#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jws s ASP 2 N 0.00 6.57 -0.00 1.61 -1.08 -1.26 -4.85 116.67 117.66 1jws s ASP 2 Ca 0.00 0.82 0.08 0.00 -0.52 0.00 0.00 52.55 52.93 1jws s ASP 2 Cb 0.00 -2.54 -0.09 0.00 -1.46 0.00 0.00 42.92 38.82 1jws s ASP 2 CO 0.00 -1.24 0.35 0.35 0.52 0.00 0.00 175.17 175.15 1jws n THR 3 N 6.68 0.00 -1.59 1.71 -2.24 -1.26 -5.03 114.28 112.55 1jws n THR 3 Ca 0.14 -0.30 -0.44 0.00 -2.27 0.00 0.00 64.05 61.18 1jws n THR 3 Cb 0.48 0.98 -0.01 0.00 -2.10 0.00 0.00 70.33 69.68 1jws n THR 3 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jws n ARG 4 N -1.22 1.36 -2.20 -0.78 3.00 -1.26 -4.92 116.66 110.64 1jws n ARG 4 Ca 0.01 0.48 -0.33 0.00 -0.01 0.00 0.00 57.85 58.00 1jws n ARG 4 Cb 0.13 -1.88 -0.01 0.00 0.00 0.00 0.00 32.46 30.71 1jws n ARG 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1jws s PRO 5 N -1.63 3.51 0.22 5.56 0.04 -1.26 -5.06 135.00 136.37 1jws s PRO 5 Ca 0.59 1.21 0.06 0.00 0.04 0.00 0.00 61.00 62.90 1jws s PRO 5 Cb -0.67 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 1jws s PRO 5 CO 0.60 -0.66 0.19 1.03 0.04 0.00 0.00 177.00 178.20 1jws s ARG 6 N -3.89 2.97 -0.06 4.56 1.81 -1.26 -5.11 118.95 117.97 1jws s ARG 6 Ca 0.64 -0.95 -0.00 0.00 -1.72 0.00 0.00 55.73 53.69 1jws s ARG 6 Cb -0.15 -2.63 0.03 0.00 -0.45 0.00 0.00 34.95 31.74 1jws s ARG 6 CO 0.32 0.44 -0.02 -0.06 -0.68 0.00 0.00 175.30 175.30 1jws s PHE 7 N -1.98 0.76 0.12 -0.53 0.08 -1.26 -5.13 117.98 110.04 1jws s PHE 7 Ca 0.32 -0.23 0.08 0.00 0.12 0.00 0.00 56.93 57.23 1jws s PHE 7 Cb -0.09 -0.79 -0.04 0.00 -0.57 0.00 0.00 43.02 41.54 1jws s PHE 7 CO 0.25 -0.29 -0.15 -1.17 -0.10 0.00 0.00 175.22 173.75 1jws s LEU 8 N 1.56 2.82 -0.04 -0.37 2.96 -1.26 -5.11 118.68 119.24 1jws s LEU 8 Ca -0.01 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.38 1jws s LEU 8 Cb -0.13 -1.64 0.03 0.00 0.50 0.00 0.00 46.19 44.95 1jws s LEU 8 CO -0.04 0.17 0.08 0.86 -1.32 0.00 0.00 176.35 176.11 1jws s TRP 9 N -1.19 -0.02 0.10 5.38 -0.11 -1.23 -3.89 118.94 117.98 1jws s TRP 9 Ca 0.19 0.30 0.09 0.00 1.22 0.00 0.00 56.10 57.90 1jws s TRP 9 Cb -0.11 -0.29 -0.04 0.00 -1.50 0.00 0.00 33.47 31.54 1jws s TRP 9 CO 0.11 -0.16 -0.23 -0.65 -4.62 0.00 0.00 176.95 171.41 1jws s GLN 10 N 1.61 1.22 -0.03 5.86 -0.21 -0.40 -5.01 119.66 122.69 1jws s GLN 10 Ca -0.03 -1.19 -0.00 0.00 0.02 0.00 0.00 55.36 54.15 1jws s GLN 10 Cb -0.12 -1.54 0.03 0.00 1.00 0.00 0.00 33.01 32.38 1jws s GLN 10 CO -0.04 0.36 0.02 -1.17 -2.12 0.00 0.00 175.29 172.35 1jws s LEU 11 N -1.89 0.91 -0.07 2.90 2.96 -1.26 -1.48 118.68 120.76 1jws s LEU 11 Ca 0.08 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.02 1jws s LEU 11 Cb -0.10 -0.15 0.02 0.00 0.50 0.00 0.00 46.19 46.46 1jws s LEU 11 CO 0.04 -0.14 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.31 1jws s LYS 12 N 1.30 1.25 -0.33 1.98 1.02 -0.06 -4.99 119.74 119.91 1jws s LYS 12 Ca -0.06 -0.23 -0.03 0.00 0.02 0.00 0.00 55.97 55.67 1jws s LYS 12 Cb -0.13 -1.18 0.06 0.00 -0.52 0.00 0.00 37.83 36.06 1jws s LYS 12 CO -0.03 -0.09 0.05 -0.06 -0.92 0.00 0.00 175.35 174.31 1jws s PHE 13 N 1.03 3.32 -0.24 3.18 0.40 -1.26 -0.26 117.98 124.16 1jws s PHE 13 Ca -0.09 -1.89 -0.08 0.00 -0.60 0.00 0.00 56.93 54.28 1jws s PHE 13 Cb -0.14 -2.33 -0.03 0.00 0.51 0.00 0.00 43.02 41.02 1jws s PHE 13 CO -0.00 -0.82 0.08 -1.21 0.70 0.00 0.00 175.22 173.96 1jws s GLU 14 N 1.26 3.74 -0.34 0.44 2.02 -0.42 -4.96 118.70 120.44 1jws s GLU 14 Ca -0.02 -0.44 -0.11 0.00 0.02 0.00 0.00 54.97 54.41 1jws s GLU 14 Cb -0.20 -3.32 -0.00 0.00 0.10 0.00 0.00 34.13 30.71 1jws s GLU 14 CO -0.01 -0.09 0.20 0.00 0.02 0.00 0.00 175.26 175.38 1jws s HIS 16 N 1.64 3.25 -0.10 0.00 3.76 -0.06 -4.98 115.29 118.80 1jws s HIS 16 Ca 0.05 0.11 -0.01 0.00 -0.15 0.00 0.00 55.06 55.05 1jws s HIS 16 Cb -0.18 -2.31 -0.03 0.00 1.11 0.00 0.00 32.58 31.18 1jws s HIS 16 CO 0.08 -0.07 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.79 1jws s PHE 17 N 1.40 3.01 -0.09 1.40 0.08 -1.26 -1.73 117.98 120.78 1jws s PHE 17 Ca 0.07 -0.04 0.01 0.00 0.12 0.00 0.00 56.93 57.09 1jws s PHE 17 Cb -0.15 -1.80 0.02 0.00 -0.57 0.00 0.00 43.02 40.52 1jws s PHE 17 CO 0.07 0.25 -0.10 -0.06 -0.10 0.00 0.00 175.22 175.29 1jws s PHE 18 N -0.48 1.44 -0.84 0.36 0.40 -0.85 -4.82 117.98 113.20 1jws s PHE 18 Ca 0.08 -0.63 -0.03 0.00 -0.60 0.00 0.00 56.93 55.75 1jws s PHE 18 Cb -0.12 -1.14 -0.02 0.00 0.51 0.00 0.00 43.02 42.25 1jws s PHE 18 CO 0.02 -0.39 0.76 -1.71 0.70 0.00 0.00 175.22 174.59 1jws n ASN 19 N 4.39 -7.24 0.00 1.36 2.85 -1.26 -2.66 115.26 112.70 1jws n ASN 19 Ca -0.18 -0.33 0.00 0.00 -0.11 0.00 0.00 54.58 53.96 1jws n ASN 19 Cb 0.51 -5.01 0.00 0.00 1.24 0.00 0.00 39.78 36.52 1jws n ASN 19 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1jws n GLY 20 N -1.62 3.56 1.46 8.20 0.00 -1.26 -1.82 105.19 113.72 1jws n GLY 20 Ca -0.04 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 1jws n GLY 20 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1jws n THR 21 N 0.00 2.53 -0.00 2.61 5.66 -1.26 -4.76 114.28 119.05 1jws n THR 21 Ca 0.00 -3.56 -0.07 0.00 -3.05 0.00 0.00 64.05 57.37 1jws n THR 21 Cb 0.00 -0.72 -0.05 0.00 -1.55 0.00 0.00 70.33 68.01 1jws n THR 21 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1jws h GLU 22 N 1.59 -0.11 -5.13 1.09 4.81 -1.35 -3.44 114.58 112.04 1jws h GLU 22 Ca 0.25 0.01 -0.67 0.00 -0.13 0.00 0.00 59.36 58.82 1jws h GLU 22 Cb 1.35 0.03 -0.33 0.00 0.63 0.00 0.00 28.75 30.43 1jws h GLU 22 CO 0.53 0.24 -0.83 0.50 -0.73 0.00 0.00 179.01 178.71 1jws s ARG 23 N -2.38 3.10 -0.02 1.92 3.52 -1.09 -5.03 118.95 118.97 1jws s ARG 23 Ca -0.08 -0.79 0.08 0.00 -0.13 0.00 0.00 55.73 54.80 1jws s ARG 23 Cb -0.00 -2.60 -0.02 0.00 -1.56 0.00 0.00 34.95 30.77 1jws s ARG 23 CO 0.30 -0.09 -0.26 0.08 -0.81 0.00 0.00 175.30 174.52 1jws s VAL 24 N 1.05 2.04 -0.10 7.11 1.01 -1.26 -2.00 120.40 128.24 1jws s VAL 24 Ca -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1jws s VAL 24 Cb -0.14 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.57 1jws s VAL 24 CO -0.05 0.58 -0.08 -0.60 0.00 0.00 0.00 175.10 174.94 1jws s ARG 25 N -0.57 1.54 -0.21 2.72 3.52 -0.71 -4.97 118.95 120.27 1jws s ARG 25 Ca 0.09 -0.28 -0.11 0.00 -0.13 0.00 0.00 55.73 55.31 1jws s ARG 25 Cb -0.10 -1.53 -0.05 0.00 -1.56 0.00 0.00 34.95 31.70 1jws s ARG 25 CO -0.01 -0.21 0.16 -1.17 -0.81 0.00 0.00 175.30 173.26 1jws s LEU 26 N 1.50 4.19 -0.32 -0.88 2.96 -1.26 -0.88 118.68 123.99 1jws s LEU 26 Ca 0.01 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.17 1jws s LEU 26 Cb -0.13 -2.13 0.09 0.00 0.50 0.00 0.00 46.19 44.52 1jws s LEU 26 CO -0.06 0.14 0.04 -0.22 -1.32 0.00 0.00 176.35 174.93 1jws s LEU 27 N 0.58 3.75 -0.19 -0.68 2.96 0.08 -0.92 118.68 124.27 1jws s LEU 27 Ca 0.09 -1.87 -0.19 0.00 -0.22 0.00 0.00 54.13 51.95 1jws s LEU 27 Cb -0.12 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 1jws s LEU 27 CO 0.00 -0.36 0.53 -0.70 -1.32 0.00 0.00 176.35 174.50 1jws s GLU 28 N 1.16 4.21 -0.02 1.98 2.12 0.70 -1.30 118.70 127.57 1jws s GLU 28 Ca 0.08 0.44 0.01 0.00 0.36 0.00 0.00 54.97 55.86 1jws s GLU 28 Cb -0.19 -3.55 0.01 0.00 0.26 0.00 0.00 34.13 30.66 1jws s GLU 28 CO -0.12 -0.12 -0.04 -0.98 -0.54 0.00 0.00 175.26 173.46 1jws s ARG 29 N 1.53 0.48 -0.12 4.30 1.70 0.64 0.02 118.95 127.50 1jws s ARG 29 Ca 0.25 -0.13 -0.04 0.00 -0.47 0.00 0.00 55.73 55.34 1jws s ARG 29 Cb -0.15 -0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 33.69 1jws s ARG 29 CO 0.10 0.04 0.03 0.00 -1.08 0.00 0.00 175.30 174.38 1jws s ILE 31 N -0.43 0.91 0.00 0.00 -1.09 -0.55 -0.97 121.20 119.07 1jws s ILE 31 Ca 0.09 -0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.27 1jws s ILE 31 Cb -0.12 -0.93 0.00 0.00 -1.58 0.00 0.00 42.46 39.83 1jws s ILE 31 CO 0.02 0.34 0.01 0.00 -1.23 0.00 0.00 174.94 174.08 1jws n TYR 32 N 4.78 0.00 -0.01 3.97 9.36 -0.02 -1.28 117.16 133.96 1jws n TYR 32 Ca -0.14 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.07 1jws n TYR 32 Cb 0.50 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.21 1jws n TYR 32 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1jws n ASN 33 N -0.07 0.30 -0.32 2.98 3.02 -1.25 -3.47 115.26 116.46 1jws n ASN 33 Ca 0.00 0.19 0.03 0.00 -0.03 0.00 0.00 54.58 54.77 1jws n ASN 33 Cb 0.00 -0.55 0.04 0.00 -0.61 0.00 0.00 39.78 38.66 1jws n ASN 33 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1jws n GLN 34 N -2.71 0.48 -4.76 3.52 7.27 -1.26 -4.86 117.38 115.06 1jws n GLN 34 Ca -0.02 -1.43 -0.26 0.00 0.07 0.00 0.00 57.00 55.36 1jws n GLN 34 Cb 0.06 -0.81 -0.17 0.00 2.41 0.00 0.00 30.24 31.74 1jws n GLN 34 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1jws s GLU 35 N -0.86 1.98 -0.13 3.69 2.02 -1.26 -5.11 118.70 119.03 1jws s GLU 35 Ca 0.09 -0.54 -0.29 0.00 0.02 0.00 0.00 54.97 54.24 1jws s GLU 35 Cb 0.08 -1.61 -0.02 0.00 0.10 0.00 0.00 34.13 32.68 1jws s GLU 35 CO 0.01 0.10 1.26 -2.00 0.02 0.00 0.00 175.26 174.64 1jws s GLU 36 N 0.48 4.27 -0.19 1.61 2.12 -1.26 -0.84 118.70 124.89 1jws s GLU 36 Ca -0.13 1.68 -0.15 0.00 0.36 0.00 0.00 54.97 56.73 1jws s GLU 36 Cb -0.15 -3.71 -0.09 0.00 0.26 0.00 0.00 34.13 30.44 1jws s GLU 36 CO 0.05 -0.64 -0.14 -1.13 -0.54 0.00 0.00 175.26 172.86 1jws n SER 37 N 6.20 1.87 -4.42 -1.70 3.41 -0.14 -4.19 113.62 114.64 1jws n SER 37 Ca 0.13 0.47 -0.21 0.00 -0.26 0.00 0.00 58.87 59.00 1jws n SER 37 Cb 0.45 -0.86 -0.10 0.00 -0.26 0.00 0.00 64.21 63.44 1jws n SER 37 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jws s VAL 38 N -2.45 1.72 0.06 -3.33 1.01 -1.24 0.26 120.40 116.42 1jws s VAL 38 Ca -0.25 -2.15 -0.27 0.00 0.00 0.00 0.00 61.98 59.31 1jws s VAL 38 Cb 0.05 -2.39 0.09 0.00 0.00 0.00 0.00 36.38 34.13 1jws s VAL 38 CO 0.40 -0.34 0.80 0.00 0.00 0.00 0.00 175.10 175.96 1jws s ARG 39 N -3.70 0.99 -0.13 2.72 1.70 -0.96 -1.22 118.95 118.36 1jws s ARG 39 Ca 0.29 -0.38 -0.01 0.00 -0.47 0.00 0.00 55.73 55.16 1jws s ARG 39 Cb 0.03 0.45 0.03 0.00 -0.57 0.00 0.00 34.95 34.88 1jws s ARG 39 CO 0.11 -0.44 -0.06 0.12 -1.08 0.00 0.00 175.30 173.96 1jws s PHE 40 N -3.33 1.49 -0.25 5.89 2.19 0.10 -1.49 117.98 122.58 1jws s PHE 40 Ca 0.04 -0.82 -0.08 0.00 0.33 0.00 0.00 56.93 56.41 1jws s PHE 40 Cb -0.01 -1.23 -0.03 0.00 -1.31 0.00 0.00 43.02 40.44 1jws s PHE 40 CO -0.09 -0.54 0.09 0.34 1.83 0.00 0.00 175.22 176.85 1jws s ASP 41 N 1.70 5.33 0.60 6.13 -1.08 -1.26 -0.22 116.67 127.89 1jws s ASP 41 Ca 0.04 -0.14 0.37 0.00 -0.52 0.00 0.00 52.55 52.29 1jws s ASP 41 Cb -0.13 -1.96 1.95 0.00 -1.46 0.00 0.00 42.92 41.32 1jws s ASP 41 CO -0.08 -0.02 2.23 0.77 0.52 0.00 0.00 175.17 178.60 1jws h SER 42 N 8.10 0.00 0.64 -0.34 4.64 -1.40 0.67 113.55 125.85 1jws h SER 42 Ca -0.37 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.80 1jws h SER 42 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 1jws h SER 42 CO 0.58 0.03 -0.67 0.44 -0.87 0.00 0.00 176.83 176.34 1jws h ASP 43 N 0.00 0.04 0.56 4.97 3.32 -1.93 -3.16 116.42 120.22 1jws h ASP 43 Ca -0.00 -0.02 -0.28 0.00 0.02 0.00 0.00 57.03 56.74 1jws h ASP 43 Cb 0.15 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1jws h ASP 43 CO 0.00 0.70 -1.47 0.58 -1.72 0.00 0.00 179.24 177.33 1jws h VAL 44 N 0.02 1.19 0.00 -1.35 2.07 -1.39 -3.48 116.25 113.30 1jws h VAL 44 Ca -0.01 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 64.62 1jws h VAL 44 Cb 1.19 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.66 1jws h VAL 44 CO 0.09 0.78 0.00 0.61 0.02 0.00 0.00 177.57 179.07 1jws n GLY 45 N 1.59 0.78 3.68 2.17 0.00 0.02 -5.02 105.19 108.42 1jws n GLY 45 Ca -0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 1jws n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jws s GLU 46 N -0.32 1.35 0.45 1.61 -1.05 -1.26 -4.97 118.70 114.51 1jws s GLU 46 Ca 0.00 -0.67 -0.23 0.00 -0.15 0.00 0.00 54.97 53.92 1jws s GLU 46 Cb 0.00 0.51 -0.08 0.00 -0.44 0.00 0.00 34.13 34.12 1jws s GLU 46 CO 0.00 -0.61 1.12 0.71 0.95 0.00 0.00 175.26 177.43 1jws s TYR 47 N -3.57 2.98 -0.01 4.83 2.02 -1.26 -4.16 117.35 118.18 1jws s TYR 47 Ca 0.08 1.57 0.01 0.00 -0.37 0.00 0.00 57.07 58.36 1jws s TYR 47 Cb -0.03 -3.28 0.01 0.00 -0.40 0.00 0.00 41.96 38.26 1jws s TYR 47 CO -0.01 -1.21 -0.03 1.03 -1.57 0.00 0.00 175.55 173.76 1jws s ARG 48 N -2.72 0.36 0.25 -0.62 1.81 -0.56 -4.89 118.95 112.58 1jws s ARG 48 Ca 0.63 -0.08 -0.30 0.00 -1.72 0.00 0.00 55.73 54.26 1jws s ARG 48 Cb -0.25 -0.40 -0.09 0.00 -0.45 0.00 0.00 34.95 33.75 1jws s ARG 48 CO 0.31 0.01 1.00 0.00 -0.68 0.00 0.00 175.30 175.94 1jws s ALA 49 N 0.28 3.36 -0.11 2.13 0.00 -1.26 -2.26 121.76 123.90 1jws s ALA 49 Ca -0.03 0.72 0.20 0.00 0.00 0.00 0.00 51.96 52.85 1jws s ALA 49 Cb -0.06 -3.25 -0.26 0.00 0.00 0.00 0.00 23.12 19.54 1jws s ALA 49 CO -0.01 0.07 0.41 0.28 0.00 0.00 0.00 175.76 176.52 1jws n VAL 50 N 1.45 0.67 -4.00 0.00 0.31 0.73 -4.95 118.33 112.55 1jws n VAL 50 Ca -0.01 -0.65 -0.08 0.00 -0.01 0.00 0.00 64.34 63.58 1jws n VAL 50 Cb 0.46 -0.28 -0.09 0.00 -0.91 0.00 0.00 33.84 33.03 1jws n VAL 50 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1jws s THR 51 N -3.08 0.18 0.54 2.52 -4.23 -0.90 -4.95 115.64 105.72 1jws s THR 51 Ca -0.08 -1.55 0.21 0.00 -1.18 0.00 0.00 61.69 59.09 1jws s THR 51 Cb 0.10 -1.47 0.32 0.00 1.34 0.00 0.00 72.50 72.80 1jws s THR 51 CO 0.86 -0.84 2.12 -0.33 -0.54 0.00 0.00 174.62 175.90 1jws h GLU 52 N 2.97 0.00 -0.11 3.99 4.39 -1.92 0.31 114.58 124.21 1jws h GLU 52 Ca -0.34 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.39 1jws h GLU 52 Cb 1.17 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1jws h GLU 52 CO 0.62 0.00 0.11 -0.07 -1.16 0.00 0.00 179.01 178.50 1jws h LEU 53 N 0.00 0.00 0.00 1.33 3.38 -1.96 -1.78 115.31 116.28 1jws h LEU 53 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jws h LEU 53 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1jws h LEU 53 CO -0.00 0.00 -0.76 1.23 0.09 0.00 0.00 178.44 179.00 1jws h GLY 54 N 0.00 0.00 -0.27 0.83 0.00 -0.56 -3.41 103.07 99.66 1jws h GLY 54 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.53 1jws h GLY 54 CO -0.00 0.00 -0.05 3.21 0.00 0.00 0.00 176.54 179.70 1jws h ARG 55 N 0.00 0.07 -0.89 4.80 3.08 -1.25 -1.63 114.38 118.55 1jws h ARG 55 Ca 0.00 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.16 1jws h ARG 55 Cb 0.80 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.75 1jws h ARG 55 CO 0.00 0.05 0.52 -1.35 -1.07 0.00 0.00 179.97 178.12 1jws h PRO 56 N 0.07 0.81 -0.13 0.04 0.11 -1.79 -1.61 132.00 129.49 1jws h PRO 56 Ca 0.36 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.38 1jws h PRO 56 Cb 0.60 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 1jws h PRO 56 CO -0.64 0.54 -0.09 -0.44 -0.21 0.00 0.00 178.00 177.16 1jws h ASP 57 N 0.83 0.31 -0.14 -2.05 3.32 -1.62 0.49 116.42 117.56 1jws h ASP 57 Ca 0.44 -0.44 0.03 0.00 0.02 0.00 0.00 57.03 57.08 1jws h ASP 57 Cb 0.46 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1jws h ASP 57 CO -0.27 0.68 -0.04 0.00 -1.72 0.00 0.00 179.24 177.89 1jws h ALA 58 N 0.64 0.09 -0.49 3.45 0.00 -1.21 0.28 119.26 122.01 1jws h ALA 58 Ca 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1jws h ALA 58 Cb 0.58 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1jws h ALA 58 CO 0.02 -0.48 0.26 0.93 0.00 0.00 0.00 179.25 179.98 1jws h GLU 59 N -0.00 0.69 0.68 0.00 5.08 -1.29 -2.03 114.58 117.69 1jws h GLU 59 Ca 0.07 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1jws h GLU 59 Cb 0.11 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.24 1jws h GLU 59 CO -0.15 0.55 -0.33 -0.92 -1.00 0.00 0.00 179.01 177.16 1jws h TYR 60 N 0.65 -0.85 -0.70 4.33 3.20 -0.29 -3.07 116.97 120.24 1jws h TYR 60 Ca 0.17 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.08 1jws h TYR 60 Cb 0.07 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.56 1jws h TYR 60 CO -0.02 -0.49 0.39 -1.49 -1.64 0.00 0.00 178.16 174.91 1jws h TRP 61 N -1.09 0.72 0.00 -3.82 6.55 -0.51 -0.51 115.95 117.30 1jws h TRP 61 Ca -0.09 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.77 1jws h TRP 61 Cb 0.73 -0.22 0.00 0.00 -0.86 0.00 0.00 29.16 28.81 1jws h TRP 61 CO -0.00 0.34 0.05 -0.91 -1.05 0.00 0.00 178.44 176.87 1jws h ASN 62 N 0.72 0.00 -0.13 -3.49 2.35 -1.37 0.33 115.58 113.99 1jws h ASN 62 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1jws h ASN 62 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1jws h ASN 62 CO -0.19 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.05 1jws n SER 63 N -2.26 0.97 -3.84 5.81 3.41 -0.20 -4.57 113.62 112.94 1jws n SER 63 Ca -0.01 -1.73 -0.30 0.00 -0.26 0.00 0.00 58.87 56.57 1jws n SER 63 Cb 0.09 -0.08 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1jws n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1jws s GLN 64 N -1.83 1.29 0.26 4.33 -0.21 0.10 -4.98 119.66 118.62 1jws s GLN 64 Ca 0.24 -1.82 -0.05 0.00 0.02 0.00 0.00 55.36 53.76 1jws s GLN 64 Cb 0.12 -2.64 0.32 0.00 1.00 0.00 0.00 33.01 31.81 1jws s GLN 64 CO 0.19 -1.04 1.91 0.87 -2.12 0.00 0.00 175.29 175.09 1jws h LYS 65 N 7.31 1.24 -0.71 2.91 6.56 -1.83 -1.37 116.57 130.69 1jws h LYS 65 Ca -0.07 -0.07 0.15 0.00 -1.06 0.00 0.00 60.65 59.60 1jws h LYS 65 Cb 0.97 -0.28 -0.11 0.00 -0.57 0.00 0.00 32.23 32.24 1jws h LYS 65 CO 0.52 0.82 0.14 -0.44 -2.06 0.00 0.00 179.45 178.44 1jws h ASP 66 N 1.28 -0.04 0.43 0.86 3.32 -1.96 0.23 116.42 120.54 1jws h ASP 66 Ca 0.39 0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.57 1jws h ASP 66 Cb -0.03 0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1jws h ASP 66 CO -0.12 -0.05 -0.20 0.25 -1.72 0.00 0.00 179.24 177.40 1jws h LEU 67 N 0.24 -0.48 -1.54 1.55 5.85 -1.63 -2.89 115.31 116.41 1jws h LEU 67 Ca 0.39 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.12 1jws h LEU 67 Cb 0.66 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 1jws h LEU 67 CO -0.51 -0.28 0.36 -0.07 -0.34 0.00 0.00 178.44 177.61 1jws h LEU 68 N -0.66 0.51 -0.03 2.25 4.07 -0.46 -1.76 115.31 119.23 1jws h LEU 68 Ca -0.06 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.90 1jws h LEU 68 Cb 0.49 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.11 1jws h LEU 68 CO 0.10 0.34 0.01 -0.08 -1.08 0.00 0.00 178.44 177.73 1jws h GLU 69 N 0.59 0.04 -0.37 1.13 4.81 -0.54 0.14 114.58 120.38 1jws h GLU 69 Ca 0.23 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.51 1jws h GLU 69 Cb 0.17 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.49 1jws h GLU 69 CO -0.06 0.18 0.05 0.37 -0.73 0.00 0.00 179.01 178.82 1jws h GLN 70 N -0.12 0.16 -0.76 1.92 -0.00 -1.21 -0.55 115.11 114.56 1jws h GLN 70 Ca 0.01 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.61 1jws h GLN 70 Cb 0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 27.48 27.57 1jws h GLN 70 CO -0.00 0.11 0.33 0.00 0.00 0.00 0.00 178.83 179.27 1jws h ARG 71 N 0.16 1.12 -0.43 1.69 -0.00 -1.09 -1.82 114.38 114.01 1jws h ARG 71 Ca 0.18 -0.19 -0.09 0.00 -0.50 0.00 0.00 59.98 59.38 1jws h ARG 71 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 29.97 29.98 1jws h ARG 71 CO -0.25 0.89 -0.12 0.00 0.00 0.00 0.00 179.97 180.49 1jws h ARG 72 N 1.08 0.78 0.00 0.04 3.08 -0.15 -2.36 114.38 116.85 1jws h ARG 72 Ca 0.26 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1jws h ARG 72 Cb 0.17 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1jws h ARG 72 CO -0.03 0.86 0.00 0.00 -1.07 0.00 0.00 179.97 179.74 1jws n ALA 73 N -2.49 2.45 0.23 0.04 0.00 -0.27 -3.76 120.51 116.71 1jws n ALA 73 Ca 0.01 -0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.39 1jws n ALA 73 Cb 0.37 -1.46 0.53 0.00 0.00 0.00 0.00 19.45 18.90 1jws n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jws h ALA 74 N 3.50 1.21 -0.09 0.00 0.00 -0.78 -1.71 119.26 121.39 1jws h ALA 74 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1jws h ALA 74 Cb 0.16 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jws h ALA 74 CO 0.00 0.29 0.17 -0.39 0.00 0.00 0.00 179.25 179.33 1jws h VAL 75 N 0.00 0.24 0.00 0.00 -1.51 -1.76 0.39 116.25 113.61 1jws h VAL 75 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1jws h VAL 75 Cb 0.57 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.58 1jws h VAL 75 CO 0.03 0.00 -0.19 0.47 -1.23 0.00 0.00 177.57 176.65 1jws n ASP 76 N -3.41 0.38 0.12 4.19 8.00 -0.69 -2.05 116.55 123.10 1jws n ASP 76 Ca -0.01 0.07 0.16 0.00 0.71 0.00 0.00 54.79 55.73 1jws n ASP 76 Cb 0.26 -0.55 0.71 0.00 -0.02 0.00 0.00 41.12 41.53 1jws n ASP 76 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1jws h THR 77 N -0.20 0.74 0.00 -3.53 1.35 -1.45 -2.40 112.91 107.42 1jws h THR 77 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1jws h THR 77 Cb 0.19 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 1jws h THR 77 CO 0.00 0.00 -0.12 0.00 -0.25 0.00 0.00 175.52 175.15 1jws n TYR 78 N -4.28 0.00 0.09 4.73 9.36 -0.34 -4.43 117.16 122.29 1jws n TYR 78 Ca 0.04 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.21 1jws n TYR 78 Cb 0.39 -0.06 -0.03 0.00 -0.63 0.00 0.00 39.34 39.01 1jws n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1jws h ARG 80 N -0.31 0.76 0.50 0.00 3.08 -1.36 -1.28 114.38 115.78 1jws h ARG 80 Ca -0.02 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1jws h ARG 80 Cb 0.26 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1jws h ARG 80 CO -0.01 0.51 -0.24 1.25 -1.07 0.00 0.00 179.97 180.40 1jws h HIS 81 N 0.79 -0.63 -0.94 3.04 2.76 -1.32 -2.25 115.15 116.59 1jws h HIS 81 Ca 0.26 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.42 1jws h HIS 81 Cb 0.05 0.21 -0.05 0.00 1.55 0.00 0.00 27.41 29.17 1jws h HIS 81 CO -0.00 -0.37 0.62 -0.91 -1.30 0.00 0.00 177.93 175.97 1jws h ASN 82 N -0.73 1.09 -0.17 3.26 2.35 -0.90 -1.29 115.58 119.19 1jws h ASN 82 Ca -0.07 -0.03 0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1jws h ASN 82 Cb 0.54 -0.27 -0.07 0.00 0.05 0.00 0.00 38.32 38.57 1jws h ASN 82 CO 0.11 0.80 -0.29 0.22 -1.65 0.00 0.00 177.43 176.62 1jws h TYR 83 N 1.28 -0.78 -0.79 1.19 5.03 -1.04 -1.65 116.97 120.20 1jws h TYR 83 Ca 0.34 0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.65 1jws h TYR 83 Cb -0.14 0.37 -0.04 0.00 1.55 0.00 0.00 36.73 38.48 1jws h TYR 83 CO 0.00 -0.37 0.33 0.78 -1.32 0.00 0.00 178.16 177.58 1jws h GLY 84 N -0.34 1.26 -0.21 1.82 0.00 -1.07 -2.05 103.07 102.49 1jws h GLY 84 Ca 0.11 -0.68 0.20 0.00 0.00 0.00 0.00 47.33 46.96 1jws h GLY 84 CO -0.36 0.64 0.27 -2.08 0.00 0.00 0.00 176.54 175.01 1jws h VAL 85 N 1.15 0.45 -0.06 4.60 2.07 -0.27 -2.75 116.25 121.43 1jws h VAL 85 Ca 0.27 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 1jws h VAL 85 Cb 0.20 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1jws h VAL 85 CO -0.02 0.06 -0.16 0.61 0.02 0.00 0.00 177.57 178.08 1jws n GLY 86 N -1.35 4.87 0.30 2.17 0.00 -1.05 -4.73 105.19 105.40 1jws n GLY 86 Ca 0.19 -1.19 -0.02 0.00 0.00 0.00 0.00 46.02 45.00 1jws n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jws h GLU 87 N 0.59 0.78 -0.90 1.61 4.81 -1.06 -1.92 114.58 118.50 1jws h GLU 87 Ca 0.02 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1jws h GLU 87 Cb 1.11 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.31 1jws h GLU 87 CO 0.06 0.68 0.59 0.66 -0.73 0.00 0.00 179.01 180.27 1jws h SER 88 N 0.77 1.00 -0.35 1.04 4.64 -1.85 -1.75 113.55 117.05 1jws h SER 88 Ca 0.18 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1jws h SER 88 Cb 0.22 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1jws h SER 88 CO -0.01 0.70 0.00 2.22 -0.87 0.00 0.00 176.83 178.87 1jws n PHE 89 N -4.49 0.45 0.00 4.77 -1.74 -1.14 -3.89 117.46 111.42 1jws n PHE 89 Ca 0.11 -0.31 0.00 0.00 -0.56 0.00 0.00 57.45 56.68 1jws n PHE 89 Cb 0.05 -0.01 0.00 0.00 1.52 0.00 0.00 39.48 41.04 1jws n PHE 89 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 1jws n THR 90 N 1.04 0.00 -0.37 1.97 -2.24 -0.73 -4.33 114.28 109.61 1jws n THR 90 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1jws n THR 90 Cb 0.49 -0.85 0.14 0.00 -2.10 0.00 0.00 70.33 68.01 1jws n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1jws h VAL 91 N 0.00 1.18 -0.02 2.28 2.07 -1.67 -2.75 116.25 117.34 1jws h VAL 91 Ca 0.00 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1jws h VAL 91 Cb 0.00 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.57 1jws h VAL 91 CO 0.00 0.23 -0.27 0.00 0.02 0.00 0.00 177.57 177.56 1jws n GLN 92 N -4.43 1.39 -1.84 1.57 6.02 -0.68 -4.94 117.38 114.47 1jws n GLN 92 Ca 0.13 -1.05 -0.42 0.00 -0.01 0.00 0.00 57.00 55.66 1jws n GLN 92 Cb 0.09 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 1jws n GLN 92 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1jws s ARG 93 N -2.33 4.17 -0.02 -1.09 3.52 -1.04 -4.95 118.95 117.21 1jws s ARG 93 Ca 0.24 2.48 0.01 0.00 -0.13 0.00 0.00 55.73 58.33 1jws s ARG 93 Cb 0.19 -3.11 0.02 0.00 -1.56 0.00 0.00 34.95 30.48 1jws s ARG 93 CO 0.47 -0.68 -0.01 1.03 -0.81 0.00 0.00 175.30 175.31 1jws s ARG 94 N 1.14 0.27 -0.10 5.12 0.52 -1.26 -4.08 118.95 120.57 1jws s ARG 94 Ca 0.72 0.00 -0.02 0.00 -0.52 0.00 0.00 55.73 55.91 1jws s ARG 94 Cb -0.47 -0.38 0.04 0.00 0.52 0.00 0.00 34.95 34.66 1jws s ARG 94 CO 0.32 -0.05 0.03 0.08 0.02 0.00 0.00 175.30 175.69 1jws s VAL 95 N 0.57 0.25 0.30 3.52 1.01 0.29 -4.97 120.40 121.36 1jws s VAL 95 Ca -0.06 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 1jws s VAL 95 Cb -0.09 -0.55 -0.11 0.00 0.00 0.00 0.00 36.38 35.64 1jws s VAL 95 CO -0.01 0.10 1.60 -0.70 0.00 0.00 0.00 175.10 176.09 1jws s GLU 96 N 2.01 4.12 0.39 2.72 2.12 -1.26 -2.39 118.70 126.40 1jws s GLU 96 Ca 0.04 2.59 -0.23 0.00 0.36 0.00 0.00 54.97 57.72 1jws s GLU 96 Cb -0.13 -3.02 -0.10 0.00 0.26 0.00 0.00 34.13 31.14 1jws s GLU 96 CO -0.06 -0.64 0.97 -1.25 -0.54 0.00 0.00 175.26 173.74 1jws s PRO 97 N -0.55 4.34 -0.20 4.30 0.04 -1.26 -4.57 135.00 137.10 1jws s PRO 97 Ca 0.63 1.27 -0.17 0.00 0.04 0.00 0.00 61.00 62.78 1jws s PRO 97 Cb -0.48 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 1jws s PRO 97 CO 0.48 0.05 0.44 0.15 0.04 0.00 0.00 177.00 178.17 1jws s LYS 98 N -2.64 4.18 0.01 4.56 1.02 -0.46 -4.92 119.74 121.49 1jws s LYS 98 Ca 0.57 0.27 0.08 0.00 0.02 0.00 0.00 55.97 56.92 1jws s LYS 98 Cb -0.15 -3.55 -0.02 0.00 -0.52 0.00 0.00 37.83 33.59 1jws s LYS 98 CO 0.20 -0.08 -0.26 0.08 -0.92 0.00 0.00 175.35 174.37 1jws s VAL 99 N 1.43 2.06 -0.12 3.17 1.01 -1.26 -1.47 120.40 125.22 1jws s VAL 99 Ca 0.21 -1.23 -0.21 0.00 0.00 0.00 0.00 61.98 60.75 1jws s VAL 99 Cb -0.15 -1.74 0.05 0.00 0.00 0.00 0.00 36.38 34.54 1jws s VAL 99 CO 0.09 0.47 0.52 0.28 0.00 0.00 0.00 175.10 176.46 1jws s THR 100 N -0.69 0.01 -0.09 3.92 -1.32 -0.84 -5.03 115.64 111.60 1jws s THR 100 Ca 0.11 -0.12 0.03 0.00 -1.21 0.00 0.00 61.69 60.50 1jws s THR 100 Cb -0.10 -0.78 0.01 0.00 -1.51 0.00 0.00 72.50 70.12 1jws s THR 100 CO 0.00 -0.06 -0.20 -0.69 -2.21 0.00 0.00 174.62 171.46 1jws s VAL 101 N -0.50 1.76 -0.02 5.08 1.01 -1.26 -1.32 120.40 125.15 1jws s VAL 101 Ca -0.06 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 1jws s VAL 101 Cb -0.03 -1.54 0.03 0.00 0.00 0.00 0.00 36.38 34.84 1jws s VAL 101 CO 0.04 0.49 0.38 -0.72 0.00 0.00 0.00 175.10 175.29 1jws s TYR 102 N 0.52 -0.27 0.33 5.22 1.13 -0.92 -5.00 117.35 118.37 1jws s TYR 102 Ca -0.16 0.41 -0.28 0.00 -1.41 0.00 0.00 57.07 55.63 1jws s TYR 102 Cb -0.17 0.16 -0.10 0.00 -1.10 0.00 0.00 41.96 40.75 1jws s TYR 102 CO 0.06 -0.44 1.24 -1.25 -2.51 0.00 0.00 175.55 172.65 1jws s PRO 103 N -1.37 4.37 0.93 -3.49 0.04 -1.26 -1.37 135.00 132.84 1jws s PRO 103 Ca -0.13 2.07 -0.10 0.00 0.04 0.00 0.00 61.00 62.88 1jws s PRO 103 Cb -0.04 -3.04 0.15 0.00 0.04 0.00 0.00 34.50 31.62 1jws s PRO 103 CO 0.05 -0.13 1.14 0.45 0.04 0.00 0.00 177.00 178.55 1jws s SER 104 N -0.67 2.80 -0.46 6.66 0.15 0.93 -4.82 113.70 118.28 1jws s SER 104 Ca 0.49 2.13 -0.01 0.00 0.70 0.00 0.00 55.95 59.26 1jws s SER 104 Cb -0.37 -2.55 0.33 0.00 -1.71 0.00 0.00 66.02 61.73 1jws s SER 104 CO 0.48 -3.17 2.00 0.29 1.20 0.00 0.00 173.24 174.04 1jws n LYS 105 N -4.27 2.17 0.00 5.44 4.01 -1.26 -4.66 118.16 119.58 1jws n LYS 105 Ca 0.11 -2.30 0.00 0.00 -0.51 0.00 0.00 58.31 55.61 1jws n LYS 105 Cb 0.52 -1.90 0.00 0.00 -0.51 0.00 0.00 35.03 33.14 1jws n LYS 105 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1jws n THR 106 N -0.24 0.00 -4.09 -0.18 -1.04 -1.26 -5.22 114.28 102.25 1jws n THR 106 Ca 0.44 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.45 1jws n THR 106 Cb 0.67 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 1jws n THR 106 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jws n GLN 107 N 0.00 0.00 0.00 -2.82 3.00 -1.26 -4.99 117.38 111.31 1jws n GLN 107 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1jws n GLN 107 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1jws n GLN 107 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1jws n HIS 111 N 0.00 0.00 -4.13 1.08 -0.00 -1.26 -5.01 115.22 105.90 1jws n HIS 111 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.42 1jws n HIS 111 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.91 1jws n HIS 111 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1jws s HIS 112 N 0.00 2.98 -0.14 1.57 4.02 -1.26 -4.75 115.29 117.71 1jws s HIS 112 Ca 0.00 -0.03 0.01 0.00 1.02 0.00 0.00 55.06 56.06 1jws s HIS 112 Cb 0.00 -1.53 0.00 0.00 -1.02 0.00 0.00 32.58 30.03 1jws s HIS 112 CO 0.00 0.48 -0.18 1.21 1.02 0.00 0.00 174.74 177.27 1jws s ASN 113 N -2.31 3.48 -0.42 1.40 3.04 -0.45 -4.96 114.94 114.72 1jws s ASN 113 Ca 0.26 -0.50 -0.20 0.00 0.04 0.00 0.00 52.86 52.46 1jws s ASN 113 Cb -0.12 -1.52 0.02 0.00 -1.54 0.00 0.00 41.25 38.09 1jws s ASN 113 CO 0.18 0.10 0.58 -0.22 -3.04 0.00 0.00 177.10 174.70 1jws s LEU 114 N 0.71 4.54 -0.01 3.21 0.20 -1.26 -1.41 118.68 124.65 1jws s LEU 114 Ca -0.08 -0.34 -0.18 0.00 0.69 0.00 0.00 54.13 54.22 1jws s LEU 114 Cb -0.16 -2.64 -0.06 0.00 -0.43 0.00 0.00 46.19 42.91 1jws s LEU 114 CO 0.01 -0.68 0.52 -0.76 -0.29 0.00 0.00 176.35 175.15 1jws s LEU 115 N 2.61 4.43 -0.12 -0.68 1.43 -0.74 -0.05 118.68 125.56 1jws s LEU 115 Ca 0.20 1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 54.36 1jws s LEU 115 Cb -0.15 -2.80 -0.02 0.00 0.03 0.00 0.00 46.19 43.25 1jws s LEU 115 CO 0.17 0.18 -0.08 -0.69 0.23 0.00 0.00 176.35 176.16 1jws s VAL 116 N -0.47 3.58 -0.33 -1.59 1.01 -0.47 -0.67 120.40 121.45 1jws s VAL 116 Ca 0.28 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1jws s VAL 116 Cb -0.18 -2.51 0.09 0.00 0.00 0.00 0.00 36.38 33.78 1jws s VAL 116 CO 0.15 0.54 0.04 0.00 0.00 0.00 0.00 175.10 175.84 1jws s SER 118 N 1.16 6.80 -0.24 0.00 0.15 -0.43 -1.61 113.70 119.53 1jws s SER 118 Ca 0.05 0.97 -0.00 0.00 0.70 0.00 0.00 55.95 57.66 1jws s SER 118 Cb -0.20 -2.34 0.07 0.00 -1.71 0.00 0.00 66.02 61.83 1jws s SER 118 CO -0.06 -0.08 -0.01 -0.69 1.20 0.00 0.00 173.24 173.61 1jws s VAL 119 N 0.84 1.20 0.29 4.45 1.01 -0.27 -1.99 120.40 125.93 1jws s VAL 119 Ca 0.31 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1jws s VAL 119 Cb -0.16 -1.60 -0.06 0.00 0.00 0.00 0.00 36.38 34.56 1jws s VAL 119 CO 0.13 -0.22 0.07 -0.94 0.00 0.00 0.00 175.10 174.14 1jws s SER 120 N 1.53 1.79 -1.59 3.32 1.04 -0.54 -0.49 113.70 118.75 1jws s SER 120 Ca -0.02 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.05 1jws s SER 120 Cb -0.18 0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1jws s SER 120 CO -0.09 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1jws n GLY 121 N -0.56 -0.49 3.90 7.32 0.00 0.49 -1.35 105.19 114.51 1jws n GLY 121 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1jws n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1jws s PHE 122 N -2.93 3.20 -0.28 1.61 -0.71 -0.65 -4.68 117.98 113.55 1jws s PHE 122 Ca 0.00 -0.12 -0.23 0.00 -1.04 0.00 0.00 56.93 55.54 1jws s PHE 122 Cb 0.00 -1.60 0.09 0.00 -1.21 0.00 0.00 43.02 40.30 1jws s PHE 122 CO 0.00 0.37 0.81 -0.47 -1.34 0.00 0.00 175.22 174.59 1jws s TYR 123 N -2.11 -0.74 0.54 3.49 6.14 -1.01 0.10 117.35 123.76 1jws s TYR 123 Ca 0.36 1.72 -0.09 0.00 0.64 0.00 0.00 57.07 59.70 1jws s TYR 123 Cb -0.08 0.36 0.13 0.00 0.42 0.00 0.00 41.96 42.79 1jws s TYR 123 CO 0.27 -0.36 0.44 -2.30 0.64 0.00 0.00 175.55 174.24 1jws n PRO 124 N 2.91 -2.20 0.08 4.97 -0.02 -1.26 -0.55 135.00 138.93 1jws n PRO 124 Ca -0.15 -0.70 -0.05 0.00 -2.02 0.00 0.00 63.50 60.58 1jws n PRO 124 Cb 0.56 -0.71 -0.07 0.00 -0.02 0.00 0.00 33.50 33.26 1jws n PRO 124 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1jws h GLY 125 N -1.58 0.00 -5.75 -1.23 0.00 -1.98 -3.44 103.07 89.09 1jws h GLY 125 Ca -0.17 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.61 1jws h GLY 125 CO 0.11 0.00 1.25 -1.35 0.00 0.00 0.00 176.54 176.55 1jws s SER 126 N -6.69 6.27 -0.04 0.19 1.04 -1.26 -4.92 113.70 108.30 1jws s SER 126 Ca 0.01 2.33 -0.10 0.00 0.48 0.00 0.00 55.95 58.67 1jws s SER 126 Cb 0.10 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.71 1jws s SER 126 CO 0.80 -1.24 0.23 -0.51 0.98 0.00 0.00 173.24 173.50 1jws s ILE 127 N 5.27 0.04 -0.25 -1.02 -1.16 -1.26 -4.56 121.20 118.26 1jws s ILE 127 Ca 0.87 -0.36 0.01 0.00 -0.51 0.00 0.00 60.65 60.65 1jws s ILE 127 Cb -0.37 -0.45 0.07 0.00 0.61 0.00 0.00 42.46 42.31 1jws s ILE 127 CO 0.37 -0.20 -0.04 -0.70 -2.81 0.00 0.00 174.94 171.56 1jws s GLU 128 N -0.79 1.63 -0.15 3.50 2.12 0.11 -4.99 118.70 120.14 1jws s GLU 128 Ca -0.09 -1.13 0.01 0.00 0.36 0.00 0.00 54.97 54.13 1jws s GLU 128 Cb -0.05 -2.65 0.00 0.00 0.26 0.00 0.00 34.13 31.70 1jws s GLU 128 CO 0.02 -0.65 -0.19 0.14 -0.54 0.00 0.00 175.26 174.04 1jws s VAL 129 N 1.32 2.35 0.11 3.70 -7.23 -1.26 0.49 120.40 119.88 1jws s VAL 129 Ca -0.04 -0.88 0.05 0.00 -1.81 0.00 0.00 61.98 59.30 1jws s VAL 129 Cb -0.19 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 1jws s VAL 129 CO -0.07 0.53 -0.12 -0.13 -0.31 0.00 0.00 175.10 175.00 1jws s ARG 130 N 0.84 0.93 -0.13 4.82 0.52 0.33 -4.97 118.95 121.29 1jws s ARG 130 Ca -0.06 -1.20 -0.05 0.00 -0.52 0.00 0.00 55.73 53.90 1jws s ARG 130 Cb -0.15 -0.72 -0.04 0.00 0.52 0.00 0.00 34.95 34.56 1jws s ARG 130 CO -0.01 0.13 0.06 -1.58 0.02 0.00 0.00 175.30 173.91 1jws s TRP 131 N -2.28 3.31 0.18 -0.53 0.52 -1.26 0.45 118.94 119.33 1jws s TRP 131 Ca 0.07 0.23 0.09 0.00 0.02 0.00 0.00 56.10 56.51 1jws s TRP 131 Cb -0.04 -1.94 -0.04 0.00 -1.15 0.00 0.00 33.47 30.30 1jws s TRP 131 CO 0.02 0.42 -0.19 -0.06 0.02 0.00 0.00 176.95 177.16 1jws s PHE 132 N -0.45 1.91 -0.18 -1.98 0.40 0.13 -0.58 117.98 117.23 1jws s PHE 132 Ca 0.10 -0.45 -0.01 0.00 -0.60 0.00 0.00 56.93 55.97 1jws s PHE 132 Cb -0.12 -0.94 0.05 0.00 0.51 0.00 0.00 43.02 42.52 1jws s PHE 132 CO 0.02 0.38 -0.03 0.50 0.70 0.00 0.00 175.22 176.79 1jws s ARG 133 N -2.90 1.27 -1.52 0.44 3.52 -0.32 -0.79 118.95 118.65 1jws s ARG 133 Ca 0.18 -0.55 -0.12 0.00 -0.13 0.00 0.00 55.73 55.11 1jws s ARG 133 Cb -0.06 -2.07 0.08 0.00 -1.56 0.00 0.00 34.95 31.34 1jws s ARG 133 CO 0.08 -0.49 0.90 0.09 -0.81 0.00 0.00 175.30 175.06 1jws n ASN 134 N 4.89 -3.96 0.00 -2.12 3.02 -0.26 -1.91 115.26 114.92 1jws n ASN 134 Ca -0.11 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 1jws n ASN 134 Cb 0.47 -3.71 0.00 0.00 -0.61 0.00 0.00 39.78 35.93 1jws n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jws n GLY 135 N -1.66 0.70 2.80 7.41 0.00 -1.26 -5.06 105.19 108.12 1jws n GLY 135 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 1jws n GLY 135 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jws s GLN 136 N -0.37 0.27 0.27 1.61 -2.07 -0.80 -5.10 119.66 113.46 1jws s GLN 136 Ca 0.00 0.10 -0.07 0.00 -1.82 0.00 0.00 55.36 53.57 1jws s GLN 136 Cb 0.00 -0.49 -0.06 0.00 -1.09 0.00 0.00 33.01 31.38 1jws s GLN 136 CO 0.00 -0.15 -0.14 -1.91 -1.32 0.00 0.00 175.29 171.76 1jws n GLU 137 N 4.24 0.00 -3.64 9.60 4.07 -1.26 -1.17 120.64 132.48 1jws n GLU 137 Ca -0.25 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.58 1jws n GLU 137 Cb 0.50 -0.39 -0.11 0.00 -0.06 0.00 0.00 31.44 31.39 1jws n GLU 137 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1jws n GLU 138 N 0.72 1.03 0.34 5.31 -0.58 0.26 -4.53 120.64 123.19 1jws n GLU 138 Ca 0.02 -3.84 -0.17 0.00 -0.42 0.00 0.00 57.16 52.74 1jws n GLU 138 Cb 0.19 -1.98 -0.09 0.00 -0.57 0.00 0.00 31.44 29.00 1jws n GLU 138 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1jws h LYS 139 N 5.47 -0.82 -7.35 3.49 1.79 -1.93 -3.42 116.57 113.81 1jws h LYS 139 Ca 0.21 0.06 -0.51 0.00 -2.18 0.00 0.00 60.65 58.22 1jws h LYS 139 Cb 0.83 0.19 0.07 0.00 -1.58 0.00 0.00 32.23 31.74 1jws h LYS 139 CO 0.55 -0.55 0.40 0.00 -1.08 0.00 0.00 179.45 178.77 1jws s ALA 140 N -6.06 2.96 0.00 3.86 0.00 -1.26 -4.16 121.76 117.10 1jws s ALA 140 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1jws s ALA 140 Cb 0.04 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1jws s ALA 140 CO 0.62 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1jws n GLY 141 N -2.47 2.57 3.67 0.00 0.00 -1.26 -4.95 105.19 102.74 1jws n GLY 141 Ca 0.07 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 1jws n GLY 141 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jws n VAL 142 N 0.00 4.22 -3.68 1.61 0.24 -1.26 -3.53 118.33 115.93 1jws n VAL 142 Ca 0.00 -0.48 -0.10 0.00 -2.04 0.00 0.00 64.34 61.71 1jws n VAL 142 Cb 0.00 -1.30 -0.11 0.00 -1.47 0.00 0.00 33.84 30.96 1jws n VAL 142 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1jws s VAL 143 N -1.50 -0.27 0.25 3.34 1.01 -0.91 -4.98 120.40 117.33 1jws s VAL 143 Ca 0.79 0.15 0.08 0.00 0.00 0.00 0.00 61.98 63.00 1jws s VAL 143 Cb -0.39 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1jws s VAL 143 CO 0.44 0.06 0.11 -0.55 0.00 0.00 0.00 175.10 175.16 1jws s SER 144 N 1.90 5.13 0.05 3.32 0.15 -1.26 -0.41 113.70 122.57 1jws s SER 144 Ca -0.06 -0.39 0.22 0.00 0.70 0.00 0.00 55.95 56.42 1jws s SER 144 Cb -0.10 -1.18 -0.20 0.00 -1.71 0.00 0.00 66.02 62.82 1jws s SER 144 CO -0.12 -0.01 0.71 1.07 1.20 0.00 0.00 173.24 176.09 1jws n THR 145 N -0.95 0.19 0.00 6.45 5.66 -0.56 -4.99 114.28 120.09 1jws n THR 145 Ca -0.07 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.46 1jws n THR 145 Cb 0.58 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 1jws n THR 145 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1jws n GLY 146 N 1.26 0.72 3.67 1.09 0.00 -1.26 -4.91 105.19 105.76 1jws n GLY 146 Ca -0.02 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 1jws n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jws s LEU 147 N -0.52 4.17 -0.18 0.99 2.96 -1.26 -4.51 118.68 120.33 1jws s LEU 147 Ca 0.00 1.15 -0.04 0.00 -0.22 0.00 0.00 54.13 55.02 1jws s LEU 147 Cb 0.00 -3.21 -0.02 0.00 0.50 0.00 0.00 46.19 43.45 1jws s LEU 147 CO 0.00 -0.40 -0.02 -0.63 -1.32 0.00 0.00 176.35 173.98 1jws s ILE 148 N 2.16 3.90 -0.34 6.68 1.01 -0.53 -5.01 121.20 129.08 1jws s ILE 148 Ca 0.38 -0.34 -0.16 0.00 0.00 0.00 0.00 60.65 60.53 1jws s ILE 148 Cb -0.16 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 1jws s ILE 148 CO 0.12 0.46 0.40 -1.58 0.00 0.00 0.00 174.94 174.34 1jws s GLN 149 N 0.74 3.62 0.38 2.79 0.74 -1.26 -1.88 119.66 124.79 1jws s GLN 149 Ca -0.01 -0.30 0.27 0.00 0.05 0.00 0.00 55.36 55.37 1jws s GLN 149 Cb -0.14 -3.79 0.89 0.00 1.10 0.00 0.00 33.01 31.07 1jws s GLN 149 CO 0.02 -0.53 1.78 -0.91 -0.55 0.00 0.00 175.29 175.10 1jws h ASN 150 N 8.43 0.00 0.00 6.67 2.35 -1.63 -3.47 115.58 127.93 1jws h ASN 150 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1jws h ASN 150 Cb 1.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.51 1jws h ASN 150 CO 0.71 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 177.10 1jws n GLY 151 N 0.59 0.79 0.71 2.83 0.00 -1.26 -4.90 105.19 103.94 1jws n GLY 151 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 1jws n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jws n ASP 152 N 0.00 1.95 -3.05 1.61 5.75 -1.26 -4.92 116.55 116.63 1jws n ASP 152 Ca 0.00 -3.90 -0.20 0.00 -0.01 0.00 0.00 54.79 50.68 1jws n ASP 152 Cb 0.00 -0.52 0.06 0.00 -1.03 0.00 0.00 41.12 39.63 1jws n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1jws n TRP 153 N -1.09 -2.33 -3.81 2.11 7.02 -1.26 -5.00 117.44 113.09 1jws n TRP 153 Ca 0.21 0.79 -0.13 0.00 -1.02 0.00 0.00 57.50 57.35 1jws n TRP 153 Cb 0.72 -4.39 -0.13 0.00 -2.42 0.00 0.00 31.31 25.09 1jws n TRP 153 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1jws s THR 154 N -3.24 -0.01 0.29 -0.99 -1.32 -1.26 -4.72 115.64 104.38 1jws s THR 154 Ca 0.46 0.05 0.11 0.00 -1.21 0.00 0.00 61.69 61.09 1jws s THR 154 Cb -0.20 -0.21 -0.05 0.00 -1.51 0.00 0.00 72.50 70.53 1jws s THR 154 CO 0.56 0.02 -0.13 -0.36 -2.21 0.00 0.00 174.62 172.51 1jws s PHE 155 N 0.36 2.42 0.08 9.09 0.40 0.12 -1.46 117.98 128.98 1jws s PHE 155 Ca -0.02 -0.33 -0.15 0.00 -0.60 0.00 0.00 56.93 55.83 1jws s PHE 155 Cb -0.04 -1.11 0.03 0.00 0.51 0.00 0.00 43.02 42.41 1jws s PHE 155 CO -0.01 0.67 0.36 1.14 0.70 0.00 0.00 175.22 178.07 1jws s GLN 156 N -3.57 0.94 -0.02 0.44 -2.07 -0.79 -0.38 119.66 114.22 1jws s GLN 156 Ca 0.31 -0.58 -0.28 0.00 -1.82 0.00 0.00 55.36 52.98 1jws s GLN 156 Cb -0.04 0.41 0.10 0.00 -1.09 0.00 0.00 33.01 32.38 1jws s GLN 156 CO 0.17 -0.33 0.81 -0.08 -1.32 0.00 0.00 175.29 174.54 1jws s THR 157 N -3.12 0.00 -0.08 3.63 -1.32 0.36 -1.45 115.64 113.66 1jws s THR 157 Ca -0.01 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.49 1jws s THR 157 Cb 0.01 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.01 1jws s THR 157 CO -0.07 0.00 -0.15 -0.76 -2.21 0.00 0.00 174.62 171.43 1jws s LEU 158 N -1.98 1.75 -0.27 9.08 1.43 -1.26 -1.11 118.68 126.32 1jws s LEU 158 Ca -0.00 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1jws s LEU 158 Cb -0.01 -0.98 0.08 0.00 0.03 0.00 0.00 46.19 45.31 1jws s LEU 158 CO -0.04 0.06 -0.00 -0.69 0.23 0.00 0.00 176.35 175.91 1jws s VAL 159 N 0.61 1.61 0.66 -1.59 1.01 -0.63 -1.49 120.40 120.58 1jws s VAL 159 Ca -0.15 -1.54 -0.11 0.00 0.00 0.00 0.00 61.98 60.18 1jws s VAL 159 Cb -0.16 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 1jws s VAL 159 CO 0.05 -0.32 1.06 -0.04 0.00 0.00 0.00 175.10 175.84 1jws s MET 160 N 1.31 3.21 -0.26 2.72 -1.94 0.45 -1.93 119.30 122.85 1jws s MET 160 Ca 0.01 0.57 -0.01 0.00 -1.71 0.00 0.00 55.69 54.56 1jws s MET 160 Cb -0.19 -2.06 0.14 0.00 2.01 0.00 0.00 34.83 34.74 1jws s MET 160 CO -0.10 -0.80 0.38 -1.17 -0.01 0.00 0.00 175.02 173.32 1jws s LEU 161 N -5.26 -0.66 0.14 -0.03 2.96 0.16 -2.15 118.68 113.84 1jws s LEU 161 Ca 0.56 -0.08 -0.30 0.00 -0.22 0.00 0.00 54.13 54.09 1jws s LEU 161 Cb -0.11 1.07 -0.08 0.00 0.50 0.00 0.00 46.19 47.57 1jws s LEU 161 CO 0.52 -0.33 1.28 -1.61 -1.32 0.00 0.00 176.35 174.90 1jws s GLU 162 N 2.53 4.40 0.12 1.98 0.41 -1.23 -1.79 118.70 125.13 1jws s GLU 162 Ca 0.11 1.95 -0.01 0.00 -0.41 0.00 0.00 54.97 56.62 1jws s GLU 162 Cb -0.14 -3.26 -0.04 0.00 -1.78 0.00 0.00 34.13 28.91 1jws s GLU 162 CO -0.23 -0.27 0.04 0.95 -0.49 0.00 0.00 175.26 175.26 1jws s THR 163 N 0.59 0.19 -0.57 3.63 -4.23 -0.50 -4.89 115.64 109.85 1jws s THR 163 Ca 0.59 -1.91 0.04 0.00 -1.18 0.00 0.00 61.69 59.23 1jws s THR 163 Cb -0.34 -1.98 0.15 0.00 1.34 0.00 0.00 72.50 71.67 1jws s THR 163 CO 0.33 -0.54 0.36 -0.69 -0.54 0.00 0.00 174.62 173.54 1jws s VAL 164 N -3.98 2.31 0.58 2.29 1.01 -1.26 -1.33 120.40 120.01 1jws s VAL 164 Ca 0.22 -3.53 -0.20 0.00 0.00 0.00 0.00 61.98 58.46 1jws s VAL 164 Cb 0.07 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1jws s VAL 164 CO 0.00 -0.94 1.27 -2.16 0.00 0.00 0.00 175.10 173.27 1jws s PRO 165 N -0.64 3.02 -0.04 2.72 0.04 -1.26 -5.06 135.00 133.78 1jws s PRO 165 Ca 0.22 2.00 -0.01 0.00 0.04 0.00 0.00 61.00 63.25 1jws s PRO 165 Cb -0.14 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.36 1jws s PRO 165 CO -0.09 -1.22 0.08 1.03 0.04 0.00 0.00 177.00 176.84 1jws s ARG 166 N -3.14 0.02 0.07 4.56 1.81 -1.26 -5.10 118.95 115.91 1jws s ARG 166 Ca 0.75 0.24 -0.37 0.00 -1.72 0.00 0.00 55.73 54.63 1jws s ARG 166 Cb -0.35 -0.19 -0.17 0.00 -0.45 0.00 0.00 34.95 33.79 1jws s ARG 166 CO 0.39 -0.15 1.29 0.45 -0.68 0.00 0.00 175.30 176.60 1jws n SER 167 N 4.07 1.32 0.00 0.23 2.88 -1.26 -0.89 113.62 119.96 1jws n SER 167 Ca -0.26 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 1jws n SER 167 Cb 0.52 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 1jws n SER 167 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jws n GLY 168 N 2.33 2.74 3.71 0.46 0.00 -1.26 -5.03 105.19 108.13 1jws n GLY 168 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1jws n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jws s GLU 169 N -0.13 1.67 -0.11 1.61 2.02 -0.07 -4.76 118.70 118.93 1jws s GLU 169 Ca 0.00 1.56 -0.02 0.00 0.02 0.00 0.00 54.97 56.53 1jws s GLU 169 Cb 0.00 -1.80 0.04 0.00 0.10 0.00 0.00 34.13 32.47 1jws s GLU 169 CO 0.00 -2.15 0.04 0.08 0.02 0.00 0.00 175.26 173.25 1jws s VAL 170 N -2.44 0.23 -0.25 2.63 1.01 -1.26 -0.55 120.40 119.77 1jws s VAL 170 Ca 0.69 -0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.57 1jws s VAL 170 Cb -0.24 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1jws s VAL 170 CO 0.53 0.05 0.10 -0.31 0.00 0.00 0.00 175.10 175.46 1jws s TYR 171 N 2.02 3.14 -0.10 5.22 2.02 -0.90 -1.10 117.35 127.64 1jws s TYR 171 Ca 0.03 -0.21 -0.01 0.00 -0.37 0.00 0.00 57.07 56.51 1jws s TYR 171 Cb -0.14 -2.25 -0.03 0.00 -0.40 0.00 0.00 41.96 39.14 1jws s TYR 171 CO -0.06 -0.23 -0.04 0.99 -1.57 0.00 0.00 175.55 174.63 1jws s THR 172 N 1.47 3.88 -0.41 -0.71 2.01 0.03 -0.35 115.64 121.57 1jws s THR 172 Ca 0.06 -0.39 -0.13 0.00 0.31 0.00 0.00 61.69 61.54 1jws s THR 172 Cb -0.15 -2.64 0.04 0.00 0.01 0.00 0.00 72.50 69.77 1jws s THR 172 CO 0.05 0.56 0.27 0.00 -0.69 0.00 0.00 174.62 174.82 1jws s GLN 174 N 1.58 3.77 -0.08 0.00 0.74 0.17 -2.29 119.66 123.56 1jws s GLN 174 Ca 0.03 -0.04 0.02 0.00 0.05 0.00 0.00 55.36 55.43 1jws s GLN 174 Cb -0.21 -3.27 0.01 0.00 1.10 0.00 0.00 33.01 30.64 1jws s GLN 174 CO 0.07 0.60 -0.14 0.08 -0.55 0.00 0.00 175.29 175.34 1jws s VAL 175 N -0.56 1.33 -0.15 1.34 1.01 0.85 -0.51 120.40 123.70 1jws s VAL 175 Ca 0.15 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1jws s VAL 175 Cb -0.13 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.05 1jws s VAL 175 CO 0.04 0.40 -0.16 -1.61 0.00 0.00 0.00 175.10 173.77 1jws s GLU 176 N 0.66 3.20 -0.12 2.72 2.02 0.18 -0.37 118.70 126.99 1jws s GLU 176 Ca -0.14 -0.76 -0.18 0.00 0.02 0.00 0.00 54.97 53.91 1jws s GLU 176 Cb -0.16 -2.61 0.04 0.00 0.10 0.00 0.00 34.13 31.51 1jws s GLU 176 CO 0.04 0.02 0.46 -1.58 0.02 0.00 0.00 175.26 174.21 1jws s HIS 177 N 0.81 -0.46 0.47 1.61 2.46 -1.26 -0.71 115.29 118.21 1jws s HIS 177 Ca -0.06 1.02 0.30 0.00 0.47 0.00 0.00 55.06 56.79 1jws s HIS 177 Cb -0.15 0.18 1.38 0.00 -0.13 0.00 0.00 32.58 33.86 1jws s HIS 177 CO -0.00 -0.32 1.75 -1.35 -2.47 0.00 0.00 174.74 172.34 1jws h PRO 178 N 4.78 0.15 0.00 2.88 0.11 -1.94 -1.24 132.00 136.74 1jws h PRO 178 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1jws h PRO 178 Cb 1.17 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1jws h PRO 178 CO 0.27 0.10 0.00 0.66 -0.21 0.00 0.00 178.00 178.82 1jws h SER 179 N 0.16 0.00 -4.14 -2.05 4.64 -1.89 -3.43 113.55 106.84 1jws h SER 179 Ca 0.65 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 61.48 1jws h SER 179 Cb 2.15 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.94 1jws h SER 179 CO -0.18 0.00 -0.81 0.68 -0.87 0.00 0.00 176.83 175.65 1jws s VAL 180 N -3.48 1.10 -0.01 0.95 -7.23 -0.47 -4.87 120.40 106.39 1jws s VAL 180 Ca 0.01 -0.58 -0.25 0.00 -1.81 0.00 0.00 61.98 59.35 1jws s VAL 180 Cb 0.09 -0.92 -0.19 0.00 0.56 0.00 0.00 36.38 35.92 1jws s VAL 180 CO 0.36 0.31 1.27 0.71 -0.31 0.00 0.00 175.10 177.45 1jws h THR 181 N 4.89 1.19 -3.19 5.32 1.35 -1.84 -3.43 112.91 117.21 1jws h THR 181 Ca -0.34 -0.94 -0.64 0.00 -0.55 0.00 0.00 66.41 63.93 1jws h THR 181 Cb 1.16 1.80 -0.09 0.00 -1.73 0.00 0.00 68.15 69.29 1jws h THR 181 CO 0.49 0.23 -0.60 -0.94 -0.25 0.00 0.00 175.52 174.45 1jws s SER 182 N -5.52 5.51 0.63 5.36 1.04 -1.26 -5.05 113.70 114.41 1jws s SER 182 Ca -0.15 0.01 -0.18 0.00 0.48 0.00 0.00 55.95 56.11 1jws s SER 182 Cb 0.02 -1.49 -0.03 0.00 0.10 0.00 0.00 66.02 64.62 1jws s SER 182 CO 0.64 0.20 1.11 -0.81 0.98 0.00 0.00 173.24 175.35 1jws n PRO 183 N 0.64 0.97 -3.40 4.02 -0.04 -1.26 -4.95 135.00 130.98 1jws n PRO 183 Ca -0.10 0.38 -0.38 0.00 -0.04 0.00 0.00 63.50 63.36 1jws n PRO 183 Cb 0.52 -2.34 -0.06 0.00 -0.04 0.00 0.00 33.50 31.58 1jws n PRO 183 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jws s LEU 184 N -3.16 4.45 -0.01 1.53 1.43 0.51 -4.90 118.68 118.53 1jws s LEU 184 Ca 0.80 1.02 0.02 0.00 -1.03 0.00 0.00 54.13 54.93 1jws s LEU 184 Cb -0.40 -2.69 -0.00 0.00 0.03 0.00 0.00 46.19 43.13 1jws s LEU 184 CO 0.43 0.24 -0.07 0.42 0.23 0.00 0.00 176.35 177.60 1jws s THR 185 N -0.73 0.60 -0.11 5.49 -4.23 -1.26 -0.11 115.64 115.28 1jws s THR 185 Ca 0.26 -0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 60.44 1jws s THR 185 Cb -0.17 -0.51 0.04 0.00 1.34 0.00 0.00 72.50 73.20 1jws s THR 185 CO 0.14 0.17 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.70 1jws s VAL 186 N -0.12 0.57 0.23 2.29 1.01 -0.97 -4.99 120.40 118.43 1jws s VAL 186 Ca 0.02 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1jws s VAL 186 Cb -0.04 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 1jws s VAL 186 CO -0.00 0.16 0.39 -1.61 0.00 0.00 0.00 175.10 174.04 1jws s GLU 187 N 1.88 3.47 -0.24 2.72 2.02 -1.26 -0.93 118.70 126.35 1jws s GLU 187 Ca 0.03 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.47 1jws s GLU 187 Cb -0.14 -2.85 0.06 0.00 0.10 0.00 0.00 34.13 31.31 1jws s GLU 187 CO -0.07 0.39 -0.04 -0.46 0.02 0.00 0.00 175.26 175.10 1jws s TRP 188 N -1.98 2.45 -0.21 1.61 -0.11 0.53 -4.96 118.94 116.27 1jws s TRP 188 Ca 0.36 -1.82 -0.29 0.00 1.22 0.00 0.00 56.10 55.57 1jws s TRP 188 Cb -0.10 -1.65 0.00 0.00 -1.50 0.00 0.00 33.47 30.22 1jws s TRP 188 CO 0.30 -0.79 1.15 1.03 -4.62 0.00 0.00 176.95 174.02 1jws s ARG 189 N 1.38 4.21 0.00 5.86 1.81 -1.26 -2.12 118.95 128.83 1jws s ARG 189 Ca -0.05 1.46 0.31 0.00 -1.72 0.00 0.00 55.73 55.73 1jws s ARG 189 Cb -0.19 -3.71 1.69 0.00 -0.45 0.00 0.00 34.95 32.29 1jws s ARG 189 CO -0.07 -0.71 2.10 0.00 -0.68 0.00 0.00 175.30 175.94