#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgw s GLU 2 N 0.00 3.15 0.27 0.00 -1.05 -1.26 -5.06 118.70 114.76 1jgw s GLU 2 Ca 0.00 -0.53 -0.31 0.00 -0.15 0.00 0.00 54.97 53.98 1jgw s GLU 2 Cb 0.00 -2.89 -0.12 0.00 -0.44 0.00 0.00 34.13 30.68 1jgw s GLU 2 CO 0.00 0.61 1.61 0.98 0.95 0.00 0.00 175.26 179.41 1jgw n TYR 3 N 0.60 2.79 -0.02 4.83 9.36 -1.26 -4.92 117.16 128.54 1jgw n TYR 3 Ca -0.09 0.23 0.03 0.00 3.32 0.00 0.00 57.90 61.39 1jgw n TYR 3 Cb 0.52 -2.60 -0.14 0.00 -0.63 0.00 0.00 39.34 36.48 1jgw n TYR 3 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1jgw n GLN 4 N 2.49 0.66 -2.49 2.98 1.13 -1.26 -5.03 117.38 115.86 1jgw n GLN 4 Ca 0.10 -0.06 -0.05 0.00 -1.94 0.00 0.00 57.00 55.05 1jgw n GLN 4 Cb 0.36 -1.58 0.01 0.00 0.11 0.00 0.00 30.24 29.14 1jgw n GLN 4 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1jgw n ASN 5 N -2.52 -2.56 -0.04 1.08 5.15 -1.26 -4.96 115.26 110.15 1jgw n ASN 5 Ca -0.13 -0.07 -0.13 0.00 -0.60 0.00 0.00 54.58 53.64 1jgw n ASN 5 Cb 0.79 -1.39 -0.14 0.00 -0.53 0.00 0.00 39.78 38.50 1jgw n ASN 5 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1jgw n ILE 6 N -3.35 1.62 -4.47 -1.44 2.08 -1.26 -4.90 119.36 107.64 1jgw n ILE 6 Ca -0.02 -0.74 -0.22 0.00 0.56 0.00 0.00 62.75 62.33 1jgw n ILE 6 Cb 0.52 -1.19 -0.14 0.00 -0.75 0.00 0.00 39.64 38.09 1jgw n ILE 6 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1jgw s PHE 7 N -2.56 1.41 0.49 1.39 0.08 -1.26 -4.76 117.98 112.76 1jgw s PHE 7 Ca -0.14 -0.35 -0.21 0.00 0.12 0.00 0.00 56.93 56.35 1jgw s PHE 7 Cb 0.07 -0.84 -0.07 0.00 -0.57 0.00 0.00 43.02 41.61 1jgw s PHE 7 CO 0.79 0.05 1.12 -1.12 -0.10 0.00 0.00 175.22 175.96 1jgw s SER 8 N -1.07 6.07 -0.00 1.36 0.01 -0.47 -4.96 113.70 114.63 1jgw s SER 8 Ca 0.04 2.17 0.13 0.00 1.31 0.00 0.00 55.95 59.60 1jgw s SER 8 Cb -0.08 -2.59 -0.20 0.00 0.21 0.00 0.00 66.02 63.36 1jgw s SER 8 CO 0.01 -0.98 0.75 1.56 0.41 0.00 0.00 173.24 175.00 1jgw h GLN 9 N 1.67 0.00 -3.52 12.44 4.20 -1.98 -3.47 115.11 124.46 1jgw h GLN 9 Ca -0.50 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 57.99 1jgw h GLN 9 Cb 1.25 0.00 -0.29 0.00 0.30 0.00 0.00 27.48 28.74 1jgw h GLN 9 CO 0.59 0.48 -0.65 0.08 -0.67 0.00 0.00 178.83 178.66 1jgw s VAL 10 N -2.68 -0.01 0.01 -0.54 1.01 -1.26 -5.15 120.40 111.78 1jgw s VAL 10 Ca -0.04 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1jgw s VAL 10 Cb 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.30 1jgw s VAL 10 CO 0.82 0.02 0.09 -1.10 0.00 0.00 0.00 175.10 174.93 1jgw s GLN 11 N 0.32 3.05 -0.02 2.72 -0.21 -1.26 -5.10 119.66 119.16 1jgw s GLN 11 Ca -0.02 -0.52 0.03 0.00 0.02 0.00 0.00 55.36 54.87 1jgw s GLN 11 Cb -0.04 -2.84 -0.00 0.00 1.00 0.00 0.00 33.01 31.13 1jgw s GLN 11 CO -0.01 0.63 -0.12 0.08 -2.12 0.00 0.00 175.29 173.75 1jgw s VAL 12 N -1.25 1.00 0.05 1.09 1.01 -1.26 -5.15 120.40 115.89 1jgw s VAL 12 Ca 0.25 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.78 1jgw s VAL 12 Cb -0.12 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1jgw s VAL 12 CO 0.16 0.29 -0.15 -0.60 0.00 0.00 0.00 175.10 174.81 1jgw s ARG 13 N -0.02 0.95 0.00 2.72 3.52 -1.26 -5.07 118.95 119.79 1jgw s ARG 13 Ca -0.00 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 54.78 1jgw s ARG 13 Cb -0.08 -0.97 0.00 0.00 -1.56 0.00 0.00 34.95 32.34 1jgw s ARG 13 CO 0.00 0.24 0.00 0.41 -0.81 0.00 0.00 175.30 175.14 1jgw n GLY 14 N 1.77 4.22 3.62 8.12 0.00 -1.26 -5.13 105.19 116.54 1jgw n GLY 14 Ca -0.19 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.72 1jgw n GLY 14 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jgw n PRO 15 N 0.00 0.87 -1.77 1.61 -0.02 -1.26 -4.89 135.00 129.54 1jgw n PRO 15 Ca 0.00 0.34 -0.40 0.00 -2.02 0.00 0.00 63.50 61.42 1jgw n PRO 15 Cb 0.00 -2.20 0.02 0.00 -0.02 0.00 0.00 33.50 31.30 1jgw n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jgw s ALA 16 N -1.52 3.23 -0.29 3.55 0.00 -1.26 -4.95 121.76 120.52 1jgw s ALA 16 Ca 0.77 1.48 -0.17 0.00 0.00 0.00 0.00 51.96 54.05 1jgw s ALA 16 Cb -0.41 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.09 1jgw s ALA 16 CO 0.46 -1.23 0.46 0.34 0.00 0.00 0.00 175.76 175.79 1jgw s ASP 17 N -0.49 6.33 0.00 0.00 -1.08 -1.26 -4.95 116.67 115.22 1jgw s ASP 17 Ca 0.62 0.26 0.16 0.00 -0.52 0.00 0.00 52.55 53.07 1jgw s ASP 17 Cb -0.44 -2.25 0.55 0.00 -1.46 0.00 0.00 42.92 39.32 1jgw s ASP 17 CO 0.57 -0.31 1.41 0.18 0.52 0.00 0.00 175.17 177.54 1jgw n LEU 18 N 5.53 1.73 -1.17 -1.34 4.77 -1.26 -4.66 117.00 120.60 1jgw n LEU 18 Ca -0.06 -0.80 0.15 0.00 -0.03 0.00 0.00 56.01 55.27 1jgw n LEU 18 Cb 0.50 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1jgw n LEU 18 CO 0.41 0.40 -0.38 0.61 -1.33 0.00 0.00 177.39 177.09 1jgw n GLY 19 N 1.09 -2.59 3.72 -0.72 0.00 -1.26 -4.90 105.19 100.53 1jgw n GLY 19 Ca 0.14 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 1jgw n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jgw s MET 20 N -3.11 1.91 -0.12 1.61 -1.94 -1.26 -5.02 119.30 111.36 1jgw s MET 20 Ca 0.00 1.65 -0.13 0.00 -1.71 0.00 0.00 55.69 55.50 1jgw s MET 20 Cb 0.00 -1.82 -0.05 0.00 2.01 0.00 0.00 34.83 34.97 1jgw s MET 20 CO 0.00 -1.98 -0.27 1.28 -0.01 0.00 0.00 175.02 174.04 1jgw n LEU 21 N -3.13 1.71 0.00 -0.03 4.77 -1.26 -4.97 117.00 114.10 1jgw n LEU 21 Ca 0.13 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1jgw n LEU 21 Cb 0.51 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1jgw n LEU 21 CO 0.48 -0.29 0.00 -0.62 -1.33 0.00 0.00 177.39 175.64 1jgw n GLU 22 N -4.19 0.00 -1.10 3.23 -0.58 -1.26 -1.34 120.64 115.40 1jgw n GLU 22 Ca -0.14 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.47 1jgw n GLU 22 Cb 0.44 0.00 0.27 0.00 -0.57 0.00 0.00 31.44 31.58 1jgw n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1jgw n ASP 23 N 2.72 4.50 -4.76 1.62 8.00 -0.55 -4.97 116.55 123.10 1jgw n ASP 23 Ca 0.00 -3.36 -0.40 0.00 0.71 0.00 0.00 54.79 51.74 1jgw n ASP 23 Cb 0.00 -0.78 -0.06 0.00 -0.02 0.00 0.00 41.12 40.26 1jgw n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jgw s VAL 24 N -3.10 4.24 -0.85 2.53 1.01 -0.45 -4.81 120.40 118.97 1jgw s VAL 24 Ca 0.56 1.95 -0.25 0.00 0.00 0.00 0.00 61.98 64.24 1jgw s VAL 24 Cb 0.46 -4.26 0.05 0.00 0.00 0.00 0.00 36.38 32.62 1jgw s VAL 24 CO 0.13 0.48 1.31 0.21 0.00 0.00 0.00 175.10 177.23 1jgw s ASN 25 N -0.98 6.32 0.59 3.32 2.47 -1.26 -4.84 114.94 120.56 1jgw s ASN 25 Ca 0.40 -0.98 0.27 0.00 0.42 0.00 0.00 52.86 52.97 1jgw s ASN 25 Cb -0.25 -2.54 1.47 0.00 -1.45 0.00 0.00 41.25 38.49 1jgw s ASN 25 CO 0.30 -1.63 1.81 -0.07 -3.72 0.00 0.00 177.10 173.79 1jgw h LEU 26 N 12.64 0.00 -1.05 3.21 3.38 -1.94 -0.19 115.31 131.35 1jgw h LEU 26 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1jgw h LEU 26 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1jgw h LEU 26 CO 1.32 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.85 1jgw h ALA 27 N 1.36 1.00 -0.12 1.53 0.00 -2.02 -2.86 119.26 118.15 1jgw h ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jgw h ALA 27 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1jgw h ALA 27 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1jgw n ASN 28 N -2.50 2.83 -4.78 0.00 3.02 -0.08 -4.94 115.26 108.81 1jgw n ASN 28 Ca 0.01 -1.91 -0.38 0.00 -0.03 0.00 0.00 54.58 52.27 1jgw n ASN 28 Cb 0.23 -0.07 -0.06 0.00 -0.61 0.00 0.00 39.78 39.27 1jgw n ASN 28 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1jgw s ARG 29 N -1.86 4.16 0.00 3.52 0.52 -1.08 -1.46 118.95 122.75 1jgw s ARG 29 Ca 0.32 0.47 0.00 0.00 -0.52 0.00 0.00 55.73 56.00 1jgw s ARG 29 Cb 0.21 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 32.35 1jgw s ARG 29 CO 0.31 0.43 0.00 -1.13 0.02 0.00 0.00 175.30 174.92 1jgw n SER 30 N 2.70 -0.13 -4.74 0.23 3.41 0.79 -4.93 113.62 110.94 1jgw n SER 30 Ca -0.10 -0.08 -0.23 0.00 -0.26 0.00 0.00 58.87 58.20 1jgw n SER 30 Cb 0.52 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 1jgw n SER 30 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1jgw s GLY 31 N -1.23 1.77 0.28 5.00 0.00 -1.26 -4.63 107.32 107.24 1jgw s GLY 31 Ca 0.00 -1.70 -0.29 0.00 0.00 0.00 0.00 44.72 42.73 1jgw s GLY 31 CO 0.00 -1.68 1.18 -0.62 0.00 0.00 0.00 173.10 171.98 1jgw n VAL 32 N -1.13 1.64 -2.10 1.40 0.31 -1.26 -4.29 118.33 112.90 1jgw n VAL 32 Ca -0.04 -0.41 -0.01 0.00 -0.01 0.00 0.00 64.34 63.87 1jgw n VAL 32 Cb 0.60 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 1jgw n VAL 32 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jgw n GLY 33 N 1.40 0.53 3.76 2.92 0.00 0.12 -4.92 105.19 109.00 1jgw n GLY 33 Ca 0.09 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 1jgw n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jgw s PRO 34 N -2.54 -0.33 -0.19 1.61 0.04 -1.26 -4.57 135.00 127.76 1jgw s PRO 34 Ca 0.02 -0.25 -0.06 0.00 0.04 0.00 0.00 61.00 60.76 1jgw s PRO 34 Cb -0.00 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.79 1jgw s PRO 34 CO 0.01 -3.09 0.02 -0.06 0.04 0.00 0.00 177.00 173.92 1jgw s PHE 35 N -3.45 3.10 -0.46 0.56 0.40 -1.26 -2.27 117.98 114.60 1jgw s PHE 35 Ca 0.73 -0.25 -0.17 0.00 -0.60 0.00 0.00 56.93 56.64 1jgw s PHE 35 Cb -0.07 -2.07 0.05 0.00 0.51 0.00 0.00 43.02 41.44 1jgw s PHE 35 CO 0.55 -0.08 0.45 0.45 0.70 0.00 0.00 175.22 177.28 1jgw s SER 36 N 0.73 6.17 0.37 1.36 0.15 0.15 -4.92 113.70 117.72 1jgw s SER 36 Ca 0.01 -1.03 0.08 0.00 0.70 0.00 0.00 55.95 55.71 1jgw s SER 36 Cb -0.14 -2.21 0.73 0.00 -1.71 0.00 0.00 66.02 62.69 1jgw s SER 36 CO 0.02 -0.66 1.92 0.74 1.20 0.00 0.00 173.24 176.45 1jgw h THR 37 N 5.76 1.17 0.62 6.45 2.02 -1.97 -0.28 112.91 126.68 1jgw h THR 37 Ca -0.28 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.16 1jgw h THR 37 Cb 1.11 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1jgw h THR 37 CO 0.86 0.24 -0.39 0.25 0.37 0.00 0.00 175.52 176.85 1jgw h LEU 38 N 0.35 -0.98 -1.71 2.58 5.85 -1.97 -2.71 115.31 116.72 1jgw h LEU 38 Ca 0.08 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1jgw h LEU 38 Cb 0.32 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1jgw h LEU 38 CO 0.01 -0.60 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.27 1jgw h LEU 39 N -0.95 0.00 -1.64 2.25 3.38 -1.81 -2.99 115.31 113.54 1jgw h LEU 39 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1jgw h LEU 39 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1jgw h LEU 39 CO 0.07 0.17 0.00 1.23 0.09 0.00 0.00 178.44 180.00 1jgw h GLY 40 N 0.57 0.00 2.00 0.83 0.00 -0.71 0.93 103.07 106.69 1jgw h GLY 40 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1jgw h GLY 40 CO 0.02 0.00 -0.57 1.49 0.00 0.00 0.00 176.54 177.48 1jgw h TRP 41 N 0.00 0.00 0.00 5.60 4.06 -1.50 -3.33 115.95 120.78 1jgw h TRP 41 Ca 0.00 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.64 1jgw h TRP 41 Cb 0.15 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.25 1jgw h TRP 41 CO 0.00 0.57 -2.18 0.34 -3.56 0.00 0.00 178.44 173.61 1jgw n PHE 42 N -3.36 0.00 -1.29 0.49 7.35 -0.79 -1.37 117.46 118.48 1jgw n PHE 42 Ca 0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 1jgw n PHE 42 Cb 0.71 -0.84 0.00 0.00 0.35 0.00 0.00 39.48 39.70 1jgw n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1jgw n GLY 43 N 2.05 2.66 3.70 7.13 0.00 0.26 -4.95 105.19 116.04 1jgw n GLY 43 Ca -0.30 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 1jgw n GLY 43 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jgw n ASN 44 N 0.00 2.78 0.03 1.61 3.02 -1.26 -3.60 115.26 117.85 1jgw n ASN 44 Ca 0.00 1.19 0.11 0.00 -0.03 0.00 0.00 54.58 55.85 1jgw n ASN 44 Cb 0.00 -1.49 -0.07 0.00 -0.61 0.00 0.00 39.78 37.61 1jgw n ASN 44 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jgw n ALA 45 N 0.25 3.01 -2.50 5.41 0.00 -1.26 -4.11 120.51 121.31 1jgw n ALA 45 Ca 0.05 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 1jgw n ALA 45 Cb 0.37 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 1jgw n ALA 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1jgw s GLN 46 N -3.36 4.45 -0.12 0.00 0.74 -1.26 0.32 119.66 120.44 1jgw s GLN 46 Ca -0.02 1.66 -0.03 0.00 0.05 0.00 0.00 55.36 57.03 1jgw s GLN 46 Cb 0.13 -3.41 -0.03 0.00 1.10 0.00 0.00 33.01 30.80 1jgw s GLN 46 CO 0.84 -0.23 -0.01 -0.51 -0.55 0.00 0.00 175.29 174.83 1jgw s LEU 47 N 1.22 3.48 0.23 3.68 1.43 -0.96 -4.95 118.68 122.80 1jgw s LEU 47 Ca 0.56 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 1jgw s LEU 47 Cb -0.27 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1jgw s LEU 47 CO 0.28 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.76 1jgw n GLY 48 N 2.71 -2.02 3.73 -3.19 0.00 -1.26 0.14 105.19 105.30 1jgw n GLY 48 Ca -0.18 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 1jgw n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jgw s PRO 49 N -2.25 -0.77 0.06 1.61 0.04 -1.26 -4.43 135.00 128.00 1jgw s PRO 49 Ca 0.00 -0.33 0.02 0.00 0.04 0.00 0.00 61.00 60.73 1jgw s PRO 49 Cb 0.00 -1.67 -0.03 0.00 0.04 0.00 0.00 34.50 32.84 1jgw s PRO 49 CO 0.00 -3.37 -0.07 -1.50 0.04 0.00 0.00 177.00 172.10 1jgw s ILE 50 N -3.41 0.53 -0.24 0.56 2.07 -1.26 -4.94 121.20 114.51 1jgw s ILE 50 Ca 0.74 -1.35 -0.06 0.00 -1.41 0.00 0.00 60.65 58.57 1jgw s ILE 50 Cb -0.05 -0.93 -0.02 0.00 0.13 0.00 0.00 42.46 41.58 1jgw s ILE 50 CO 0.55 -0.56 0.04 -0.47 -1.91 0.00 0.00 174.94 172.59 1jgw s TYR 51 N -2.16 3.05 0.00 3.50 5.04 -1.26 -0.15 117.35 125.38 1jgw s TYR 51 Ca -0.03 -0.55 0.00 0.00 -2.44 0.00 0.00 57.07 54.05 1jgw s TYR 51 Cb -0.05 -2.21 0.00 0.00 0.35 0.00 0.00 41.96 40.06 1jgw s TYR 51 CO -0.02 -0.40 0.00 -0.11 -1.34 0.00 0.00 175.55 173.68 1jgw n LEU 52 N 4.89 0.00 0.00 6.97 7.94 -0.53 -4.94 117.00 131.33 1jgw n LEU 52 Ca -0.17 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.73 1jgw n LEU 52 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 1jgw n LEU 52 CO 0.30 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.19 1jgw n GLY 53 N 5.00 0.06 0.00 -3.96 0.00 -1.26 -4.22 105.19 100.81 1jgw n GLY 53 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1jgw n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jgw n SER 54 N -0.91 0.00 -0.35 1.61 7.64 -1.26 -0.81 113.62 119.53 1jgw n SER 54 Ca 0.00 0.46 0.09 0.00 1.01 0.00 0.00 58.87 60.43 1jgw n SER 54 Cb 0.00 -0.17 0.26 0.00 -1.01 0.00 0.00 64.21 63.28 1jgw n SER 54 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1jgw h LEU 55 N 0.00 0.86 -0.64 -3.43 5.85 -1.94 -0.65 115.31 115.36 1jgw h LEU 55 Ca 0.00 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1jgw h LEU 55 Cb 0.00 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1jgw h LEU 55 CO 0.00 0.42 0.43 1.23 -0.34 0.00 0.00 178.44 180.17 1jgw h GLY 56 N 0.91 0.91 1.71 3.75 0.00 -1.14 -2.26 103.07 106.94 1jgw h GLY 56 Ca 0.51 -0.34 -0.18 0.00 0.00 0.00 0.00 47.33 47.33 1jgw h GLY 56 CO -0.30 0.33 -0.74 -2.08 0.00 0.00 0.00 176.54 173.74 1jgw h VAL 57 N 0.87 1.42 -0.38 4.60 2.07 -0.10 -2.75 116.25 121.98 1jgw h VAL 57 Ca 0.24 -2.25 -0.00 0.00 0.82 0.00 0.00 66.70 65.51 1jgw h VAL 57 Cb -0.10 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1jgw h VAL 57 CO -0.05 0.66 0.23 0.25 0.02 0.00 0.00 177.57 178.68 1jgw h LEU 58 N 0.19 0.46 0.35 2.57 5.85 -0.91 -1.42 115.31 122.39 1jgw h LEU 58 Ca -0.03 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1jgw h LEU 58 Cb 1.31 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1jgw h LEU 58 CO 0.12 0.38 -0.17 0.28 -0.34 0.00 0.00 178.44 178.71 1jgw h SER 59 N 0.50 -0.39 -0.44 1.25 0.02 -1.43 0.12 113.55 113.18 1jgw h SER 59 Ca 0.14 -0.12 0.13 0.00 -0.84 0.00 0.00 61.79 61.09 1jgw h SER 59 Cb 0.01 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1jgw h SER 59 CO -0.03 -0.09 0.32 0.25 -1.14 0.00 0.00 176.83 176.14 1jgw h LEU 60 N -0.71 0.01 0.01 5.07 5.85 -1.45 1.54 115.31 125.62 1jgw h LEU 60 Ca -0.05 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1jgw h LEU 60 Cb 0.49 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1jgw h LEU 60 CO 0.08 0.00 -0.34 0.15 -0.34 0.00 0.00 178.44 178.00 1jgw h PHE 61 N 0.01 0.02 -0.93 1.25 3.57 -1.17 -2.96 116.94 116.73 1jgw h PHE 61 Ca 0.21 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.76 1jgw h PHE 61 Cb 0.82 -0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 1jgw h PHE 61 CO -0.00 1.13 0.61 1.03 -2.23 0.00 0.00 178.31 178.85 1jgw h SER 62 N -0.97 0.94 -0.38 0.41 0.87 0.00 -1.67 113.55 112.76 1jgw h SER 62 Ca -0.09 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.45 1jgw h SER 62 Cb 1.10 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.85 1jgw h SER 62 CO -0.04 0.60 0.11 1.23 -0.53 0.00 0.00 176.83 178.20 1jgw h GLY 63 N 1.07 0.65 1.67 5.77 0.00 0.21 -2.54 103.07 109.90 1jgw h GLY 63 Ca 0.40 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 1jgw h GLY 63 CO -0.15 0.36 -0.20 1.41 0.00 0.00 0.00 176.54 177.96 1jgw h LEU 64 N 0.47 0.39 -0.91 3.11 3.38 -1.27 -1.96 115.31 118.51 1jgw h LEU 64 Ca 0.12 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1jgw h LEU 64 Cb 0.27 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1jgw h LEU 64 CO -0.00 0.61 0.05 0.24 0.09 0.00 0.00 178.44 179.43 1jgw h MET 65 N 0.36 0.85 -0.64 1.13 2.86 -1.10 0.44 114.93 118.83 1jgw h MET 65 Ca 0.06 -0.21 -0.09 0.00 -2.06 0.00 0.00 59.70 57.40 1jgw h MET 65 Cb 0.56 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1jgw h MET 65 CO 0.04 0.82 0.04 2.35 1.06 0.00 0.00 176.91 181.22 1jgw h TRP 66 N 0.81 1.18 0.01 -0.22 7.01 -1.10 -0.76 115.95 122.87 1jgw h TRP 66 Ca 0.16 -0.19 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 1jgw h TRP 66 Cb 0.41 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 27.15 1jgw h TRP 66 CO 0.02 1.02 -0.00 0.35 -2.79 0.00 0.00 178.44 177.04 1jgw h PHE 67 N 1.01 -0.01 -0.34 2.65 3.57 -0.62 -2.99 116.94 120.21 1jgw h PHE 67 Ca 0.19 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1jgw h PHE 67 Cb 0.51 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1jgw h PHE 67 CO 0.04 0.32 0.12 0.74 -2.23 0.00 0.00 178.31 177.30 1jgw h PHE 68 N -0.34 0.54 -0.37 0.41 0.04 -0.11 -2.30 116.94 114.81 1jgw h PHE 68 Ca -0.00 -0.05 0.08 0.00 2.80 0.00 0.00 57.97 60.80 1jgw h PHE 68 Cb 0.33 -0.16 -0.09 0.00 2.20 0.00 0.00 35.95 38.24 1jgw h PHE 68 CO 0.04 0.53 -0.28 1.15 -0.60 0.00 0.00 178.31 179.14 1jgw h THR 69 N 0.40 0.30 0.27 -1.55 2.02 -1.18 0.15 112.91 113.32 1jgw h THR 69 Ca 0.11 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.30 1jgw h THR 69 Cb 0.23 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1jgw h THR 69 CO -0.01 0.00 -0.38 0.40 0.37 0.00 0.00 175.52 175.91 1jgw h ILE 70 N -0.22 0.23 -0.66 3.11 2.04 -1.47 -2.21 117.51 118.33 1jgw h ILE 70 Ca 0.17 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.23 1jgw h ILE 70 Cb 0.50 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1jgw h ILE 70 CO -0.50 0.00 0.60 1.23 0.00 0.00 0.00 178.15 179.48 1jgw h GLY 71 N -0.70 0.00 0.72 5.37 0.00 -0.62 0.80 103.07 108.63 1jgw h GLY 71 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1jgw h GLY 71 CO -0.13 0.00 -0.04 -2.22 0.00 0.00 0.00 176.54 174.16 1jgw h ILE 72 N 0.00 1.10 -0.84 2.60 1.08 -0.12 -2.75 117.51 118.58 1jgw h ILE 72 Ca 0.31 -0.62 0.05 0.00 -0.39 0.00 0.00 64.86 64.21 1jgw h ILE 72 Cb 1.52 1.51 -0.05 0.00 -3.07 0.00 0.00 36.82 36.72 1jgw h ILE 72 CO -0.00 0.15 0.53 -0.25 -0.69 0.00 0.00 178.15 177.89 1jgw h TRP 73 N -0.38 0.99 -0.97 1.37 2.91 -0.74 -0.97 115.95 118.16 1jgw h TRP 73 Ca -0.01 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.09 1jgw h TRP 73 Cb 0.33 -0.32 -0.06 0.00 -0.51 0.00 0.00 29.16 28.59 1jgw h TRP 73 CO 0.02 0.54 0.62 0.74 -1.03 0.00 0.00 178.44 179.33 1jgw h PHE 74 N 1.00 1.16 -0.21 2.65 -1.00 -1.29 -1.43 116.94 117.83 1jgw h PHE 74 Ca 0.35 0.03 -0.08 0.00 2.81 0.00 0.00 57.97 61.07 1jgw h PHE 74 Cb 0.08 -0.38 -0.00 0.00 3.61 0.00 0.00 35.95 39.25 1jgw h PHE 74 CO -0.03 0.63 -0.20 -1.49 -1.61 0.00 0.00 178.31 175.61 1jgw h TRP 75 N 1.16 0.60 -0.26 -0.55 4.06 -1.07 -0.86 115.95 119.05 1jgw h TRP 75 Ca 0.41 -0.18 0.03 0.00 2.06 0.00 0.00 58.89 61.21 1jgw h TRP 75 Cb 0.10 -0.13 -0.06 0.00 -1.00 0.00 0.00 29.16 28.07 1jgw h TRP 75 CO -0.01 0.85 -0.46 1.88 -3.56 0.00 0.00 178.44 177.14 1jgw h TYR 76 N 0.19 -1.39 -0.86 0.49 0.05 -0.67 0.59 116.97 115.37 1jgw h TYR 76 Ca 0.03 0.06 0.11 0.00 0.05 0.00 0.00 58.73 58.99 1jgw h TYR 76 Cb 0.74 0.64 -0.06 0.00 1.01 0.00 0.00 36.73 39.06 1jgw h TYR 76 CO 0.08 -0.42 0.56 1.96 -1.05 0.00 0.00 178.16 179.28 1jgw h GLN 77 N -0.38 0.75 -0.02 4.88 4.20 -1.26 0.12 115.11 123.39 1jgw h GLN 77 Ca 0.05 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jgw h GLN 77 Cb 0.52 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1jgw h GLN 77 CO -0.45 0.50 0.00 0.00 -0.67 0.00 0.00 178.83 178.21 1jgw n ALA 78 N -2.43 2.55 -3.42 3.87 0.00 -0.20 -4.88 120.51 116.00 1jgw n ALA 78 Ca 0.15 -0.11 -0.25 0.00 0.00 0.00 0.00 53.44 53.24 1jgw n ALA 78 Cb 0.37 -1.15 0.03 0.00 0.00 0.00 0.00 19.45 18.69 1jgw n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgw n GLY 79 N 0.69 -0.51 2.43 0.00 0.00 0.40 -1.42 105.19 106.78 1jgw n GLY 79 Ca 0.08 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 1jgw n GLY 79 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1jgw n TRP 80 N -4.48 -0.15 -3.15 1.61 7.02 -0.47 -4.91 117.44 112.92 1jgw n TRP 80 Ca -0.03 0.00 -0.44 0.00 -1.02 0.00 0.00 57.50 56.02 1jgw n TRP 80 Cb 0.57 -2.47 -0.06 0.00 -2.42 0.00 0.00 31.31 26.92 1jgw n TRP 80 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 1jgw s ASN 81 N -2.07 6.23 0.29 -0.99 3.84 -0.51 -4.95 114.94 116.78 1jgw s ASN 81 Ca 0.00 -0.83 0.03 0.00 0.21 0.00 0.00 52.86 52.27 1jgw s ASN 81 Cb 0.00 -2.29 0.71 0.00 -0.55 0.00 0.00 41.25 39.12 1jgw s ASN 81 CO 0.00 -0.87 1.68 -0.65 -2.79 0.00 0.00 177.10 174.47 1jgw h PRO 82 N 8.97 0.32 -0.57 0.43 0.11 -1.91 0.42 132.00 139.77 1jgw h PRO 82 Ca -0.27 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.71 1jgw h PRO 82 Cb 1.10 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1jgw h PRO 82 CO 0.95 0.21 -0.07 0.00 -0.21 0.00 0.00 178.00 178.89 1jgw h ALA 83 N 1.72 0.78 0.16 -0.75 0.00 -1.95 -2.47 119.26 116.75 1jgw h ALA 83 Ca 0.55 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1jgw h ALA 83 Cb 1.06 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1jgw h ALA 83 CO -0.57 0.67 -0.07 0.28 0.00 0.00 0.00 179.25 179.56 1jgw h VAL 84 N 0.94 0.98 -1.05 0.00 2.07 -1.23 -1.41 116.25 116.54 1jgw h VAL 84 Ca 0.15 -0.70 0.30 0.00 0.82 0.00 0.00 66.70 67.28 1jgw h VAL 84 Cb 0.63 1.40 -0.13 0.00 -1.52 0.00 0.00 31.29 31.68 1jgw h VAL 84 CO 0.04 0.16 0.64 0.15 0.02 0.00 0.00 177.57 178.58 1jgw h PHE 85 N -0.55 0.83 0.05 1.57 3.57 -0.23 -0.95 116.94 121.23 1jgw h PHE 85 Ca -0.02 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 1jgw h PHE 85 Cb 0.42 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 38.95 1jgw h PHE 85 CO 0.03 -0.06 -0.44 -0.07 -2.23 0.00 0.00 178.31 175.54 1jgw h LEU 86 N 0.38 0.30 -0.67 0.59 -0.00 -1.32 -2.83 115.31 111.75 1jgw h LEU 86 Ca 0.69 -0.88 0.06 0.00 -0.00 0.00 0.00 57.88 57.74 1jgw h LEU 86 Cb 1.64 -0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 42.15 1jgw h LEU 86 CO -0.47 1.16 0.38 -0.09 -0.00 0.00 0.00 178.44 179.41 1jgw h ARG 87 N -0.51 0.68 -0.82 1.13 2.43 -0.08 -3.01 114.38 114.19 1jgw h ARG 87 Ca -0.07 -0.04 -0.58 0.00 -0.81 0.00 0.00 59.98 58.48 1jgw h ARG 87 Cb 1.27 -0.15 -0.35 0.00 -0.42 0.00 0.00 29.97 30.31 1jgw h ARG 87 CO 0.08 0.45 -0.08 -0.25 -1.51 0.00 0.00 179.97 178.66 1jgw n ASP 88 N -4.78 5.85 -0.16 -3.80 8.00 -0.48 -4.76 116.55 116.42 1jgw n ASP 88 Ca 0.08 -3.77 -0.09 0.00 0.71 0.00 0.00 54.79 51.73 1jgw n ASP 88 Cb 0.17 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 1jgw n ASP 88 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1jgw h LEU 89 N 2.02 0.66 -0.53 0.64 5.85 -1.36 -2.61 115.31 119.98 1jgw h LEU 89 Ca 0.46 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1jgw h LEU 89 Cb 1.27 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1jgw h LEU 89 CO 1.07 0.69 0.00 -0.26 -0.34 0.00 0.00 178.44 179.60 1jgw h PHE 90 N 0.60 0.00 0.00 1.25 0.04 -1.86 -3.25 116.94 113.72 1jgw h PHE 90 Ca 0.15 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.73 1jgw h PHE 90 Cb 0.26 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 1jgw h PHE 90 CO 0.01 0.00 -1.51 1.19 -0.60 0.00 0.00 178.31 177.40 1jgw n PHE 91 N -2.31 0.91 -0.53 -0.55 3.01 -1.01 -2.38 117.46 114.60 1jgw n PHE 91 Ca 0.03 0.31 -0.29 0.00 1.01 0.00 0.00 57.45 58.50 1jgw n PHE 91 Cb 0.30 -1.08 0.23 0.00 -0.01 0.00 0.00 39.48 38.92 1jgw n PHE 91 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1jgw n PHE 92 N -2.88 -1.16 -3.65 1.38 3.72 -1.07 -4.84 117.46 108.96 1jgw n PHE 92 Ca -0.11 -0.06 -0.01 0.00 -0.05 0.00 0.00 57.45 57.22 1jgw n PHE 92 Cb 0.87 -1.70 -0.06 0.00 -0.94 0.00 0.00 39.48 37.65 1jgw n PHE 92 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1jgw s SER 93 N -2.30 -0.19 -0.50 4.37 0.15 -1.26 -4.55 113.70 109.42 1jgw s SER 93 Ca 0.66 0.33 -0.17 0.00 0.70 0.00 0.00 55.95 57.47 1jgw s SER 93 Cb -0.23 0.88 0.08 0.00 -1.71 0.00 0.00 66.02 65.05 1jgw s SER 93 CO 0.65 -0.05 0.48 -0.22 1.20 0.00 0.00 173.24 175.30 1jgw s LEU 94 N 0.86 5.56 0.41 3.45 2.96 -1.02 -4.96 118.68 125.95 1jgw s LEU 94 Ca -0.05 -1.32 -0.09 0.00 -0.22 0.00 0.00 54.13 52.45 1jgw s LEU 94 Cb -0.03 -2.25 -0.06 0.00 0.50 0.00 0.00 46.19 44.35 1jgw s LEU 94 CO -0.12 -0.76 0.76 -1.61 -1.32 0.00 0.00 176.35 173.30 1jgw s GLU 95 N 1.91 3.73 0.84 1.98 0.41 -1.26 -2.13 118.70 124.18 1jgw s GLU 95 Ca 0.07 0.40 -0.12 0.00 -0.41 0.00 0.00 54.97 54.91 1jgw s GLU 95 Cb -0.24 -2.40 0.10 0.00 -1.78 0.00 0.00 34.13 29.81 1jgw s GLU 95 CO 0.07 -0.05 1.19 -1.25 -0.49 0.00 0.00 175.26 174.73 1jgw s PRO 96 N -3.96 1.72 0.61 0.39 0.04 -1.26 -4.49 135.00 128.05 1jgw s PRO 96 Ca 0.50 0.09 -0.19 0.00 0.04 0.00 0.00 61.00 61.44 1jgw s PRO 96 Cb -0.10 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1jgw s PRO 96 CO 0.33 -1.76 1.19 -0.35 0.04 0.00 0.00 177.00 176.45 1jgw n PRO 97 N -3.43 1.15 -0.75 0.56 -0.04 -1.23 -4.60 135.00 126.67 1jgw n PRO 97 Ca 0.08 0.44 -0.30 0.00 -0.04 0.00 0.00 63.50 63.68 1jgw n PRO 97 Cb 0.61 -2.41 0.18 0.00 -0.04 0.00 0.00 33.50 31.83 1jgw n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jgw s ALA 98 N -1.41 1.14 0.23 0.55 0.00 -1.21 -3.97 121.76 117.10 1jgw s ALA 98 Ca 0.78 0.38 -0.08 0.00 0.00 0.00 0.00 51.96 53.04 1jgw s ALA 98 Cb -0.40 -3.38 0.38 0.00 0.00 0.00 0.00 23.12 19.72 1jgw s ALA 98 CO 0.44 -2.87 1.69 -1.35 0.00 0.00 0.00 175.76 173.67 1jgw h PRO 99 N -1.94 0.23 -0.92 0.00 0.11 -1.93 -2.72 132.00 124.83 1jgw h PRO 99 Ca -0.47 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.79 1jgw h PRO 99 Cb 1.28 -0.05 -0.16 0.00 0.11 0.00 0.00 31.00 32.17 1jgw h PRO 99 CO 0.45 0.15 -0.29 0.39 -0.21 0.00 0.00 178.00 178.50 1jgw n GLU 100 N -5.17 -0.14 0.00 1.05 4.71 -1.26 -0.05 120.64 119.78 1jgw n GLU 100 Ca 0.12 1.42 0.03 0.00 -0.01 0.00 0.00 57.16 58.72 1jgw n GLU 100 Cb 0.40 -2.12 0.16 0.00 -1.01 0.00 0.00 31.44 28.87 1jgw n GLU 100 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1jgw n TYR 101 N -5.43 0.00 0.00 -0.32 4.01 -1.03 -4.93 117.16 109.46 1jgw n TYR 101 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1jgw n TYR 101 Cb 0.42 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 1jgw n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jgw n GLY 102 N -0.75 3.76 0.59 2.72 0.00 0.93 -2.20 105.19 110.25 1jgw n GLY 102 Ca 0.03 0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.24 1jgw n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jgw n LEU 103 N 0.00 2.95 -4.93 0.99 4.77 -1.25 -1.75 117.00 117.79 1jgw n LEU 103 Ca 0.00 -3.63 -0.25 0.00 -0.03 0.00 0.00 56.01 52.09 1jgw n LEU 103 Cb 0.00 -0.53 0.02 0.00 -2.33 0.00 0.00 43.42 40.58 1jgw n LEU 103 CO 0.00 1.17 0.42 -0.94 -1.33 0.00 0.00 177.39 176.71 1jgw s SER 104 N -2.94 5.85 -0.28 -1.43 1.04 -0.93 -4.97 113.70 110.02 1jgw s SER 104 Ca 0.38 0.61 0.12 0.00 0.48 0.00 0.00 55.95 57.54 1jgw s SER 104 Cb 0.35 -1.78 0.69 0.00 0.10 0.00 0.00 66.02 65.37 1jgw s SER 104 CO -0.02 -0.81 1.68 0.49 0.98 0.00 0.00 173.24 175.56 1jgw n PHE 105 N -2.32 1.94 0.09 5.02 3.01 -1.26 -4.45 117.46 119.49 1jgw n PHE 105 Ca 0.02 -1.12 0.11 0.00 1.01 0.00 0.00 57.45 57.47 1jgw n PHE 105 Cb 0.57 -0.57 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 1jgw n PHE 105 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jgw n ALA 106 N -0.25 2.52 -1.58 4.37 0.00 -1.26 -4.96 120.51 119.35 1jgw n ALA 106 Ca 0.34 -0.28 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 1jgw n ALA 106 Cb 1.22 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 19.63 1jgw n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jgw n ALA 107 N -2.20 -0.17 -1.58 0.00 0.00 -1.26 -4.93 120.51 110.37 1jgw n ALA 107 Ca -0.01 0.21 -0.33 0.00 0.00 0.00 0.00 53.44 53.31 1jgw n ALA 107 Cb 0.57 -2.02 0.03 0.00 0.00 0.00 0.00 19.45 18.03 1jgw n ALA 107 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jgw s PRO 108 N -1.97 3.01 0.09 0.00 0.04 -1.26 -4.17 135.00 130.75 1jgw s PRO 108 Ca 0.64 1.30 -0.22 0.00 0.04 0.00 0.00 61.00 62.76 1jgw s PRO 108 Cb -0.56 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 31.93 1jgw s PRO 108 CO 0.56 -1.07 1.37 -0.07 0.04 0.00 0.00 177.00 177.83 1jgw h LEU 109 N 0.17 -1.33 -0.50 -3.56 3.38 -1.91 0.18 115.31 111.73 1jgw h LEU 109 Ca -0.47 0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1jgw h LEU 109 Cb 1.23 0.56 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1jgw h LEU 109 CO 0.55 -0.24 0.00 0.29 0.09 0.00 0.00 178.44 179.14 1jgw n LYS 110 N -4.52 0.31 0.00 1.13 5.02 -1.26 -1.91 118.16 116.93 1jgw n LYS 110 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1jgw n LYS 110 Cb 0.21 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 1jgw n LYS 110 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1jgw n GLU 111 N -0.08 -0.27 0.00 1.97 -0.58 0.54 -4.98 120.64 117.25 1jgw n GLU 111 Ca 0.00 -0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 1jgw n GLU 111 Cb 0.04 -0.67 0.00 0.00 -0.57 0.00 0.00 31.44 30.24 1jgw n GLU 111 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jgw n GLY 112 N 0.01 0.34 0.10 0.62 0.00 -0.80 -3.30 105.19 102.17 1jgw n GLY 112 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1jgw n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jgw h GLY 113 N 0.00 0.26 1.22 -0.02 0.00 -0.87 -2.01 103.07 101.64 1jgw h GLY 113 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1jgw h GLY 113 CO 0.00 0.10 0.51 -2.00 0.00 0.00 0.00 176.54 175.15 1jgw h LEU 114 N 0.21 0.92 0.29 3.11 5.85 -1.82 -0.67 115.31 123.20 1jgw h LEU 114 Ca 0.06 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1jgw h LEU 114 Cb 0.02 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1jgw h LEU 114 CO -0.01 0.68 -0.25 -0.25 -0.34 0.00 0.00 178.44 178.26 1jgw h TRP 115 N 1.08 -0.67 -0.47 1.25 7.01 -1.75 0.43 115.95 122.83 1jgw h TRP 115 Ca 0.29 0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.39 1jgw h TRP 115 Cb -0.10 0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.19 1jgw h TRP 115 CO 0.00 -0.38 0.32 -0.07 -2.79 0.00 0.00 178.44 175.53 1jgw h LEU 116 N -0.56 0.17 0.12 0.65 3.38 -0.75 0.32 115.31 118.63 1jgw h LEU 116 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jgw h LEU 116 Cb 0.50 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1jgw h LEU 116 CO -0.03 0.10 -0.06 0.40 0.09 0.00 0.00 178.44 178.94 1jgw h ILE 117 N 0.18 0.91 -0.90 1.22 2.04 -0.17 -2.41 117.51 118.39 1jgw h ILE 117 Ca 0.22 -1.30 0.12 0.00 1.00 0.00 0.00 64.86 64.89 1jgw h ILE 117 Cb 0.62 1.58 -0.08 0.00 -0.74 0.00 0.00 36.82 38.20 1jgw h ILE 117 CO -0.04 0.26 0.52 0.00 0.00 0.00 0.00 178.15 178.89 1jgw h ALA 118 N -0.32 1.33 0.13 1.87 0.00 0.57 -1.86 119.26 120.99 1jgw h ALA 118 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1jgw h ALA 118 Cb 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jgw h ALA 118 CO 0.03 0.09 -0.06 0.77 0.00 0.00 0.00 179.25 180.07 1jgw h SER 119 N 0.82 -0.15 -0.93 0.00 0.02 -0.47 -1.92 113.55 110.92 1jgw h SER 119 Ca 0.45 -0.07 0.23 0.00 -0.84 0.00 0.00 61.79 61.56 1jgw h SER 119 Cb 0.50 0.04 -0.12 0.00 0.14 0.00 0.00 62.40 62.95 1jgw h SER 119 CO -0.29 -0.03 0.46 0.15 -1.14 0.00 0.00 176.83 175.99 1jgw h PHE 120 N -0.27 0.78 0.17 3.45 3.57 -0.81 0.42 116.94 124.25 1jgw h PHE 120 Ca -0.02 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1jgw h PHE 120 Cb 0.21 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1jgw h PHE 120 CO -0.04 -0.01 -0.08 0.74 -2.23 0.00 0.00 178.31 176.69 1jgw h PHE 121 N 0.46 -0.21 -0.15 0.41 0.04 -1.17 -2.16 116.94 114.17 1jgw h PHE 121 Ca 0.59 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 61.39 1jgw h PHE 121 Cb 1.11 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.33 1jgw h PHE 121 CO -0.09 0.09 0.11 1.98 -0.60 0.00 0.00 178.31 179.80 1jgw h MET 122 N -0.53 0.00 -0.21 1.51 4.05 -0.28 0.39 114.93 119.86 1jgw h MET 122 Ca -0.02 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.26 1jgw h MET 122 Cb 0.40 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1jgw h MET 122 CO 0.04 0.00 -0.44 0.35 0.23 0.00 0.00 176.91 177.09 1jgw h PHE 123 N 0.00 0.61 0.11 1.39 3.04 0.03 -1.74 116.94 120.38 1jgw h PHE 123 Ca 0.07 -0.19 -0.25 0.00 3.98 0.00 0.00 57.97 61.59 1jgw h PHE 123 Cb 0.29 -0.13 0.03 0.00 2.56 0.00 0.00 35.95 38.70 1jgw h PHE 123 CO 0.00 0.86 -1.04 0.28 -2.02 0.00 0.00 178.31 176.40 1jgw h VAL 124 N 0.42 1.36 -0.26 1.41 2.07 -0.35 -3.06 116.25 117.84 1jgw h VAL 124 Ca 0.03 -2.42 0.05 0.00 0.82 0.00 0.00 66.70 65.18 1jgw h VAL 124 Cb 0.94 2.82 -0.05 0.00 -1.52 0.00 0.00 31.29 33.48 1jgw h VAL 124 CO 0.08 0.72 -0.04 0.00 0.02 0.00 0.00 177.57 178.35 1jgw h ALA 125 N 0.23 0.19 0.16 1.67 0.00 -0.26 -2.35 119.26 118.90 1jgw h ALA 125 Ca -0.16 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1jgw h ALA 125 Cb 1.75 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1jgw h ALA 125 CO 0.20 -0.45 -0.07 0.28 0.00 0.00 0.00 179.25 179.20 1jgw h VAL 126 N 0.02 0.98 -0.20 0.00 2.07 -1.43 -2.88 116.25 114.82 1jgw h VAL 126 Ca 0.12 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1jgw h VAL 126 Cb 0.18 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1jgw h VAL 126 CO -0.25 0.19 0.00 -0.50 0.02 0.00 0.00 177.57 177.04 1jgw h TRP 127 N -0.64 0.28 -0.04 1.57 4.06 -1.56 -1.34 115.95 118.29 1jgw h TRP 127 Ca -0.02 -0.01 -0.17 0.00 2.06 0.00 0.00 58.89 60.75 1jgw h TRP 127 Cb 0.48 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.54 1jgw h TRP 127 CO 0.06 0.29 -0.73 0.66 -3.56 0.00 0.00 178.44 175.16 1jgw h SER 128 N 0.28 0.27 -0.05 -3.49 4.64 -1.49 -2.58 113.55 111.13 1jgw h SER 128 Ca 0.07 -0.18 -0.10 0.00 -0.47 0.00 0.00 61.79 61.10 1jgw h SER 128 Cb 0.19 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1jgw h SER 128 CO 0.00 0.90 -0.29 -0.25 -0.87 0.00 0.00 176.83 176.33 1jgw h TRP 129 N 0.15 0.57 -0.43 4.77 2.91 -1.16 -1.41 115.95 121.34 1jgw h TRP 129 Ca -0.02 -0.13 -0.03 0.00 1.13 0.00 0.00 58.89 59.84 1jgw h TRP 129 Cb 1.29 -0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 29.79 1jgw h TRP 129 CO 0.03 0.74 0.16 2.35 -1.03 0.00 0.00 178.44 180.68 1jgw h TRP 130 N 0.43 0.66 0.00 2.65 7.01 -1.07 -1.13 115.95 124.51 1jgw h TRP 130 Ca 0.06 -0.06 -0.04 0.00 2.11 0.00 0.00 58.89 60.96 1jgw h TRP 130 Cb 0.73 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.59 1jgw h TRP 130 CO 0.02 0.59 -0.18 0.78 -2.79 0.00 0.00 178.44 176.87 1jgw h GLY 131 N 0.55 0.00 0.96 2.65 0.00 -1.18 -2.27 103.07 103.78 1jgw h GLY 131 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 1jgw h GLY 131 CO -0.01 0.00 -0.10 -0.09 0.00 0.00 0.00 176.54 176.34 1jgw h ARG 132 N 0.00 0.73 0.00 4.80 2.43 -0.13 0.02 114.38 122.24 1jgw h ARG 132 Ca -0.00 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1jgw h ARG 132 Cb 0.36 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1jgw h ARG 132 CO 0.02 0.88 0.00 0.25 -1.51 0.00 0.00 179.97 179.62 1jgw n THR 133 N -4.36 0.74 -0.09 0.20 -2.24 -0.56 -1.05 114.28 106.91 1jgw n THR 133 Ca -0.02 0.10 -0.17 0.00 -2.27 0.00 0.00 64.05 61.69 1jgw n THR 133 Cb 0.36 -0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 67.54 1jgw n THR 133 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1jgw h TYR 134 N 0.00 0.00 -0.71 4.78 5.03 -1.19 -3.32 116.97 121.56 1jgw h TYR 134 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1jgw h TYR 134 Cb 0.44 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.68 1jgw h TYR 134 CO 0.00 1.14 0.45 -0.07 -1.32 0.00 0.00 178.16 178.35 1jgw h LEU 135 N -1.00 0.83 -2.45 2.82 4.07 -0.93 -1.89 115.31 116.77 1jgw h LEU 135 Ca -0.22 -0.04 -0.00 0.00 0.08 0.00 0.00 57.88 57.70 1jgw h LEU 135 Cb 1.08 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.61 1jgw h LEU 135 CO -0.13 0.63 -0.01 0.03 -1.08 0.00 0.00 178.44 177.87 1jgw h ARG 136 N 0.96 0.00 0.12 1.13 2.47 -1.28 -1.75 114.38 116.04 1jgw h ARG 136 Ca 0.26 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.64 1jgw h ARG 136 Cb -0.07 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 1jgw h ARG 136 CO -0.05 0.01 -1.73 0.00 0.56 0.00 0.00 179.97 178.76 1jgw h ALA 137 N 1.99 0.34 0.21 0.04 0.00 -1.49 -3.34 119.26 117.01 1jgw h ALA 137 Ca -0.00 -1.23 -0.00 0.00 0.00 0.00 0.00 54.91 53.67 1jgw h ALA 137 Cb 0.17 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1jgw h ALA 137 CO 0.00 1.21 -0.16 0.37 0.00 0.00 0.00 179.25 180.67 1jgw h GLN 138 N 0.07 -0.36 -0.99 0.00 4.15 -0.61 -0.78 115.11 116.59 1jgw h GLN 138 Ca -0.32 0.02 0.24 0.00 0.77 0.00 0.00 58.65 59.36 1jgw h GLN 138 Cb 2.04 0.08 -0.08 0.00 0.21 0.00 0.00 27.48 29.73 1jgw h GLN 138 CO 0.14 -0.24 0.65 0.00 -1.93 0.00 0.00 178.83 177.45 1jgw h ALA 139 N 0.39 2.23 -0.01 3.38 0.00 -1.51 0.24 119.26 123.99 1jgw h ALA 139 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jgw h ALA 139 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1jgw h ALA 139 CO -0.01 -0.59 -0.42 1.28 0.00 0.00 0.00 179.25 179.52 1jgw n LEU 140 N -4.57 1.14 -0.52 0.00 4.77 -0.98 -1.48 117.00 115.36 1jgw n LEU 140 Ca 0.23 -0.34 -0.05 0.00 -0.03 0.00 0.00 56.01 55.82 1jgw n LEU 140 Cb 0.81 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.79 1jgw n LEU 140 CO 0.28 0.23 -0.06 0.61 -1.33 0.00 0.00 177.39 177.12 1jgw n GLY 141 N 1.40 0.20 3.98 -0.72 0.00 0.84 -4.94 105.19 105.96 1jgw n GLY 141 Ca 0.10 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 1jgw n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jgw s MET 142 N -4.15 3.02 0.89 1.61 -1.94 -0.49 -5.02 119.30 113.21 1jgw s MET 142 Ca 0.00 -0.91 -0.11 0.00 -1.71 0.00 0.00 55.69 52.96 1jgw s MET 142 Cb 0.00 -2.73 0.12 0.00 2.01 0.00 0.00 34.83 34.23 1jgw s MET 142 CO 0.00 -0.12 1.10 0.20 -0.01 0.00 0.00 175.02 176.20 1jgw s GLY 143 N -4.23 1.66 -0.12 -0.03 0.00 -1.26 -4.55 107.32 98.79 1jgw s GLY 143 Ca 0.48 0.27 0.09 0.00 0.00 0.00 0.00 44.72 45.56 1jgw s GLY 143 CO 0.33 0.71 1.23 0.28 0.00 0.00 0.00 173.10 175.66 1jgw n LYS 144 N -3.98 3.11 -0.26 2.90 4.76 -1.26 -4.59 118.16 118.84 1jgw n LYS 144 Ca 0.09 -1.78 0.07 0.00 -2.87 0.00 0.00 58.31 53.81 1jgw n LYS 144 Cb 0.53 -1.87 0.19 0.00 -1.84 0.00 0.00 35.03 32.04 1jgw n LYS 144 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1jgw h HIS 145 N 2.33 0.29 -0.75 2.13 3.86 -1.97 -1.63 115.15 119.40 1jgw h HIS 145 Ca 0.00 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1jgw h HIS 145 Cb 1.27 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.69 1jgw h HIS 145 CO 0.59 -0.10 0.40 1.15 0.86 0.00 0.00 177.93 180.83 1jgw h THR 146 N 0.27 1.23 -0.37 2.45 2.02 -1.92 -1.42 112.91 115.17 1jgw h THR 146 Ca 0.43 -0.59 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 1jgw h THR 146 Cb 0.76 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1jgw h THR 146 CO -0.53 0.26 0.05 0.00 0.37 0.00 0.00 175.52 175.67 1jgw h ALA 147 N 1.20 0.49 -0.57 6.16 0.00 -1.55 -1.89 119.26 123.10 1jgw h ALA 147 Ca 0.26 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1jgw h ALA 147 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1jgw h ALA 147 CO -0.04 0.21 0.08 -1.49 0.00 0.00 0.00 179.25 178.01 1jgw h TRP 148 N 0.46 1.03 -0.47 0.00 -0.00 -1.27 -1.85 115.95 113.85 1jgw h TRP 148 Ca 0.11 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.89 58.83 1jgw h TRP 148 Cb 0.38 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.16 29.24 1jgw h TRP 148 CO 0.03 0.90 0.22 0.00 -0.00 0.00 0.00 178.44 179.59 1jgw h ALA 149 N 1.00 0.61 0.00 1.49 0.00 -1.20 -2.57 119.26 118.58 1jgw h ALA 149 Ca 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1jgw h ALA 149 Cb 0.44 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1jgw h ALA 149 CO 0.01 0.18 -0.09 0.35 0.00 0.00 0.00 179.25 179.70 1jgw h PHE 150 N 0.61 0.00 -0.61 0.00 3.57 -1.14 -1.58 116.94 117.79 1jgw h PHE 150 Ca 0.16 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1jgw h PHE 150 Cb 0.14 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1jgw h PHE 150 CO -0.01 0.09 0.30 1.25 -2.23 0.00 0.00 178.31 177.71 1jgw h LEU 151 N 0.00 0.77 -1.74 0.59 5.85 -0.91 -1.77 115.31 118.10 1jgw h LEU 151 Ca -0.00 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1jgw h LEU 151 Cb 0.17 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1jgw h LEU 151 CO 0.01 0.66 0.09 -1.28 -0.34 0.00 0.00 178.44 177.57 1jgw h SER 152 N 0.86 0.22 0.40 1.25 0.87 -1.28 0.69 113.55 116.57 1jgw h SER 152 Ca 0.21 -0.01 -0.27 0.00 -1.23 0.00 0.00 61.79 60.49 1jgw h SER 152 Cb 0.09 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1jgw h SER 152 CO -0.03 0.20 -1.20 0.00 -0.53 0.00 0.00 176.83 175.28 1jgw h ALA 153 N 1.84 0.11 -0.65 6.23 0.00 -1.40 -3.18 119.26 122.21 1jgw h ALA 153 Ca 0.07 -0.81 -0.05 0.00 0.00 0.00 0.00 54.91 54.12 1jgw h ALA 153 Cb 0.04 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1jgw h ALA 153 CO -0.01 0.84 0.21 0.82 0.00 0.00 0.00 179.25 181.10 1jgw h ILE 154 N 0.17 1.24 -0.15 0.00 2.04 -0.53 -2.64 117.51 117.64 1jgw h ILE 154 Ca -0.15 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 64.92 1jgw h ILE 154 Cb 1.88 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 38.43 1jgw h ILE 154 CO 0.21 0.32 -0.38 -0.25 0.00 0.00 0.00 178.15 178.05 1jgw h TRP 155 N 0.96 -1.15 -0.71 1.37 -0.00 -0.88 1.91 115.95 117.45 1jgw h TRP 155 Ca 0.21 0.05 0.05 0.00 -0.00 0.00 0.00 58.89 59.20 1jgw h TRP 155 Cb 0.26 0.52 -0.05 0.00 -0.00 0.00 0.00 29.16 29.89 1jgw h TRP 155 CO 0.02 -0.37 0.42 1.25 -0.00 0.00 0.00 178.44 179.76 1jgw h LEU 156 N -0.37 0.65 0.17 0.65 5.85 -1.59 0.18 115.31 120.84 1jgw h LEU 156 Ca 0.03 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1jgw h LEU 156 Cb 0.46 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1jgw h LEU 156 CO -0.34 0.42 -0.09 -0.25 -0.34 0.00 0.00 178.44 177.84 1jgw h TRP 157 N 0.78 -0.24 -0.79 1.25 7.01 -0.97 -1.02 115.95 121.97 1jgw h TRP 157 Ca 0.31 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.37 1jgw h TRP 157 Cb 0.15 0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.24 1jgw h TRP 157 CO -0.06 -0.15 0.52 0.52 -2.79 0.00 0.00 178.44 176.48 1jgw h MET 158 N -0.25 0.85 -0.26 2.65 2.86 0.38 -2.65 114.93 118.51 1jgw h MET 158 Ca -0.02 -0.05 -0.19 0.00 -2.06 0.00 0.00 59.70 57.38 1jgw h MET 158 Cb 0.20 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1jgw h MET 158 CO 0.02 0.56 -0.58 0.28 1.06 0.00 0.00 176.91 178.25 1jgw h VAL 159 N 0.88 1.28 -0.38 -2.22 2.07 -0.33 -1.27 116.25 116.28 1jgw h VAL 159 Ca 0.34 -1.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.04 1jgw h VAL 159 Cb 0.20 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1jgw h VAL 159 CO -0.12 0.57 0.08 -0.07 0.02 0.00 0.00 177.57 178.06 1jgw h LEU 160 N 0.64 0.59 -1.28 2.57 3.38 -0.85 -2.33 115.31 118.04 1jgw h LEU 160 Ca 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1jgw h LEU 160 Cb 1.19 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1jgw h LEU 160 CO 0.13 0.69 -0.04 0.61 0.09 0.00 0.00 178.44 179.91 1jgw n GLY 161 N -0.54 -0.35 1.15 0.83 0.00 -1.09 -4.30 105.19 100.90 1jgw n GLY 161 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1jgw n GLY 161 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1jgw n PHE 162 N 0.42 0.00 0.06 1.61 7.35 -0.58 -4.80 117.46 121.52 1jgw n PHE 162 Ca 0.06 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.64 1jgw n PHE 162 Cb 0.25 0.16 -0.05 0.00 0.35 0.00 0.00 39.48 40.20 1jgw n PHE 162 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1jgw h ILE 163 N 0.00 0.48 -0.06 -2.13 2.04 -1.42 -2.53 117.51 113.89 1jgw h ILE 163 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1jgw h ILE 163 Cb 0.00 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1jgw h ILE 163 CO 0.00 0.00 0.03 -0.09 0.00 0.00 0.00 178.15 178.09 1jgw h ARG 164 N -0.36 0.09 -0.97 2.37 2.43 -1.66 -1.72 114.38 114.56 1jgw h ARG 164 Ca 0.06 -0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.38 1jgw h ARG 164 Cb 0.43 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.87 1jgw h ARG 164 CO -0.20 0.16 0.58 -1.35 -1.51 0.00 0.00 179.97 177.66 1jgw h PRO 165 N -0.01 0.78 0.74 0.20 0.11 -1.76 0.17 132.00 132.22 1jgw h PRO 165 Ca 0.02 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 1jgw h PRO 165 Cb 0.10 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 31.04 1jgw h PRO 165 CO -0.00 0.52 -0.35 0.82 -0.21 0.00 0.00 178.00 178.77 1jgw h ILE 166 N 0.80 0.10 -0.93 4.15 2.04 -1.18 0.40 117.51 122.89 1jgw h ILE 166 Ca 0.53 -0.24 0.25 0.00 1.00 0.00 0.00 64.86 66.41 1jgw h ILE 166 Cb 0.73 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 1jgw h ILE 166 CO -0.35 0.01 0.65 -0.07 0.00 0.00 0.00 178.15 178.39 1jgw h LEU 167 N -1.20 0.14 -0.10 1.44 3.38 -0.89 0.19 115.31 118.27 1jgw h LEU 167 Ca -0.10 0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.64 1jgw h LEU 167 Cb 0.78 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.53 1jgw h LEU 167 CO 0.17 0.05 -1.00 0.24 0.09 0.00 0.00 178.44 177.98 1jgw h MET 168 N 0.13 0.50 0.00 1.13 2.86 -0.42 -3.48 114.93 115.65 1jgw h MET 168 Ca 0.46 -0.55 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1jgw h MET 168 Cb 1.60 0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.42 1jgw h MET 168 CO -0.07 1.19 0.00 0.41 1.06 0.00 0.00 176.91 179.49 1jgw n GLY 169 N 1.03 1.06 3.60 8.32 0.00 0.66 -5.09 105.19 114.77 1jgw n GLY 169 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1jgw n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jgw s SER 170 N -1.32 -0.56 0.00 1.61 1.04 -0.70 -3.83 113.70 109.94 1jgw s SER 170 Ca 0.00 0.91 0.07 0.00 0.48 0.00 0.00 55.95 57.41 1jgw s SER 170 Cb 0.00 0.86 0.37 0.00 0.10 0.00 0.00 66.02 67.36 1jgw s SER 170 CO 0.00 -0.31 0.93 0.79 0.98 0.00 0.00 173.24 175.63 1jgw n TRP 171 N 1.78 0.00 -0.05 5.02 5.03 -0.72 -2.46 117.44 126.05 1jgw n TRP 171 Ca -0.14 0.00 -0.06 0.00 3.03 0.00 0.00 57.50 60.33 1jgw n TRP 171 Cb 0.56 -0.10 0.12 0.00 -1.03 0.00 0.00 31.31 30.86 1jgw n TRP 171 CO 0.00 0.00 0.00 1.03 -0.03 0.00 0.00 177.69 178.69 1jgw h SER 172 N 0.00 0.67 0.12 -0.99 0.87 -1.80 -2.89 113.55 109.54 1jgw h SER 172 Ca 0.00 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1jgw h SER 172 Cb 0.02 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1jgw h SER 172 CO 0.00 0.91 0.00 -0.62 -0.53 0.00 0.00 176.83 176.59 1jgw n GLU 173 N -4.10 0.45 -1.88 2.24 -0.58 -1.03 -4.84 120.64 110.90 1jgw n GLU 173 Ca -0.00 0.05 -0.30 0.00 -0.42 0.00 0.00 57.16 56.49 1jgw n GLU 173 Cb 0.44 -1.50 0.18 0.00 -0.57 0.00 0.00 31.44 29.99 1jgw n GLU 173 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jgw s ALA 174 N -2.22 2.18 -0.00 0.62 0.00 -1.09 -4.79 121.76 116.46 1jgw s ALA 174 Ca 0.23 -1.13 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 1jgw s ALA 174 Cb 0.12 -2.80 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 1jgw s ALA 174 CO 0.23 -2.42 0.33 0.08 0.00 0.00 0.00 175.76 173.98 1jgw s VAL 175 N -3.81 5.18 0.40 0.00 1.01 -1.26 -4.94 120.40 116.99 1jgw s VAL 175 Ca 0.73 0.51 -0.12 0.00 0.00 0.00 0.00 61.98 63.09 1jgw s VAL 175 Cb -0.05 -3.61 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 1jgw s VAL 175 CO 0.53 0.48 0.79 -2.16 0.00 0.00 0.00 175.10 174.75 1jgw s PRO 176 N -1.38 3.86 -0.80 2.72 0.04 -1.26 -4.83 135.00 133.35 1jgw s PRO 176 Ca 0.25 0.59 -0.19 0.00 0.04 0.00 0.00 61.00 61.68 1jgw s PRO 176 Cb -0.15 -2.36 0.12 0.00 0.04 0.00 0.00 34.50 32.15 1jgw s PRO 176 CO 0.13 -0.03 0.98 0.71 0.04 0.00 0.00 177.00 178.84 1jgw s TYR 177 N -2.32 3.07 -0.21 0.56 2.02 -0.91 -4.43 117.35 115.13 1jgw s TYR 177 Ca 0.53 -1.20 -0.29 0.00 -0.37 0.00 0.00 57.07 55.74 1jgw s TYR 177 Cb -0.10 -4.19 0.15 0.00 -0.40 0.00 0.00 41.96 37.41 1jgw s TYR 177 CO 0.28 -1.44 1.13 0.20 -1.57 0.00 0.00 175.55 174.15 1jgw s GLY 178 N 3.50 -0.12 0.00 0.71 0.00 -1.26 -2.42 107.32 107.72 1jgw s GLY 178 Ca 0.25 2.38 0.00 0.00 0.00 0.00 0.00 44.72 47.36 1jgw s GLY 178 CO -0.03 1.15 0.46 1.39 0.00 0.00 0.00 173.10 176.08 1jgw n ILE 179 N 0.80 0.00 -0.02 0.90 2.08 -1.26 -1.56 119.36 120.31 1jgw n ILE 179 Ca -0.07 0.96 0.06 0.00 0.56 0.00 0.00 62.75 64.26 1jgw n ILE 179 Cb 0.58 -1.96 0.44 0.00 -0.75 0.00 0.00 39.64 37.95 1jgw n ILE 179 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 1jgw h PHE 180 N 0.00 0.51 -0.53 1.39 0.04 -1.81 -2.86 116.94 113.68 1jgw h PHE 180 Ca 0.00 0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.88 1jgw h PHE 180 Cb 0.00 -0.17 -0.08 0.00 2.20 0.00 0.00 35.95 37.90 1jgw h PHE 180 CO 0.00 0.30 0.03 1.03 -0.60 0.00 0.00 178.31 179.07 1jgw h SER 181 N 0.53 -0.16 0.94 2.17 0.87 -1.75 -0.92 113.55 115.23 1jgw h SER 181 Ca 0.18 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1jgw h SER 181 Cb 0.08 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1jgw h SER 181 CO -0.05 -0.05 -0.05 0.00 -0.53 0.00 0.00 176.83 176.15 1jgw n HIS 182 N -5.21 0.00 0.02 2.24 1.44 -0.60 -2.35 115.22 110.77 1jgw n HIS 182 Ca 0.06 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.59 1jgw n HIS 182 Cb 0.29 -0.47 -0.12 0.00 0.12 0.00 0.00 29.99 29.80 1jgw n HIS 182 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1jgw h LEU 183 N 0.00 0.57 -0.55 2.39 3.38 -1.17 -2.81 115.31 117.12 1jgw h LEU 183 Ca 0.00 -0.81 -0.05 0.00 0.09 0.00 0.00 57.88 57.12 1jgw h LEU 183 Cb 0.50 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1jgw h LEU 183 CO 0.00 1.31 0.16 0.44 0.09 0.00 0.00 178.44 180.44 1jgw h ASP 184 N -0.10 0.81 -0.48 -0.43 3.32 -1.21 -1.84 116.42 116.49 1jgw h ASP 184 Ca -0.10 -0.22 0.09 0.00 0.02 0.00 0.00 57.03 56.82 1jgw h ASP 184 Cb 1.46 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 40.72 1jgw h ASP 184 CO 0.14 0.82 0.01 -0.25 -1.72 0.00 0.00 179.24 178.24 1jgw h TRP 185 N 0.77 -0.00 -0.05 4.55 7.01 -1.52 0.76 115.95 127.47 1jgw h TRP 185 Ca 0.18 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.22 1jgw h TRP 185 Cb 0.31 0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 1jgw h TRP 185 CO 0.02 -0.09 -0.04 1.15 -2.79 0.00 0.00 178.44 176.69 1jgw h THR 186 N 0.13 0.89 -0.89 2.65 2.02 -1.19 0.17 112.91 116.68 1jgw h THR 186 Ca 0.24 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.44 1jgw h THR 186 Cb 0.36 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 1jgw h THR 186 CO -0.39 0.00 0.58 -1.13 0.37 0.00 0.00 175.52 174.95 1jgw h ASN 187 N -0.04 1.00 0.56 4.18 -1.24 -0.76 -2.83 115.58 116.44 1jgw h ASN 187 Ca 0.03 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.00 1jgw h ASN 187 Cb 0.09 -0.24 0.01 0.00 0.73 0.00 0.00 38.32 38.91 1jgw h ASN 187 CO -0.08 0.71 -0.27 0.78 -1.29 0.00 0.00 177.43 177.29 1jgw h ASN 188 N 1.17 -0.63 -0.94 1.15 4.21 -0.41 -2.75 115.58 117.38 1jgw h ASN 188 Ca 0.34 0.01 0.23 0.00 1.21 0.00 0.00 56.30 58.09 1jgw h ASN 188 Cb -0.08 0.16 -0.17 0.00 -1.12 0.00 0.00 38.32 37.11 1jgw h ASN 188 CO -0.09 -0.43 -0.03 0.15 -1.29 0.00 0.00 177.43 175.74 1jgw h PHE 189 N -0.78 -0.14 0.87 1.19 3.04 -0.45 0.03 116.94 120.69 1jgw h PHE 189 Ca -0.08 0.07 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 1jgw h PHE 189 Cb 0.59 0.21 0.01 0.00 2.56 0.00 0.00 35.95 39.32 1jgw h PHE 189 CO -0.03 -0.39 -0.42 1.03 -2.02 0.00 0.00 178.31 176.48 1jgw h SER 190 N 0.03 -0.99 -0.46 0.41 0.87 -1.33 -2.79 113.55 109.29 1jgw h SER 190 Ca 0.53 0.03 0.09 0.00 -1.23 0.00 0.00 61.79 61.22 1jgw h SER 190 Cb 1.02 0.26 -0.09 0.00 -0.44 0.00 0.00 62.40 63.14 1jgw h SER 190 CO -0.89 -0.70 -0.16 -0.07 -0.53 0.00 0.00 176.83 174.48 1jgw h LEU 191 N -1.17 -0.58 -1.25 2.23 3.38 -0.77 -1.12 115.31 116.02 1jgw h LEU 191 Ca -0.12 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1jgw h LEU 191 Cb 0.89 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1jgw h LEU 191 CO 0.20 -0.20 0.00 0.52 0.09 0.00 0.00 178.44 179.05 1jgw n VAL 192 N -5.37 0.95 -1.00 1.22 0.31 -0.26 -1.92 118.33 112.26 1jgw n VAL 192 Ca 0.04 0.59 0.09 0.00 -0.01 0.00 0.00 64.34 65.04 1jgw n VAL 192 Cb 0.28 -1.57 0.22 0.00 -0.91 0.00 0.00 33.84 31.86 1jgw n VAL 192 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1jgw n HIS 193 N -2.28 0.62 -2.93 3.52 8.25 -0.52 -4.86 115.22 117.02 1jgw n HIS 193 Ca -0.00 -0.91 -0.11 0.00 -0.26 0.00 0.00 57.72 56.44 1jgw n HIS 193 Cb 0.10 -0.25 0.04 0.00 1.12 0.00 0.00 29.99 30.99 1jgw n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jgw n GLY 194 N -0.80 0.15 1.14 -1.41 0.00 -0.81 -0.64 105.19 102.83 1jgw n GLY 194 Ca 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1jgw n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jgw n ASN 195 N -1.20 -3.54 0.21 1.61 2.85 -0.62 -3.33 115.26 111.24 1jgw n ASN 195 Ca -0.05 0.36 0.15 0.00 -0.11 0.00 0.00 54.58 54.93 1jgw n ASN 195 Cb 0.55 -1.87 0.58 0.00 1.24 0.00 0.00 39.78 40.28 1jgw n ASN 195 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1jgw h LEU 196 N 0.89 0.00 -1.52 1.20 4.07 -1.86 -2.67 115.31 115.42 1jgw h LEU 196 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1jgw h LEU 196 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1jgw h LEU 196 CO 0.00 0.00 0.00 -0.26 -1.08 0.00 0.00 178.44 177.10 1jgw h PHE 197 N 0.00 0.00 -0.00 1.13 0.04 -1.96 0.14 116.94 116.29 1jgw h PHE 197 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1jgw h PHE 197 Cb 0.48 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.63 1jgw h PHE 197 CO 0.00 0.00 -0.41 0.66 -0.60 0.00 0.00 178.31 177.96 1jgw n TYR 198 N -2.34 0.00 -2.73 -0.55 4.01 -1.01 -4.79 117.16 109.75 1jgw n TYR 198 Ca -0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.30 1jgw n TYR 198 Cb 0.06 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 38.88 1jgw n TYR 198 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1jgw s ASN 199 N -2.77 6.87 0.41 7.72 3.84 0.50 -4.82 114.94 126.69 1jgw s ASN 199 Ca 0.17 0.97 0.10 0.00 0.21 0.00 0.00 52.86 54.32 1jgw s ASN 199 Cb 0.18 -2.50 0.87 0.00 -0.55 0.00 0.00 41.25 39.25 1jgw s ASN 199 CO 0.62 -0.78 1.97 1.55 -2.79 0.00 0.00 177.10 177.68 1jgw h PRO 200 N 8.02 0.24 0.00 0.43 0.13 -1.86 -2.32 132.00 136.65 1jgw h PRO 200 Ca -0.21 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.80 1jgw h PRO 200 Cb 1.07 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1jgw h PRO 200 CO 0.98 0.31 -0.34 0.74 -0.23 0.00 0.00 178.00 179.47 1jgw h PHE 201 N 0.24 0.00 -0.15 1.56 0.04 -1.92 -2.10 116.94 114.61 1jgw h PHE 201 Ca 0.05 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 1jgw h PHE 201 Cb 0.25 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.40 1jgw h PHE 201 CO 0.00 0.34 -0.11 1.25 -0.60 0.00 0.00 178.31 179.19 1jgw h HIS 202 N 0.00 0.39 0.00 -0.55 2.76 -1.72 -0.63 115.15 115.40 1jgw h HIS 202 Ca -0.00 -0.11 -0.03 0.00 -2.20 0.00 0.00 60.37 58.02 1jgw h HIS 202 Cb 0.75 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.62 1jgw h HIS 202 CO 0.00 0.70 -0.16 0.78 -1.30 0.00 0.00 177.93 177.95 1jgw h GLY 203 N -0.03 0.00 0.60 5.26 0.00 -1.24 -1.46 103.07 106.20 1jgw h GLY 203 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.24 1jgw h GLY 203 CO 0.03 0.00 -0.49 -2.00 0.00 0.00 0.00 176.54 174.08 1jgw h LEU 204 N 0.00 0.38 -0.89 3.11 5.85 -1.25 -2.72 115.31 119.79 1jgw h LEU 204 Ca -0.00 -0.83 0.09 0.00 0.84 0.00 0.00 57.88 57.99 1jgw h LEU 204 Cb 0.41 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 1jgw h LEU 204 CO 0.02 1.16 0.54 -1.28 -0.34 0.00 0.00 178.44 178.54 1jgw h SER 205 N -0.36 0.79 -0.63 1.25 0.87 -0.58 -1.34 113.55 113.56 1jgw h SER 205 Ca -0.07 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.44 1jgw h SER 205 Cb 1.26 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 1jgw h SER 205 CO 0.09 0.46 0.05 0.40 -0.53 0.00 0.00 176.83 177.30 1jgw h ILE 206 N 0.90 1.26 -0.62 2.23 2.04 -1.31 -0.54 117.51 121.47 1jgw h ILE 206 Ca 0.42 -1.10 0.03 0.00 1.00 0.00 0.00 64.86 65.21 1jgw h ILE 206 Cb 0.35 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1jgw h ILE 206 CO -0.24 0.41 0.38 0.00 0.00 0.00 0.00 178.15 178.70 1jgw h ALA 207 N 1.04 0.81 -0.02 1.87 0.00 -0.94 0.25 119.26 122.27 1jgw h ALA 207 Ca 0.19 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1jgw h ALA 207 Cb 0.51 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1jgw h ALA 207 CO 0.02 0.11 -0.60 0.74 0.00 0.00 0.00 179.25 179.52 1jgw h PHE 208 N 0.74 0.08 -0.14 0.00 0.04 -1.02 0.49 116.94 117.12 1jgw h PHE 208 Ca 0.26 -0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.92 1jgw h PHE 208 Cb 0.04 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.18 1jgw h PHE 208 CO -0.06 0.65 -0.22 1.25 -0.60 0.00 0.00 178.31 179.33 1jgw h LEU 209 N 0.04 0.44 -0.75 1.54 5.85 -0.29 0.17 115.31 122.30 1jgw h LEU 209 Ca -0.01 -0.53 -0.09 0.00 0.84 0.00 0.00 57.88 58.09 1jgw h LEU 209 Cb 1.07 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1jgw h LEU 209 CO 0.08 0.88 -0.06 1.88 -0.34 0.00 0.00 178.44 180.89 1jgw h TYR 210 N 0.00 0.97 -0.39 1.25 0.05 -0.43 -2.69 116.97 115.74 1jgw h TYR 210 Ca 0.01 -0.17 -0.04 0.00 0.05 0.00 0.00 58.73 58.59 1jgw h TYR 210 Cb 0.79 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.26 1jgw h TYR 210 CO 0.10 0.91 0.08 0.78 -1.05 0.00 0.00 178.16 178.98 1jgw h GLY 211 N 0.98 0.61 1.08 3.88 0.00 0.21 -1.79 103.07 108.05 1jgw h GLY 211 Ca 0.14 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 1jgw h GLY 211 CO 0.03 0.31 0.03 1.76 0.00 0.00 0.00 176.54 178.67 1jgw h SER 212 N 0.56 1.05 -0.30 0.19 0.02 -0.35 -0.63 113.55 114.10 1jgw h SER 212 Ca 0.13 -0.29 -0.12 0.00 -0.84 0.00 0.00 61.79 60.66 1jgw h SER 212 Cb 0.23 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1jgw h SER 212 CO -0.00 1.09 -0.25 0.00 -1.14 0.00 0.00 176.83 176.52 1jgw h ALA 213 N 1.00 0.83 -0.10 3.77 0.00 -1.21 -1.86 119.26 121.69 1jgw h ALA 213 Ca 0.18 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1jgw h ALA 213 Cb 0.53 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1jgw h ALA 213 CO 0.03 0.64 0.01 1.25 0.00 0.00 0.00 179.25 181.18 1jgw h LEU 214 N 0.68 0.16 0.12 0.00 5.85 -1.10 -2.19 115.31 118.85 1jgw h LEU 214 Ca 0.09 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1jgw h LEU 214 Cb 0.78 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1jgw h LEU 214 CO 0.06 0.41 -0.06 0.25 -0.34 0.00 0.00 178.44 178.76 1jgw h LEU 215 N -0.09 -0.14 -1.46 2.25 5.85 -1.08 0.64 115.31 121.28 1jgw h LEU 215 Ca 0.03 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 1jgw h LEU 215 Cb 0.32 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1jgw h LEU 215 CO 0.00 0.03 -0.16 0.15 -0.34 0.00 0.00 178.44 178.12 1jgw h PHE 216 N -0.31 0.15 -0.42 1.25 3.04 -1.42 0.90 116.94 120.14 1jgw h PHE 216 Ca -0.02 -0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.84 1jgw h PHE 216 Cb 0.25 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.70 1jgw h PHE 216 CO -0.02 0.31 -0.05 0.00 -2.02 0.00 0.00 178.31 176.52 1jgw h ALA 217 N 1.70 0.57 0.27 2.41 0.00 -1.15 0.03 119.26 123.09 1jgw h ALA 217 Ca 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1jgw h ALA 217 Cb 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jgw h ALA 217 CO 0.02 0.41 -0.13 0.52 0.00 0.00 0.00 179.25 180.07 1jgw h MET 218 N 0.60 -0.35 -0.30 0.00 2.86 0.57 -2.30 114.93 116.01 1jgw h MET 218 Ca 0.11 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1jgw h MET 218 Cb 0.56 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1jgw h MET 218 CO 0.03 -0.06 0.18 1.25 1.06 0.00 0.00 176.91 179.38 1jgw h HIS 219 N -0.65 0.39 -0.14 -0.22 -0.00 0.78 -1.99 115.15 113.31 1jgw h HIS 219 Ca -0.04 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.32 1jgw h HIS 219 Cb 0.46 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 1jgw h HIS 219 CO 0.01 0.28 0.06 0.78 -0.00 0.00 0.00 177.93 179.07 1jgw h GLY 220 N 0.38 0.23 0.89 5.26 0.00 -1.07 -1.91 103.07 106.86 1jgw h GLY 220 Ca 0.11 -0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.36 1jgw h GLY 220 CO -0.02 0.12 0.62 0.00 0.00 0.00 0.00 176.54 177.26 1jgw h ALA 221 N 0.90 1.41 0.30 3.60 0.00 -1.34 -2.06 119.26 122.07 1jgw h ALA 221 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1jgw h ALA 221 Cb 0.17 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1jgw h ALA 221 CO -0.00 0.48 -0.14 1.15 0.00 0.00 0.00 179.25 180.74 1jgw h THR 222 N 1.17 0.74 -0.67 0.00 2.02 -1.16 0.13 112.91 115.14 1jgw h THR 222 Ca 0.39 -0.38 0.08 0.00 0.77 0.00 0.00 66.41 67.27 1jgw h THR 222 Cb 0.06 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1jgw h THR 222 CO -0.13 0.08 0.45 0.40 0.37 0.00 0.00 175.52 176.68 1jgw h ILE 223 N -0.60 0.97 0.00 3.11 1.08 -1.18 0.41 117.51 121.30 1jgw h ILE 223 Ca -0.04 -0.21 -0.07 0.00 -0.39 0.00 0.00 64.86 64.15 1jgw h ILE 223 Cb 0.43 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 1jgw h ILE 223 CO 0.07 0.11 -0.33 -0.07 -0.69 0.00 0.00 178.15 177.23 1jgw h LEU 224 N 0.62 0.00 -0.79 1.44 3.38 -1.19 -1.10 115.31 117.67 1jgw h LEU 224 Ca 0.30 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.14 1jgw h LEU 224 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1jgw h LEU 224 CO -0.10 0.33 -0.58 0.00 0.09 0.00 0.00 178.44 178.18 1jgw h ALA 225 N 1.67 0.99 -0.20 1.53 0.00 0.26 -3.14 119.26 120.36 1jgw h ALA 225 Ca -0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1jgw h ALA 225 Cb 1.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1jgw h ALA 225 CO 0.04 0.73 -0.01 1.33 0.00 0.00 0.00 179.25 181.34 1jgw n VAL 226 N -3.86 2.22 0.54 0.00 0.24 -0.28 -4.58 118.33 112.61 1jgw n VAL 226 Ca -0.02 -2.07 0.10 0.00 -2.04 0.00 0.00 64.34 60.31 1jgw n VAL 226 Cb 0.59 -0.26 0.41 0.00 -1.47 0.00 0.00 33.84 33.11 1jgw n VAL 226 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1jgw n SER 227 N -0.80 0.26 0.00 -1.34 3.41 -0.43 -2.16 113.62 112.57 1jgw n SER 227 Ca 0.21 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.51 1jgw n SER 227 Cb 0.85 -0.61 0.74 0.00 -0.26 0.00 0.00 64.21 64.92 1jgw n SER 227 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1jgw n ARG 228 N -1.78 0.72 -0.71 4.33 1.85 -1.26 -2.11 116.66 117.69 1jgw n ARG 228 Ca 0.04 0.01 0.05 0.00 -1.00 0.00 0.00 57.85 56.95 1jgw n ARG 228 Cb 0.23 -1.50 0.10 0.00 -1.05 0.00 0.00 32.46 30.24 1jgw n ARG 228 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1jgw n PHE 229 N -1.06 0.00 -2.26 2.89 3.72 -0.92 -4.99 117.46 114.85 1jgw n PHE 229 Ca 0.18 -0.82 -0.12 0.00 -0.05 0.00 0.00 57.45 56.64 1jgw n PHE 229 Cb 0.11 -0.16 -0.00 0.00 -0.94 0.00 0.00 39.48 38.49 1jgw n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jgw n GLY 230 N -0.52 -0.12 0.26 1.37 0.00 -0.89 -4.51 105.19 100.78 1jgw n GLY 230 Ca 0.11 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.84 1jgw n GLY 230 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jgw h GLY 231 N -0.05 0.00 2.00 -0.02 0.00 -1.64 -2.78 103.07 100.58 1jgw h GLY 231 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1jgw h GLY 231 CO 0.33 0.00 0.00 1.05 0.00 0.00 0.00 176.54 177.92 1jgw h GLU 232 N 0.00 0.00 -2.76 4.80 9.09 -1.85 -3.25 114.58 120.60 1jgw h GLU 232 Ca -0.00 0.00 -0.49 0.00 0.05 0.00 0.00 59.36 58.92 1jgw h GLU 232 Cb 0.05 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.15 1jgw h GLU 232 CO 0.00 0.00 2.44 0.54 0.05 0.00 0.00 179.01 182.05 1jgw n ARG 233 N -2.61 2.96 -0.30 1.06 1.74 -1.05 -4.68 116.66 113.78 1jgw n ARG 233 Ca 0.01 -1.73 0.15 0.00 -0.77 0.00 0.00 57.85 55.52 1jgw n ARG 233 Cb 0.25 -2.51 0.40 0.00 -1.02 0.00 0.00 32.46 29.58 1jgw n ARG 233 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1jgw h GLU 234 N 4.60 0.61 -0.14 5.56 5.08 -1.84 -2.68 114.58 125.77 1jgw h GLU 234 Ca 0.62 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.94 1jgw h GLU 234 Cb 0.61 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1jgw h GLU 234 CO 1.28 0.40 0.05 -0.07 -1.00 0.00 0.00 179.01 179.67 1jgw h LEU 235 N 0.63 0.20 -1.20 1.33 3.38 -1.93 -2.43 115.31 115.29 1jgw h LEU 235 Ca 0.52 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 58.23 1jgw h LEU 235 Cb 0.98 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1jgw h LEU 235 CO -0.27 0.33 -0.32 -0.08 0.09 0.00 0.00 178.44 178.19 1jgw h GLU 236 N 0.05 0.00 0.00 1.13 4.57 -1.91 -2.10 114.58 116.32 1jgw h GLU 236 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1jgw h GLU 236 Cb 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1jgw h GLU 236 CO -0.00 0.32 0.00 1.96 -1.18 0.00 0.00 179.01 180.11 1jgw h GLN 237 N 0.00 0.00 0.19 1.92 1.08 -1.30 0.79 115.11 117.79 1jgw h GLN 237 Ca -0.00 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.93 1jgw h GLN 237 Cb 0.74 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.19 1jgw h GLN 237 CO 0.04 0.00 -1.19 0.82 -0.95 0.00 0.00 178.83 177.55 1jgw h ILE 238 N 0.00 1.35 0.00 2.54 2.04 -0.89 -3.03 117.51 119.53 1jgw h ILE 238 Ca 0.00 -2.59 -0.12 0.00 1.00 0.00 0.00 64.86 63.14 1jgw h ILE 238 Cb 0.61 3.08 -0.02 0.00 -0.74 0.00 0.00 36.82 39.76 1jgw h ILE 238 CO 0.00 0.76 -0.58 0.00 0.00 0.00 0.00 178.15 178.33 1jgw h ALA 239 N 0.10 0.74 -1.68 1.87 0.00 -1.29 -3.41 119.26 115.59 1jgw h ALA 239 Ca -0.21 -0.53 -0.29 0.00 0.00 0.00 0.00 54.91 53.87 1jgw h ALA 239 Cb 1.90 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 19.32 1jgw h ALA 239 CO 0.20 0.73 -0.63 0.34 0.00 0.00 0.00 179.25 179.88 1jgw s ASP 240 N -6.55 0.36 0.21 0.00 2.15 0.25 -5.11 116.67 107.98 1jgw s ASP 240 Ca 0.02 -1.49 -0.31 0.00 0.43 0.00 0.00 52.55 51.19 1jgw s ASP 240 Cb 0.10 0.93 -0.15 0.00 -0.30 0.00 0.00 42.92 43.50 1jgw s ASP 240 CO 0.74 -0.22 1.11 -1.14 -0.17 0.00 0.00 175.17 175.50 1jgw n ARG 241 N 4.12 1.22 -3.23 4.34 0.63 -1.14 -4.37 116.66 118.23 1jgw n ARG 241 Ca 0.13 0.43 -0.14 0.00 -0.92 0.00 0.00 57.85 57.35 1jgw n ARG 241 Cb 0.49 -1.89 -0.03 0.00 0.45 0.00 0.00 32.46 31.47 1jgw n ARG 241 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jgw n GLY 242 N 1.81 3.77 0.28 5.14 0.00 -1.26 -5.03 105.19 109.89 1jgw n GLY 242 Ca 0.13 -2.13 0.15 0.00 0.00 0.00 0.00 46.02 44.18 1jgw n GLY 242 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jgw h THR 243 N 1.25 0.39 -0.13 2.61 2.02 -1.95 -2.50 112.91 114.59 1jgw h THR 243 Ca -0.18 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1jgw h THR 243 Cb 0.61 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1jgw h THR 243 CO 0.28 0.08 0.03 0.00 0.37 0.00 0.00 175.52 176.28 1jgw h ALA 244 N 1.92 0.17 0.00 6.16 0.00 -1.88 -0.33 119.26 125.29 1jgw h ALA 244 Ca -0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1jgw h ALA 244 Cb 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1jgw h ALA 244 CO 0.01 -0.19 -0.42 0.00 0.00 0.00 0.00 179.25 178.65 1jgw h ALA 245 N 0.81 1.28 -0.03 0.00 0.00 -1.84 -1.87 119.26 117.61 1jgw h ALA 245 Ca 0.04 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1jgw h ALA 245 Cb 0.27 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1jgw h ALA 245 CO 0.00 0.52 -0.39 0.93 0.00 0.00 0.00 179.25 180.32 1jgw h GLU 246 N 0.00 0.32 -0.10 0.00 5.08 -1.31 -2.30 114.58 116.27 1jgw h GLU 246 Ca -0.00 -0.30 -0.14 0.00 -1.00 0.00 0.00 59.36 57.92 1jgw h GLU 246 Cb 0.75 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1jgw h GLU 246 CO 0.05 0.97 -0.54 0.00 -1.00 0.00 0.00 179.01 178.50 1jgw h ARG 247 N -0.23 0.29 -0.22 2.33 3.08 -1.05 -0.52 114.38 118.05 1jgw h ARG 247 Ca -0.04 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 1jgw h ARG 247 Cb 1.09 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1jgw h ARG 247 CO 0.08 0.76 0.10 0.00 -1.07 0.00 0.00 179.97 179.84 1jgw h ALA 248 N 1.20 0.29 -0.52 0.04 0.00 -1.39 -0.51 119.26 118.37 1jgw h ALA 248 Ca 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1jgw h ALA 248 Cb 1.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1jgw h ALA 248 CO 0.09 -0.14 -0.15 0.00 0.00 0.00 0.00 179.25 179.05 1jgw h ALA 249 N 0.95 0.72 -0.12 0.00 0.00 -1.28 -3.18 119.26 116.35 1jgw h ALA 249 Ca 0.08 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1jgw h ALA 249 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1jgw h ALA 249 CO -0.01 0.67 -0.53 -0.07 0.00 0.00 0.00 179.25 179.31 1jgw h LEU 250 N 0.90 0.38 -0.24 0.00 3.38 -0.96 -1.79 115.31 116.97 1jgw h LEU 250 Ca 0.13 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1jgw h LEU 250 Cb 0.73 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1jgw h LEU 250 CO 0.06 0.84 -0.02 0.15 0.09 0.00 0.00 178.44 179.55 1jgw h PHE 251 N 0.27 -0.05 -0.07 1.13 3.04 -1.07 -0.67 116.94 119.52 1jgw h PHE 251 Ca 0.01 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.83 1jgw h PHE 251 Cb 1.02 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.58 1jgw h PHE 251 CO 0.03 -0.06 -0.60 -1.49 -2.02 0.00 0.00 178.31 174.16 1jgw h TRP 252 N 0.05 0.29 -0.45 0.41 4.06 -1.57 -1.99 115.95 116.76 1jgw h TRP 252 Ca 0.12 -0.11 -0.10 0.00 2.06 0.00 0.00 58.89 60.86 1jgw h TRP 252 Cb 0.16 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.25 1jgw h TRP 252 CO -0.21 0.77 -0.10 -0.09 -3.56 0.00 0.00 178.44 175.25 1jgw h ARG 253 N 0.17 0.86 0.00 0.49 2.43 -1.04 0.14 114.38 117.44 1jgw h ARG 253 Ca -0.01 -0.33 -0.07 0.00 -0.81 0.00 0.00 59.98 58.77 1jgw h ARG 253 Cb 1.11 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 1jgw h ARG 253 CO 0.09 0.96 -0.34 -1.49 -1.51 0.00 0.00 179.97 177.69 1jgw h TRP 254 N 0.70 0.00 0.00 2.20 6.55 -1.06 0.56 115.95 124.90 1jgw h TRP 254 Ca 0.12 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.95 1jgw h TRP 254 Cb 0.64 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.94 1jgw h TRP 254 CO 0.05 0.34 -0.06 1.15 -1.05 0.00 0.00 178.44 178.87 1jgw h THR 255 N 0.00 0.78 -0.10 1.49 2.02 -1.02 -3.41 112.91 112.68 1jgw h THR 255 Ca -0.00 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.58 1jgw h THR 255 Cb 0.74 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 1jgw h THR 255 CO 0.04 0.26 0.00 1.15 0.37 0.00 0.00 175.52 177.35 1jgw n MET 256 N -4.69 2.49 -1.82 6.66 0.00 0.01 -5.01 117.12 114.76 1jgw n MET 256 Ca -0.05 -2.07 -0.17 0.00 0.00 0.00 0.00 57.70 55.41 1jgw n MET 256 Cb 0.23 -1.29 -0.05 0.00 0.00 0.00 0.00 33.22 32.11 1jgw n MET 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jgw n GLY 257 N -0.58 0.86 3.52 3.17 0.00 0.20 -4.97 105.19 107.40 1jgw n GLY 257 Ca 0.09 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1jgw n GLY 257 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1jgw s PHE 258 N -2.70 -0.40 0.34 1.61 -0.71 -1.24 -4.95 117.98 109.93 1jgw s PHE 258 Ca 0.00 0.46 -0.09 0.00 -1.04 0.00 0.00 56.93 56.27 1jgw s PHE 258 Cb 0.00 0.50 0.02 0.00 -1.21 0.00 0.00 43.02 42.33 1jgw s PHE 258 CO 0.00 -0.50 0.59 0.54 -1.34 0.00 0.00 175.22 174.50 1jgw s ASN 259 N -1.90 0.46 0.52 1.98 4.22 -1.26 -3.48 114.94 115.47 1jgw s ASN 259 Ca 0.01 -1.28 0.03 0.00 -2.14 0.00 0.00 52.86 49.47 1jgw s ASN 259 Cb -0.01 0.72 0.03 0.00 1.28 0.00 0.00 41.25 43.27 1jgw s ASN 259 CO -0.04 -1.41 0.21 0.00 -2.04 0.00 0.00 177.10 173.82 1jgw n ALA 260 N -0.53 0.64 -2.54 3.54 0.00 -1.26 -5.09 120.51 115.27 1jgw n ALA 260 Ca -0.03 -2.19 -0.25 0.00 0.00 0.00 0.00 53.44 50.98 1jgw n ALA 260 Cb 0.61 1.04 -0.09 0.00 0.00 0.00 0.00 19.45 21.01 1jgw n ALA 260 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jgw s THR 261 N -2.72 2.50 0.28 0.00 -4.23 -1.26 -4.74 115.64 105.47 1jgw s THR 261 Ca 0.16 -2.05 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 1jgw s THR 261 Cb -0.01 -2.75 0.28 0.00 1.34 0.00 0.00 72.50 71.36 1jgw s THR 261 CO 0.10 -0.20 1.85 -0.03 -0.54 0.00 0.00 174.62 175.81 1jgw h MET 262 N 1.88 1.00 0.09 3.99 4.05 -1.91 -1.11 114.93 122.91 1jgw h MET 262 Ca -0.43 -0.06 -0.13 0.00 -0.28 0.00 0.00 59.70 58.81 1jgw h MET 262 Cb 1.25 -0.23 0.01 0.00 -0.80 0.00 0.00 31.60 31.84 1jgw h MET 262 CO 0.68 0.66 -0.58 1.49 0.23 0.00 0.00 176.91 179.40 1jgw h GLU 263 N 1.03 0.19 -0.58 0.39 4.81 -1.94 -3.38 114.58 115.09 1jgw h GLU 263 Ca 0.48 -0.32 0.12 0.00 -0.13 0.00 0.00 59.36 59.51 1jgw h GLU 263 Cb 0.41 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 29.80 1jgw h GLU 263 CO -0.23 1.15 -0.05 0.78 -0.73 0.00 0.00 179.01 179.93 1jgw h GLY 264 N -0.58 0.55 0.94 1.92 0.00 -1.85 -1.18 103.07 102.87 1jgw h GLY 264 Ca -0.11 0.12 0.12 0.00 0.00 0.00 0.00 47.33 47.46 1jgw h GLY 264 CO 0.09 -0.20 0.42 1.19 0.00 0.00 0.00 176.54 178.03 1jgw h ILE 265 N 0.07 0.42 0.00 2.60 6.09 -1.39 0.36 117.51 125.66 1jgw h ILE 265 Ca 0.30 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.78 1jgw h ILE 265 Cb 0.47 0.67 -0.00 0.00 0.47 0.00 0.00 36.82 38.43 1jgw h ILE 265 CO -0.54 0.00 -0.02 0.45 -3.07 0.00 0.00 178.15 174.98 1jgw h HIS 266 N 0.00 0.00 0.12 2.19 3.86 -1.40 -1.07 115.15 118.85 1jgw h HIS 266 Ca 0.19 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 59.13 1jgw h HIS 266 Cb 1.02 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.50 1jgw h HIS 266 CO 0.00 0.02 -1.22 0.00 0.86 0.00 0.00 177.93 177.58 1jgw h ARG 267 N 0.00 0.36 -0.32 2.45 3.08 -0.32 -1.21 114.38 118.41 1jgw h ARG 267 Ca -0.00 -0.55 -0.03 0.00 0.07 0.00 0.00 59.98 59.47 1jgw h ARG 267 Cb 0.94 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 1jgw h ARG 267 CO 0.00 1.24 0.09 -1.49 -1.07 0.00 0.00 179.97 178.75 1jgw h TRP 268 N 0.13 0.53 0.40 3.04 4.06 -1.29 -2.49 115.95 120.33 1jgw h TRP 268 Ca -0.15 -0.06 -0.02 0.00 2.06 0.00 0.00 58.89 60.73 1jgw h TRP 268 Cb 1.93 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 29.94 1jgw h TRP 268 CO 0.08 0.54 -0.21 0.00 -3.56 0.00 0.00 178.44 175.29 1jgw h ALA 269 N 0.93 -0.56 -0.52 1.49 0.00 -1.17 -0.70 119.26 118.73 1jgw h ALA 269 Ca 0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jgw h ALA 269 Cb 0.27 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1jgw h ALA 269 CO -0.00 -0.82 0.31 0.97 0.00 0.00 0.00 179.25 179.71 1jgw h ILE 270 N -0.56 1.15 0.05 0.00 2.10 -1.23 -2.86 117.51 116.16 1jgw h ILE 270 Ca -0.05 -0.34 -0.26 0.00 1.08 0.00 0.00 64.86 65.28 1jgw h ILE 270 Cb 0.44 0.43 0.02 0.00 -1.09 0.00 0.00 36.82 36.61 1jgw h ILE 270 CO 0.08 0.16 -1.09 -0.50 -1.08 0.00 0.00 178.15 175.72 1jgw h TRP 271 N 0.71 0.82 -0.81 2.19 4.06 -1.29 -1.88 115.95 119.75 1jgw h TRP 271 Ca 0.19 -0.48 0.04 0.00 2.06 0.00 0.00 58.89 60.70 1jgw h TRP 271 Cb -0.02 -0.08 -0.05 0.00 -1.00 0.00 0.00 29.16 28.01 1jgw h TRP 271 CO 0.00 1.32 0.51 1.98 -3.56 0.00 0.00 178.44 178.69 1jgw h MET 272 N 0.27 0.93 0.11 0.49 4.05 -0.98 -1.31 114.93 118.50 1jgw h MET 272 Ca -0.13 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.23 1jgw h MET 272 Cb 1.75 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 32.34 1jgw h MET 272 CO 0.20 0.62 -0.05 0.00 0.23 0.00 0.00 176.91 177.91 1jgw h ALA 273 N 1.36 -0.15 -0.87 0.39 0.00 -1.57 -3.31 119.26 115.11 1jgw h ALA 273 Ca 0.34 -0.26 0.17 0.00 0.00 0.00 0.00 54.91 55.16 1jgw h ALA 273 Cb 0.08 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1jgw h ALA 273 CO -0.14 -0.25 0.57 0.28 0.00 0.00 0.00 179.25 179.71 1jgw h VAL 274 N -0.81 0.76 0.00 0.00 2.07 -1.22 -1.57 116.25 115.48 1jgw h VAL 274 Ca -0.02 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1jgw h VAL 274 Cb 0.56 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1jgw h VAL 274 CO 0.02 0.10 -0.08 -0.07 0.02 0.00 0.00 177.57 177.56 1jgw h LEU 275 N 0.53 0.00 0.13 2.57 3.38 -1.32 -2.75 115.31 117.85 1jgw h LEU 275 Ca 0.45 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.43 1jgw h LEU 275 Cb 0.92 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1jgw h LEU 275 CO -0.18 0.08 -0.20 0.58 0.09 0.00 0.00 178.44 178.80 1jgw h VAL 276 N 0.00 0.54 0.00 1.22 2.07 -1.38 -0.99 116.25 117.71 1jgw h VAL 276 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1jgw h VAL 276 Cb 0.46 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1jgw h VAL 276 CO 0.01 0.00 -0.34 0.35 0.02 0.00 0.00 177.57 177.61 1jgw n THR 277 N -5.33 0.46 0.00 2.57 -2.24 -1.20 -2.03 114.28 106.51 1jgw n THR 277 Ca -0.07 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.32 1jgw n THR 277 Cb 0.24 -0.33 -0.09 0.00 -2.10 0.00 0.00 70.33 68.05 1jgw n THR 277 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1jgw h LEU 278 N 0.00 -0.08 -0.66 3.22 5.85 -1.26 -2.08 115.31 120.29 1jgw h LEU 278 Ca 0.00 -0.53 -0.09 0.00 0.84 0.00 0.00 57.88 58.10 1jgw h LEU 278 Cb 0.74 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1jgw h LEU 278 CO 0.00 0.56 0.02 0.74 -0.34 0.00 0.00 178.44 179.42 1jgw h THR 279 N -0.81 1.26 0.37 1.05 2.02 -1.29 -3.09 112.91 112.42 1jgw h THR 279 Ca -0.01 -1.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.02 1jgw h THR 279 Cb 0.61 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1jgw h THR 279 CO 0.02 0.41 -0.18 1.23 0.37 0.00 0.00 175.52 177.37 1jgw h GLY 280 N 1.00 -0.51 0.10 2.16 0.00 -1.48 -2.28 103.07 102.06 1jgw h GLY 280 Ca 0.18 0.19 0.19 0.00 0.00 0.00 0.00 47.33 47.89 1jgw h GLY 280 CO 0.03 -0.19 0.59 -1.33 0.00 0.00 0.00 176.54 175.64 1jgw h GLY 281 N -0.50 1.77 0.74 4.60 0.00 -1.35 -1.46 103.07 106.87 1jgw h GLY 281 Ca -0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1jgw h GLY 281 CO 0.08 -0.08 -0.01 -2.22 0.00 0.00 0.00 176.54 174.31 1jgw h ILE 282 N 0.73 1.19 -0.63 2.60 2.04 -1.43 -1.39 117.51 120.62 1jgw h ILE 282 Ca 0.58 -0.61 0.12 0.00 1.00 0.00 0.00 64.86 65.95 1jgw h ILE 282 Cb 0.92 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.56 1jgw h ILE 282 CO -0.39 0.16 0.43 1.23 0.00 0.00 0.00 178.15 179.57 1jgw h GLY 283 N -0.28 0.52 1.57 5.37 0.00 -0.71 -1.70 103.07 107.85 1jgw h GLY 283 Ca -0.00 -0.14 -0.26 0.00 0.00 0.00 0.00 47.33 46.92 1jgw h GLY 283 CO 0.00 0.07 -1.30 -2.22 0.00 0.00 0.00 176.54 173.10 1jgw h ILE 284 N 0.34 1.39 -0.40 2.60 1.08 -1.27 -3.25 117.51 118.01 1jgw h ILE 284 Ca 0.30 -3.08 -0.09 0.00 -0.39 0.00 0.00 64.86 61.60 1jgw h ILE 284 Cb 0.70 2.78 -0.02 0.00 -3.07 0.00 0.00 36.82 37.21 1jgw h ILE 284 CO -0.08 0.84 -0.12 0.25 -0.69 0.00 0.00 178.15 178.36 1jgw h LEU 285 N 0.03 0.70 -0.00 1.44 5.85 -0.35 -2.75 115.31 120.24 1jgw h LEU 285 Ca -0.14 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1jgw h LEU 285 Cb 1.91 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.75 1jgw h LEU 285 CO 0.14 0.85 0.00 0.18 -0.34 0.00 0.00 178.44 179.27 1jgw n LEU 286 N -4.17 0.55 -4.63 2.25 4.77 -0.93 -4.56 117.00 110.28 1jgw n LEU 286 Ca 0.01 0.55 -0.43 0.00 -0.03 0.00 0.00 56.01 56.11 1jgw n LEU 286 Cb 0.36 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1jgw n LEU 286 CO 0.42 -0.12 0.97 -0.44 -1.33 0.00 0.00 177.39 176.89 1jgw s SER 287 N -4.03 6.88 0.00 -1.43 0.01 -1.04 -1.64 113.70 112.45 1jgw s SER 287 Ca 0.12 0.96 0.00 0.00 1.31 0.00 0.00 55.95 58.34 1jgw s SER 287 Cb 0.14 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1jgw s SER 287 CO 0.57 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.89 1jgw n GLY 288 N 4.03 0.92 0.32 3.44 0.00 0.51 -4.84 105.19 109.58 1jgw n GLY 288 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 1jgw n GLY 288 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jgw n THR 289 N -2.00 0.44 -0.04 2.61 -2.24 -1.21 -4.85 114.28 106.98 1jgw n THR 289 Ca 0.00 -0.14 -0.05 0.00 -2.27 0.00 0.00 64.05 61.58 1jgw n THR 289 Cb 0.00 -1.10 -0.05 0.00 -2.10 0.00 0.00 70.33 67.08 1jgw n THR 289 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1jgw n VAL 290 N -2.98 0.53 -4.53 2.28 0.31 -0.95 -4.98 118.33 108.01 1jgw n VAL 290 Ca -0.14 -0.26 -0.31 0.00 -0.01 0.00 0.00 64.34 63.62 1jgw n VAL 290 Cb 0.63 -0.82 -0.17 0.00 -0.91 0.00 0.00 33.84 32.57 1jgw n VAL 290 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1jgw s VAL 291 N -2.19 1.82 -0.11 2.52 1.01 -0.65 -5.02 120.40 117.78 1jgw s VAL 291 Ca -0.08 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 1jgw s VAL 291 Cb 0.03 -1.63 -0.27 0.00 0.00 0.00 0.00 36.38 34.51 1jgw s VAL 291 CO 0.26 0.50 0.40 0.44 0.00 0.00 0.00 175.10 176.70 1jgw h ASP 292 N 7.42 0.43 -3.27 3.32 3.32 -1.91 0.15 116.42 125.87 1jgw h ASP 292 Ca -0.33 -0.94 -0.41 0.00 0.02 0.00 0.00 57.03 55.37 1jgw h ASP 292 Cb 1.18 -0.14 -0.39 0.00 0.22 0.00 0.00 39.33 40.20 1jgw h ASP 292 CO 0.53 1.84 -0.75 0.21 -1.72 0.00 0.00 179.24 179.35 1jgw s ASN 293 N -7.05 1.45 0.32 6.45 3.84 -1.26 -4.39 114.94 114.31 1jgw s ASN 293 Ca -0.21 -0.05 0.12 0.00 0.21 0.00 0.00 52.86 52.92 1jgw s ASN 293 Cb 0.06 -0.31 0.54 0.00 -0.55 0.00 0.00 41.25 40.99 1jgw s ASN 293 CO 0.78 -0.23 1.72 -0.50 -2.79 0.00 0.00 177.10 176.08 1jgw h TRP 294 N 8.38 0.00 0.12 0.43 4.06 -1.05 -2.17 115.95 125.71 1jgw h TRP 294 Ca -0.16 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.78 1jgw h TRP 294 Cb 1.12 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.28 1jgw h TRP 294 CO 0.46 0.50 -0.06 -0.92 -3.56 0.00 0.00 178.44 174.86 1jgw h TYR 295 N 0.00 -0.15 -0.73 0.49 3.20 -1.77 0.21 116.97 118.23 1jgw h TYR 295 Ca -0.00 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1jgw h TYR 295 Cb 0.88 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 39.15 1jgw h TYR 295 CO 0.00 -0.06 0.46 0.28 -1.64 0.00 0.00 178.16 177.20 1jgw h VAL 296 N -0.20 1.10 -0.86 1.81 2.07 -1.88 -1.85 116.25 116.43 1jgw h VAL 296 Ca -0.02 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1jgw h VAL 296 Cb 0.16 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 1jgw h VAL 296 CO 0.03 0.16 0.54 -0.25 0.02 0.00 0.00 177.57 178.07 1jgw h TRP 297 N 0.89 1.12 0.00 1.57 7.01 -0.96 -1.69 115.95 123.88 1jgw h TRP 297 Ca 0.29 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.30 1jgw h TRP 297 Cb 0.02 -0.37 0.00 0.00 -2.10 0.00 0.00 29.16 26.71 1jgw h TRP 297 CO -0.04 0.73 0.00 0.78 -2.79 0.00 0.00 178.44 177.12 1jgw h GLY 298 N 1.18 0.00 0.20 2.65 0.00 0.25 -2.68 103.07 104.67 1jgw h GLY 298 Ca 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.56 1jgw h GLY 298 CO -0.06 0.00 -0.41 1.46 0.00 0.00 0.00 176.54 177.53 1jgw h GLN 299 N 0.00 0.09 -4.31 4.80 1.08 -1.03 -3.43 115.11 112.31 1jgw h GLN 299 Ca 0.00 -0.15 -0.60 0.00 -1.45 0.00 0.00 58.65 56.45 1jgw h GLN 299 Cb 0.24 0.06 -0.38 0.00 -0.05 0.00 0.00 27.48 27.35 1jgw h GLN 299 CO 0.00 1.07 -0.79 0.54 -0.95 0.00 0.00 178.83 178.70 1jgw s ASN 300 N -6.51 3.63 -1.10 1.46 4.22 -1.03 -5.05 114.94 110.56 1jgw s ASN 300 Ca -0.19 -1.06 -0.23 0.00 -2.14 0.00 0.00 52.86 49.24 1jgw s ASN 300 Cb -0.01 -1.12 -0.11 0.00 1.28 0.00 0.00 41.25 41.29 1jgw s ASN 300 CO 0.72 -0.22 1.93 1.41 -2.04 0.00 0.00 177.10 178.90 1jgw n HIS 301 N 4.72 2.50 0.00 1.54 8.25 -1.11 -4.48 115.22 126.63 1jgw n HIS 301 Ca -0.12 -1.47 0.00 0.00 -0.26 0.00 0.00 57.72 55.87 1jgw n HIS 301 Cb 0.45 -2.45 0.00 0.00 1.12 0.00 0.00 29.99 29.11 1jgw n HIS 301 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39