cb 0.25 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1jgx h VAL 274 CO 0.02 0.04 0.00 -0.07 0.02 0.00 0.00 177.57 177.58 1jgx h LEU 275 N 0.24 0.00 0.69 2.57 3.38 -1.09 -2.90 115.31 118.20 1jgx h LEU 275 Ca 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1jgx h LEU 275 Cb 0.63 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.38 1jgx h LEU 275 CO -0.05 0.00 -0.33 0.58 0.09 0.00 0.00 178.44 178.73 1jgx h VAL 276 N 0.00 0.31 0.00 1.22 2.07 -1.39 -2.24 116.25 116.22 1jgx h VAL 276 Ca 0.00 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 1jgx h VAL 276 Cb 0.42 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1jgx h VAL 276 CO 0.00 0.01 -0.25 0.71 0.02 0.00 0.00 177.57 178.05 1jgx h THR 277 N -0.96 0.46 0.01 2.57 1.35 -1.73 -2.44 112.91 112.17 1jgx h THR 277 Ca -0.09 -1.53 -0.00 0.00 -0.55 0.00 0.00 66.41 64.23 1jgx h THR 277 Cb 0.72 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 1jgx h THR 277 CO 0.15 0.25 -0.00 0.25 -0.25 0.00 0.00 175.52 175.92 1jgx h LEU 278 N 0.00 -0.01 -0.52 3.87 5.85 -1.47 -0.79 115.31 122.24 1jgx h LEU 278 Ca -0.00 -0.26 -0.16 0.00 0.84 0.00 0.00 57.88 58.29 1jgx h LEU 278 Cb 1.11 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1jgx h LEU 278 CO 0.03 0.26 -0.58 0.74 -0.34 0.00 0.00 178.44 178.55 1jgx h THR 279 N -0.27 1.34 -0.57 1.05 2.02 -1.46 -3.10 112.91 111.92 1jgx h THR 279 Ca -0.00 -1.87 -0.09 0.00 0.77 0.00 0.00 66.41 65.22 1jgx h THR 279 Cb 0.27 1.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 1jgx h THR 279 CO 0.00 0.57 -0.00 1.23 0.37 0.00 0.00 175.52 177.69 1jgx h GLY 280 N 1.13 1.06 0.74 2.16 0.00 -1.40 -1.12 103.07 105.65 1jgx h GLY 280 Ca -0.00 -0.76 0.04 0.00 0.00 0.00 0.00 47.33 46.61 1jgx h GLY 280 CO 0.11 0.70 0.17 -1.33 0.00 0.00 0.00 176.54 176.19 1jgx h GLY 281 N 1.00 0.53 0.90 4.60 0.00 -1.08 -0.28 103.07 108.73 1jgx h GLY 281 Ca 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1jgx h GLY 281 CO 0.03 0.07 -0.12 -2.22 0.00 0.00 0.00 176.54 174.30 1jgx h ILE 282 N 0.36 0.79 -0.76 2.60 2.04 -1.44 0.11 117.51 121.23 1jgx h ILE 282 Ca 0.17 -0.21 0.17 0.00 1.00 0.00 0.00 64.86 65.99 1jgx h ILE 282 Cb 0.11 0.92 -0.12 0.00 -0.74 0.00 0.00 36.82 37.00 1jgx h ILE 282 CO -0.15 0.05 0.15 1.23 0.00 0.00 0.00 178.15 179.43 1jgx h GLY 283 N -0.44 1.03 1.62 5.37 0.00 -0.80 0.14 103.07 109.98 1jgx h GLY 283 Ca -0.03 -0.01 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 1jgx h GLY 283 CO 0.06 -0.24 -0.73 -2.22 0.00 0.00 0.00 176.54 173.41 1jgx h ILE 284 N 0.23 1.39 -0.05 2.60 1.08 -0.92 -3.18 117.51 118.65 1jgx h ILE 284 Ca 0.43 -2.16 -0.07 0.00 -0.39 0.00 0.00 64.86 62.67 1jgx h ILE 284 Cb 0.76 2.12 -0.01 0.00 -3.07 0.00 0.00 36.82 36.63 1jgx h ILE 284 CO -0.56 0.65 -0.31 0.25 -0.69 0.00 0.00 178.15 177.49 1jgx h LEU 285 N 0.25 0.09 -0.54 1.44 5.85 0.91 -2.35 115.31 120.96 1jgx h LEU 285 Ca -0.03 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1jgx h LEU 285 Cb 1.30 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1jgx h LEU 285 CO 0.12 0.40 -0.04 0.18 -0.34 0.00 0.00 178.44 178.76 1jgx n LEU 286 N -4.15 0.88 -4.55 2.25 4.77 -0.35 -4.52 117.00 111.33 1jgx n LEU 286 Ca -0.02 -0.26 -0.41 0.00 -0.03 0.00 0.00 56.01 55.29 1jgx n LEU 286 Cb 0.37 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.34 1jgx n LEU 286 CO 0.39 0.15 0.19 -0.44 -1.33 0.00 0.00 177.39 176.35 1jgx s SER 287 N -2.13 6.29 0.00 -1.43 0.01 -0.89 -1.10 113.70 114.46 1jgx s SER 287 Ca 0.38 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1jgx s SER 287 Cb 0.21 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 64.18 1jgx s SER 287 CO 0.38 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1jgx n GLY 288 N 4.83 1.60 0.36 3.44 0.00 0.63 -4.84 105.19 111.21 1jgx n GLY 288 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 1jgx n GLY 288 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jgx n THR 289 N -2.00 0.90 -0.06 2.61 -2.24 -1.26 -4.88 114.28 107.36 1jgx n THR 289 Ca 0.00 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.41 1jgx n THR 289 Cb 0.00 -1.52 -0.04 0.00 -2.10 0.00 0.00 70.33 66.67 1jgx n THR 289 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1jgx n VAL 290 N -3.50 0.62 -4.28 2.28 0.31 -1.18 -4.98 118.33 107.60 1jgx n VAL 290 Ca -0.31 -0.18 -0.34 0.00 -0.01 0.00 0.00 64.34 63.50 1jgx n VAL 290 Cb 0.75 -1.47 -0.11 0.00 -0.91 0.00 0.00 33.84 32.09 1jgx n VAL 290 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1jgx s VAL 291 N -2.21 4.17 -0.10 2.52 1.01 -0.25 -4.99 120.40 120.55 1jgx s VAL 291 Ca -0.16 -0.26 0.19 0.00 0.00 0.00 0.00 61.98 61.76 1jgx s VAL 291 Cb 0.06 -2.84 -0.29 0.00 0.00 0.00 0.00 36.38 33.31 1jgx s VAL 291 CO 0.21 0.49 0.29 -0.67 0.00 0.00 0.00 175.10 175.41 1jgx n ASP 292 N 3.50 0.26 -3.44 3.32 2.03 -1.26 -0.27 116.55 120.69 1jgx n ASP 292 Ca -0.17 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.03 1jgx n ASP 292 Cb 0.52 1.52 -0.09 0.00 -0.72 0.00 0.00 41.12 42.36 1jgx n ASP 292 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1jgx s ASN 293 N -4.81 0.33 0.44 1.67 3.84 -1.25 -4.49 114.94 110.67 1jgx s ASN 293 Ca -0.08 0.30 0.21 0.00 0.21 0.00 0.00 52.86 53.49 1jgx s ASN 293 Cb 0.10 1.02 1.03 0.00 -0.55 0.00 0.00 41.25 42.85 1jgx s ASN 293 CO 0.83 -0.29 1.91 -0.50 -2.79 0.00 0.00 177.10 176.26 1jgx h TRP 294 N 8.21 0.00 -0.16 0.43 4.06 0.10 -0.86 115.95 127.73 1jgx h TRP 294 Ca -0.18 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.75 1jgx h TRP 294 Cb 1.15 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.30 1jgx h TRP 294 CO 0.17 0.25 0.03 -0.92 -3.56 0.00 0.00 178.44 174.40 1jgx h TYR 295 N 0.00 0.28 0.15 0.49 3.20 -1.75 0.29 116.97 119.62 1jgx h TYR 295 Ca -0.00 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1jgx h TYR 295 Cb 0.57 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1jgx h TYR 295 CO 0.00 0.43 -0.07 0.28 -1.64 0.00 0.00 178.16 177.16 1jgx h VAL 296 N 0.05 0.94 -0.77 1.81 2.07 -1.84 -2.14 116.25 116.37 1jgx h VAL 296 Ca 0.05 -0.37 0.12 0.00 0.82 0.00 0.00 66.70 67.31 1jgx h VAL 296 Cb 0.30 1.18 -0.08 0.00 -1.52 0.00 0.00 31.29 31.16 1jgx h VAL 296 CO 0.00 0.09 0.39 -0.25 0.02 0.00 0.00 177.57 177.82 1jgx h TRP 297 N -0.37 0.68 -0.10 1.57 7.01 -1.15 0.46 115.95 124.06 1jgx h TRP 297 Ca -0.02 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.04 1jgx h TRP 297 Cb 0.30 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.16 1jgx h TRP 297 CO -0.01 0.21 0.07 0.78 -2.79 0.00 0.00 178.44 176.70 1jgx h GLY 298 N 0.61 0.00 0.69 2.65 0.00 -0.66 0.99 103.07 107.35 1jgx h GLY 298 Ca 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.68 1jgx h GLY 298 CO -0.31 0.00 -0.13 1.46 0.00 0.00 0.00 176.54 177.56 1jgx h GLN 299 N 0.00 0.29 0.00 4.80 1.08 0.58 -3.40 115.11 118.47 1jgx h GLN 299 Ca 0.05 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1jgx h GLN 299 Cb 0.20 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1jgx h GLN 299 CO -0.00 0.71 -0.76 0.09 -0.95 0.00 0.00 178.83 177.92 1jgx n ASN 300 N -4.60 1.79 0.00 1.46 3.02 -0.90 -5.00 115.26 111.03 1jgx n ASN 300 Ca -0.07 0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 1jgx n ASN 300 Cb 0.35 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 1jgx n ASN 300 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1jgx n HIS 301 N -4.42 0.00 0.02 3.10 8.25 0.34 -5.09 115.22 117.42 1jgx n HIS 301 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1jgx n HIS 301 Cb 0.40 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.51 1jgx n HIS 301 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39