#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwu s ASP 2 N 0.00 5.15 0.00 1.61 -1.08 -1.26 -4.89 116.67 116.21 1jwu s ASP 2 Ca 0.00 -1.72 0.03 0.00 -0.52 0.00 0.00 52.55 50.34 1jwu s ASP 2 Cb 0.00 -1.80 0.04 0.00 -1.46 0.00 0.00 42.92 39.70 1jwu s ASP 2 CO 0.00 -0.44 0.69 0.35 0.52 0.00 0.00 175.17 176.29 1jwu n THR 3 N 4.62 0.16 -1.74 1.71 -2.24 -1.26 -5.04 114.28 110.50 1jwu n THR 3 Ca -0.06 -0.58 -0.41 0.00 -2.27 0.00 0.00 64.05 60.72 1jwu n THR 3 Cb 0.42 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1jwu n THR 3 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jwu n ARG 4 N 0.13 2.32 -2.02 -0.78 1.74 -1.26 -4.93 116.66 111.86 1jwu n ARG 4 Ca 0.02 0.82 -0.35 0.00 -0.77 0.00 0.00 57.85 57.57 1jwu n ARG 4 Cb 0.12 -2.51 0.03 0.00 -1.02 0.00 0.00 32.46 29.08 1jwu n ARG 4 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1jwu s PRO 5 N -2.10 3.02 0.15 5.56 0.04 -1.26 -5.03 135.00 135.37 1jwu s PRO 5 Ca 0.56 1.69 0.06 0.00 0.04 0.00 0.00 61.00 63.35 1jwu s PRO 5 Cb -0.51 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1jwu s PRO 5 CO 0.62 -1.14 0.06 1.03 0.04 0.00 0.00 177.00 177.61 1jwu s ARG 6 N -3.46 2.68 -0.08 4.56 1.81 -1.26 -5.11 118.95 118.09 1jwu s ARG 6 Ca 0.74 -0.93 -0.01 0.00 -1.72 0.00 0.00 55.73 53.82 1jwu s ARG 6 Cb -0.27 -2.54 0.03 0.00 -0.45 0.00 0.00 34.95 31.72 1jwu s ARG 6 CO 0.33 0.49 -0.03 -0.06 -0.68 0.00 0.00 175.30 175.35 1jwu s PHE 7 N -1.63 0.94 0.11 -0.53 0.08 -1.26 -5.13 117.98 110.55 1jwu s PHE 7 Ca 0.29 -0.35 0.08 0.00 0.12 0.00 0.00 56.93 57.07 1jwu s PHE 7 Cb -0.10 -0.92 -0.04 0.00 -0.57 0.00 0.00 43.02 41.39 1jwu s PHE 7 CO 0.21 -0.36 -0.14 -1.17 -0.10 0.00 0.00 175.22 173.65 1jwu s LEU 8 N 1.73 2.86 -0.06 -0.37 2.96 -1.26 -5.10 118.68 119.44 1jwu s LEU 8 Ca 0.03 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.44 1jwu s LEU 8 Cb -0.13 -1.68 0.04 0.00 0.50 0.00 0.00 46.19 44.92 1jwu s LEU 8 CO -0.05 0.18 0.12 0.86 -1.32 0.00 0.00 176.35 176.13 1jwu s TRP 9 N -1.17 -0.10 0.09 5.38 -0.11 -1.21 -3.66 118.94 118.16 1jwu s TRP 9 Ca 0.19 0.42 0.08 0.00 1.22 0.00 0.00 56.10 58.01 1jwu s TRP 9 Cb -0.11 -0.20 -0.03 0.00 -1.50 0.00 0.00 33.47 31.63 1jwu s TRP 9 CO 0.12 -0.18 -0.20 -0.65 -4.62 0.00 0.00 176.95 171.42 1jwu s GLN 10 N 1.55 1.09 -0.05 5.86 -0.21 -0.65 -5.01 119.66 122.24 1jwu s GLN 10 Ca -0.05 -1.10 0.01 0.00 0.02 0.00 0.00 55.36 54.24 1jwu s GLN 10 Cb -0.12 -1.30 0.02 0.00 1.00 0.00 0.00 33.01 32.61 1jwu s GLN 10 CO -0.05 0.30 -0.03 -1.17 -2.12 0.00 0.00 175.29 172.22 1jwu s LEU 11 N -1.81 1.18 -0.07 2.90 2.96 -1.26 -1.80 118.68 120.78 1jwu s LEU 11 Ca 0.05 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 1jwu s LEU 11 Cb -0.10 -0.42 0.02 0.00 0.50 0.00 0.00 46.19 46.20 1jwu s LEU 11 CO 0.04 -0.09 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.40 1jwu s LYS 12 N 1.12 0.97 -0.32 1.98 1.02 -0.44 -5.01 119.74 119.06 1jwu s LYS 12 Ca -0.08 -0.10 -0.05 0.00 0.02 0.00 0.00 55.97 55.76 1jwu s LYS 12 Cb -0.14 -1.05 0.04 0.00 -0.52 0.00 0.00 37.83 36.16 1jwu s LYS 12 CO -0.01 -0.16 0.06 -0.06 -0.92 0.00 0.00 175.35 174.25 1jwu s PHE 13 N 1.31 3.24 -0.24 3.18 0.40 -1.26 -0.94 117.98 123.68 1jwu s PHE 13 Ca -0.04 -1.56 -0.07 0.00 -0.60 0.00 0.00 56.93 54.66 1jwu s PHE 13 Cb -0.14 -2.20 -0.03 0.00 0.51 0.00 0.00 43.02 41.17 1jwu s PHE 13 CO -0.02 -0.75 0.05 -1.21 0.70 0.00 0.00 175.22 173.99 1jwu s GLU 14 N 1.35 3.63 -0.35 0.44 2.02 -0.05 -4.95 118.70 120.79 1jwu s GLU 14 Ca -0.03 -0.50 -0.13 0.00 0.02 0.00 0.00 54.97 54.34 1jwu s GLU 14 Cb -0.19 -3.25 -0.01 0.00 0.10 0.00 0.00 34.13 30.78 1jwu s GLU 14 CO 0.01 -0.14 0.25 0.00 0.02 0.00 0.00 175.26 175.40 1jwu s HIS 16 N 1.71 3.17 -0.15 0.00 3.76 0.27 -4.96 115.29 119.09 1jwu s HIS 16 Ca 0.06 -0.10 -0.04 0.00 -0.15 0.00 0.00 55.06 54.83 1jwu s HIS 16 Cb -0.18 -2.31 -0.03 0.00 1.11 0.00 0.00 32.58 31.17 1jwu s HIS 16 CO 0.10 -0.23 -0.01 -0.06 -0.85 0.00 0.00 174.74 173.69 1jwu s PHE 17 N 1.66 3.10 -0.08 1.40 0.08 -1.26 -1.31 117.98 121.57 1jwu s PHE 17 Ca 0.07 -0.11 0.03 0.00 0.12 0.00 0.00 56.93 57.04 1jwu s PHE 17 Cb -0.16 -1.95 0.01 0.00 -0.57 0.00 0.00 43.02 40.35 1jwu s PHE 17 CO 0.08 0.11 -0.18 -0.06 -0.10 0.00 0.00 175.22 175.08 1jwu s PHE 18 N 0.10 1.98 -0.77 0.36 0.40 -0.21 -4.82 117.98 115.02 1jwu s PHE 18 Ca 0.01 -0.79 -0.00 0.00 -0.60 0.00 0.00 56.93 55.54 1jwu s PHE 18 Cb -0.13 -1.38 -0.00 0.00 0.51 0.00 0.00 43.02 42.02 1jwu s PHE 18 CO 0.02 -0.36 0.70 -1.71 0.70 0.00 0.00 175.22 174.57 1jwu n ASN 19 N 3.72 -7.34 0.00 1.36 2.85 -1.26 -2.07 115.26 112.52 1jwu n ASN 19 Ca -0.21 -0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.04 1jwu n ASN 19 Cb 0.52 -4.81 0.00 0.00 1.24 0.00 0.00 39.78 36.73 1jwu n ASN 19 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1jwu n GLY 20 N -1.73 3.21 0.27 8.20 0.00 -1.26 -1.34 105.19 112.53 1jwu n GLY 20 Ca -0.05 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.05 1jwu n GLY 20 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1jwu n THR 21 N 0.00 2.01 0.35 2.61 5.66 -1.26 -4.79 114.28 118.86 1jwu n THR 21 Ca 0.00 -2.60 -0.17 0.00 -3.05 0.00 0.00 64.05 58.23 1jwu n THR 21 Cb 0.00 -0.24 -0.08 0.00 -1.55 0.00 0.00 70.33 68.46 1jwu n THR 21 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1jwu h GLU 22 N 0.37 -0.86 -5.29 1.09 5.08 -1.17 -3.42 114.58 110.39 1jwu h GLU 22 Ca 0.00 0.06 -0.67 0.00 -1.00 0.00 0.00 59.36 57.75 1jwu h GLU 22 Cb 1.01 0.19 -0.30 0.00 0.50 0.00 0.00 28.75 30.16 1jwu h GLU 22 CO 0.01 -0.54 -0.82 0.50 -1.00 0.00 0.00 179.01 177.16 1jwu s ARG 23 N -5.41 3.22 0.02 2.33 3.52 -0.88 -5.02 118.95 116.74 1jwu s ARG 23 Ca -0.16 -0.77 0.07 0.00 -0.13 0.00 0.00 55.73 54.73 1jwu s ARG 23 Cb 0.02 -2.52 -0.02 0.00 -1.56 0.00 0.00 34.95 30.87 1jwu s ARG 23 CO 0.55 0.14 -0.20 0.08 -0.81 0.00 0.00 175.30 175.06 1jwu s VAL 24 N 0.49 1.60 -0.07 7.11 1.01 -1.26 -1.04 120.40 128.24 1jwu s VAL 24 Ca -0.12 -1.06 -0.00 0.00 0.00 0.00 0.00 61.98 60.79 1jwu s VAL 24 Cb -0.16 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.87 1jwu s VAL 24 CO 0.05 0.28 -0.03 -0.60 0.00 0.00 0.00 175.10 174.80 1jwu s ARG 25 N -0.92 0.84 -0.16 2.72 3.52 -0.42 -4.96 118.95 119.56 1jwu s ARG 25 Ca 0.07 -0.02 -0.09 0.00 -0.13 0.00 0.00 55.73 55.56 1jwu s ARG 25 Cb -0.08 -1.04 -0.05 0.00 -1.56 0.00 0.00 34.95 32.23 1jwu s ARG 25 CO 0.01 -0.22 0.14 -1.17 -0.81 0.00 0.00 175.30 173.25 1jwu s LEU 26 N 1.58 4.30 -0.24 -0.88 2.96 -1.26 -0.56 118.68 124.58 1jwu s LEU 26 Ca -0.00 0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 54.26 1jwu s LEU 26 Cb -0.13 -2.10 0.07 0.00 0.50 0.00 0.00 46.19 44.53 1jwu s LEU 26 CO -0.04 0.29 0.02 -0.22 -1.32 0.00 0.00 176.35 175.07 1jwu s LEU 27 N -0.30 1.99 -0.24 -0.68 2.96 -0.05 -0.93 118.68 121.43 1jwu s LEU 27 Ca 0.12 -1.15 -0.12 0.00 -0.22 0.00 0.00 54.13 52.76 1jwu s LEU 27 Cb -0.12 -0.89 -0.05 0.00 0.50 0.00 0.00 46.19 45.64 1jwu s LEU 27 CO 0.01 -0.30 0.22 -0.70 -1.32 0.00 0.00 176.35 174.26 1jwu s GLU 28 N 1.62 4.06 -0.00 1.98 2.12 0.86 -0.87 118.70 128.47 1jwu s GLU 28 Ca -0.00 -0.17 0.02 0.00 0.36 0.00 0.00 54.97 55.17 1jwu s GLU 28 Cb -0.18 -3.57 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 1jwu s GLU 28 CO -0.11 -0.03 -0.05 -0.98 -0.54 0.00 0.00 175.26 173.55 1jwu s ARG 29 N 1.32 0.43 -0.14 4.30 1.70 -0.12 0.37 118.95 126.81 1jwu s ARG 29 Ca 0.10 -0.23 -0.01 0.00 -0.47 0.00 0.00 55.73 55.12 1jwu s ARG 29 Cb -0.14 -0.40 -0.02 0.00 -0.57 0.00 0.00 34.95 33.82 1jwu s ARG 29 CO 0.07 0.11 -0.10 0.00 -1.08 0.00 0.00 175.30 174.29 1jwu s ILE 31 N 0.38 1.77 0.00 0.00 1.09 -0.74 -0.26 121.20 123.44 1jwu s ILE 31 Ca -0.09 -0.78 0.00 0.00 -1.10 0.00 0.00 60.65 58.69 1jwu s ILE 31 Cb -0.15 -1.62 0.00 0.00 -1.06 0.00 0.00 42.46 39.63 1jwu s ILE 31 CO 0.05 0.49 0.00 0.00 -0.10 0.00 0.00 174.94 175.38 1jwu n TYR 32 N 4.51 0.00 0.00 3.97 9.36 0.03 -1.64 117.16 133.39 1jwu n TYR 32 Ca -0.19 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.03 1jwu n TYR 32 Cb 0.50 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 1jwu n TYR 32 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1jwu n ASN 33 N -0.01 0.00 -0.14 2.98 3.02 -1.24 -3.32 115.26 116.56 1jwu n ASN 33 Ca 0.00 0.10 0.06 0.00 -0.03 0.00 0.00 54.58 54.70 1jwu n ASN 33 Cb 0.00 -0.23 0.08 0.00 -0.61 0.00 0.00 39.78 39.02 1jwu n ASN 33 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1jwu n GLN 34 N -1.62 1.25 -4.64 3.52 7.27 -1.26 -4.86 117.38 117.04 1jwu n GLN 34 Ca 0.00 -1.93 -0.30 0.00 0.07 0.00 0.00 57.00 54.84 1jwu n GLN 34 Cb 0.00 -1.14 -0.17 0.00 2.41 0.00 0.00 30.24 31.34 1jwu n GLN 34 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1jwu s GLU 35 N -1.78 2.49 0.02 3.69 2.02 -1.26 -5.10 118.70 118.78 1jwu s GLU 35 Ca 0.18 -0.67 -0.30 0.00 0.02 0.00 0.00 54.97 54.20 1jwu s GLU 35 Cb 0.16 -2.04 -0.06 0.00 0.10 0.00 0.00 34.13 32.29 1jwu s GLU 35 CO 0.02 -0.00 1.41 -2.00 0.02 0.00 0.00 175.26 174.70 1jwu s GLU 36 N 0.81 4.28 -0.20 1.61 2.12 -1.26 -0.79 118.70 125.28 1jwu s GLU 36 Ca -0.09 2.00 0.05 0.00 0.36 0.00 0.00 54.97 57.28 1jwu s GLU 36 Cb -0.16 -3.53 -0.15 0.00 0.26 0.00 0.00 34.13 30.55 1jwu s GLU 36 CO 0.01 -0.56 -0.13 -1.13 -0.54 0.00 0.00 175.26 172.91 1jwu n SER 37 N 5.18 2.00 -3.85 -1.70 3.41 0.63 -4.24 113.62 115.06 1jwu n SER 37 Ca 0.13 -0.09 -0.11 0.00 -0.26 0.00 0.00 58.87 58.54 1jwu n SER 37 Cb 0.43 -0.03 -0.09 0.00 -0.26 0.00 0.00 64.21 64.25 1jwu n SER 37 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jwu s VAL 38 N -2.42 0.09 0.10 -3.33 1.01 -1.23 0.84 120.40 115.47 1jwu s VAL 38 Ca -0.24 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 60.87 1jwu s VAL 38 Cb 0.07 -0.56 0.04 0.00 0.00 0.00 0.00 36.38 35.92 1jwu s VAL 38 CO 0.54 -0.39 0.41 0.00 0.00 0.00 0.00 175.10 175.66 1jwu s ARG 39 N -1.63 1.04 -0.18 2.72 1.70 -0.79 -0.94 118.95 120.88 1jwu s ARG 39 Ca -0.13 -0.61 0.00 0.00 -0.47 0.00 0.00 55.73 54.52 1jwu s ARG 39 Cb -0.06 0.46 0.04 0.00 -0.57 0.00 0.00 34.95 34.82 1jwu s ARG 39 CO 0.01 -0.40 -0.07 0.12 -1.08 0.00 0.00 175.30 173.88 1jwu s PHE 40 N -3.46 1.98 -0.31 5.89 2.19 0.16 -1.00 117.98 123.43 1jwu s PHE 40 Ca 0.01 -1.28 -0.09 0.00 0.33 0.00 0.00 56.93 55.90 1jwu s PHE 40 Cb 0.01 -1.45 0.00 0.00 -1.31 0.00 0.00 43.02 40.28 1jwu s PHE 40 CO -0.10 -0.67 0.13 0.34 1.83 0.00 0.00 175.22 176.76 1jwu s ASP 41 N 1.54 5.43 0.57 6.13 -1.08 -1.26 -0.10 116.67 127.91 1jwu s ASP 41 Ca 0.00 -0.66 0.28 0.00 -0.52 0.00 0.00 52.55 51.65 1jwu s ASP 41 Cb -0.15 -1.96 1.51 0.00 -1.46 0.00 0.00 42.92 40.85 1jwu s ASP 41 CO -0.08 -0.22 1.97 0.77 0.52 0.00 0.00 175.17 178.13 1jwu h SER 42 N 8.32 0.00 0.63 -0.34 4.64 -1.40 0.61 113.55 126.01 1jwu h SER 42 Ca -0.31 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.95 1jwu h SER 42 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1jwu h SER 42 CO 0.62 0.00 -0.31 0.44 -0.87 0.00 0.00 176.83 176.71 1jwu h ASP 43 N 0.00 0.00 0.25 4.97 3.32 -1.93 -3.08 116.42 119.95 1jwu h ASP 43 Ca 0.20 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.91 1jwu h ASP 43 Cb 0.98 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 1jwu h ASP 43 CO -0.00 0.31 -1.93 0.52 -1.72 0.00 0.00 179.24 176.41 1jwu n VAL 44 N -3.68 1.69 -0.54 -1.35 0.31 0.19 -5.00 118.33 109.95 1jwu n VAL 44 Ca -0.01 -0.71 0.00 0.00 -0.01 0.00 0.00 64.34 63.61 1jwu n VAL 44 Cb 0.42 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 1jwu n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jwu n GLY 45 N 1.84 0.76 3.64 2.92 0.00 -0.08 -5.03 105.19 109.25 1jwu n GLY 45 Ca -0.27 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 1jwu n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jwu s GLU 46 N -0.46 1.54 0.31 1.61 -1.05 -1.26 -4.96 118.70 114.44 1jwu s GLU 46 Ca 0.00 -0.81 -0.28 0.00 -0.15 0.00 0.00 54.97 53.73 1jwu s GLU 46 Cb 0.00 0.58 -0.09 0.00 -0.44 0.00 0.00 34.13 34.18 1jwu s GLU 46 CO 0.00 -0.68 1.11 0.71 0.95 0.00 0.00 175.26 177.34 1jwu s TYR 47 N -3.86 3.46 -0.03 4.83 2.02 -1.26 -4.08 117.35 118.44 1jwu s TYR 47 Ca 0.08 1.67 0.02 0.00 -0.37 0.00 0.00 57.07 58.46 1jwu s TYR 47 Cb -0.03 -3.29 0.01 0.00 -0.40 0.00 0.00 41.96 38.25 1jwu s TYR 47 CO -0.01 -0.69 -0.08 1.03 -1.57 0.00 0.00 175.55 174.23 1jwu s ARG 48 N -1.69 0.91 0.31 -0.62 1.81 -0.17 -4.89 118.95 114.61 1jwu s ARG 48 Ca 0.48 -0.24 -0.28 0.00 -1.72 0.00 0.00 55.73 53.96 1jwu s ARG 48 Cb -0.31 -0.86 -0.09 0.00 -0.45 0.00 0.00 34.95 33.24 1jwu s ARG 48 CO 0.39 0.06 1.07 0.00 -0.68 0.00 0.00 175.30 176.14 1jwu s ALA 49 N 0.38 3.32 -0.12 2.13 0.00 -1.26 -1.89 121.76 124.31 1jwu s ALA 49 Ca -0.06 0.82 0.19 0.00 0.00 0.00 0.00 51.96 52.92 1jwu s ALA 49 Cb -0.10 -3.30 -0.26 0.00 0.00 0.00 0.00 23.12 19.46 1jwu s ALA 49 CO 0.01 -0.14 0.37 0.28 0.00 0.00 0.00 175.76 176.28 1jwu n VAL 50 N 0.88 0.81 -4.00 0.00 0.31 0.25 -4.92 118.33 111.66 1jwu n VAL 50 Ca 0.00 -0.69 -0.08 0.00 -0.01 0.00 0.00 64.34 63.56 1jwu n VAL 50 Cb 0.46 -0.33 -0.09 0.00 -0.91 0.00 0.00 33.84 32.98 1jwu n VAL 50 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1jwu s THR 51 N -2.97 0.15 0.44 2.52 -4.23 -1.05 -4.95 115.64 105.55 1jwu s THR 51 Ca -0.08 -1.55 0.18 0.00 -1.18 0.00 0.00 61.69 59.05 1jwu s THR 51 Cb 0.10 -1.60 0.37 0.00 1.34 0.00 0.00 72.50 72.71 1jwu s THR 51 CO 0.86 -0.69 1.90 -0.33 -0.54 0.00 0.00 174.62 175.82 1jwu h GLU 52 N 2.88 0.36 -0.26 3.99 4.39 -1.93 0.22 114.58 124.22 1jwu h GLU 52 Ca -0.34 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.42 1jwu h GLU 52 Cb 1.18 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 1jwu h GLU 52 CO 0.59 0.24 0.26 -0.07 -1.16 0.00 0.00 179.01 178.87 1jwu h LEU 53 N 0.37 0.00 -0.36 1.33 3.38 -1.96 -1.90 115.31 116.16 1jwu h LEU 53 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1jwu h LEU 53 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1jwu h LEU 53 CO -0.13 0.00 -0.47 0.61 0.09 0.00 0.00 178.44 178.55 1jwu n GLY 54 N -1.45 -0.74 0.17 0.83 0.00 0.76 -4.51 105.19 100.25 1jwu n GLY 54 Ca 0.03 -0.45 -0.04 0.00 0.00 0.00 0.00 46.02 45.56 1jwu n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jwu h ARG 55 N 0.89 0.06 -0.94 1.61 3.08 -1.36 -2.12 114.38 115.60 1jwu h ARG 55 Ca 0.00 -0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.22 1jwu h ARG 55 Cb 0.54 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.48 1jwu h ARG 55 CO 0.00 0.04 0.52 -1.35 -1.07 0.00 0.00 179.97 178.11 1jwu h PRO 56 N 0.06 0.65 -0.03 0.04 0.11 -1.79 -1.40 132.00 129.64 1jwu h PRO 56 Ca 0.20 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1jwu h PRO 56 Cb 0.30 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 1jwu h PRO 56 CO -0.37 0.43 -0.05 -0.44 -0.21 0.00 0.00 178.00 177.36 1jwu h ASP 57 N 0.67 0.09 -0.47 -2.05 3.32 -1.70 -0.69 116.42 115.59 1jwu h ASP 57 Ca 0.54 -0.54 0.06 0.00 0.02 0.00 0.00 57.03 57.11 1jwu h ASP 57 Cb 0.83 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.30 1jwu h ASP 57 CO -0.39 0.62 0.17 0.00 -1.72 0.00 0.00 179.24 177.91 1jwu h ALA 58 N 0.48 0.57 -0.04 3.45 0.00 -1.13 0.34 119.26 122.93 1jwu h ALA 58 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jwu h ALA 58 Cb 0.60 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1jwu h ALA 58 CO 0.01 -0.22 0.01 0.93 0.00 0.00 0.00 179.25 179.99 1jwu h GLU 59 N 0.35 0.05 0.02 0.00 5.08 -1.26 -1.47 114.58 117.35 1jwu h GLU 59 Ca 0.22 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1jwu h GLU 59 Cb 0.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1jwu h GLU 59 CO -0.22 0.20 -0.01 -0.92 -1.00 0.00 0.00 179.01 177.06 1jwu h TYR 60 N -0.10 -0.02 -0.84 4.33 3.20 -0.78 -2.89 116.97 119.86 1jwu h TYR 60 Ca 0.01 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 1jwu h TYR 60 Cb 0.17 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 1jwu h TYR 60 CO -0.02 0.13 0.42 -1.49 -1.64 0.00 0.00 178.16 175.56 1jwu h TRP 61 N -0.18 1.19 0.00 -3.82 6.55 -0.34 -2.17 115.95 117.18 1jwu h TRP 61 Ca -0.00 -0.05 0.00 0.00 0.95 0.00 0.00 58.89 59.79 1jwu h TRP 61 Cb 0.17 -0.37 0.00 0.00 -0.86 0.00 0.00 29.16 28.10 1jwu h TRP 61 CO -0.03 0.85 0.00 -0.91 -1.05 0.00 0.00 178.44 177.31 1jwu h ASN 62 N 1.18 0.00 0.11 -3.49 2.35 -1.24 -1.72 115.58 112.78 1jwu h ASN 62 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1jwu h ASN 62 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1jwu h ASN 62 CO -0.04 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.20 1jwu n SER 63 N -3.07 0.00 -4.09 5.81 3.41 -0.82 -4.40 113.62 110.47 1jwu n SER 63 Ca -0.01 -0.72 -0.35 0.00 -0.26 0.00 0.00 58.87 57.52 1jwu n SER 63 Cb 0.21 -0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 63.99 1jwu n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1jwu s GLN 64 N -2.12 2.18 0.42 4.33 -0.21 -0.65 -4.95 119.66 118.65 1jwu s GLN 64 Ca 0.39 -2.17 0.08 0.00 0.02 0.00 0.00 55.36 53.68 1jwu s GLN 64 Cb 0.19 -3.59 0.88 0.00 1.00 0.00 0.00 33.01 31.50 1jwu s GLN 64 CO 0.35 -1.11 2.06 0.87 -2.12 0.00 0.00 175.29 175.34 1jwu h LYS 65 N 7.49 0.51 -0.38 2.91 6.56 -1.83 -1.43 116.57 130.41 1jwu h LYS 65 Ca -0.08 -0.03 0.01 0.00 -1.06 0.00 0.00 60.65 59.49 1jwu h LYS 65 Cb 0.99 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 32.52 1jwu h LYS 65 CO 0.69 0.34 0.24 -0.44 -2.06 0.00 0.00 179.45 178.22 1jwu h ASP 66 N 0.53 0.40 -0.70 0.86 3.32 -1.95 0.82 116.42 119.71 1jwu h ASP 66 Ca 0.15 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1jwu h ASP 66 Cb -0.02 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1jwu h ASP 66 CO -0.03 0.29 0.34 0.25 -1.72 0.00 0.00 179.24 178.36 1jwu h LEU 67 N 0.48 0.91 -0.53 1.55 5.85 -1.68 -2.55 115.31 119.34 1jwu h LEU 67 Ca 0.14 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1jwu h LEU 67 Cb -0.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1jwu h LEU 67 CO -0.05 0.78 0.22 -0.07 -0.34 0.00 0.00 178.44 178.98 1jwu h LEU 68 N 0.97 0.72 0.02 2.25 4.07 -0.70 -2.11 115.31 120.53 1jwu h LEU 68 Ca 0.24 -0.16 0.01 0.00 0.08 0.00 0.00 57.88 58.05 1jwu h LEU 68 Cb 0.11 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 1jwu h LEU 68 CO -0.03 0.68 -0.08 -0.33 -1.08 0.00 0.00 178.44 177.60 1jwu h GLU 69 N 0.71 -0.15 -0.28 1.13 5.08 -0.62 0.47 114.58 120.92 1jwu h GLU 69 Ca 0.18 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.60 1jwu h GLU 69 Cb 0.18 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1jwu h GLU 69 CO -0.02 -0.10 -0.07 0.37 -1.00 0.00 0.00 179.01 178.19 1jwu h GLN 70 N -0.16 -0.00 -0.72 2.33 -0.00 -1.37 -0.80 115.11 114.39 1jwu h GLN 70 Ca 0.03 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.69 1jwu h GLN 70 Cb 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.63 1jwu h GLN 70 CO -0.07 -0.00 0.47 0.00 0.00 0.00 0.00 178.83 179.22 1jwu h ARG 71 N -0.00 0.92 -0.61 1.69 -0.00 -1.07 -1.34 114.38 113.96 1jwu h ARG 71 Ca 0.13 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.98 59.48 1jwu h ARG 71 Cb 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 29.97 29.94 1jwu h ARG 71 CO -0.29 0.61 0.07 0.00 0.00 0.00 0.00 179.97 180.36 1jwu h ARG 72 N 0.95 1.02 -0.00 0.04 3.08 -0.28 -2.28 114.38 116.90 1jwu h ARG 72 Ca 0.27 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jwu h ARG 72 Cb -0.08 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.85 1jwu h ARG 72 CO -0.07 0.95 -0.01 0.00 -1.07 0.00 0.00 179.97 179.77 1jwu n ALA 73 N -2.47 2.65 0.24 0.04 0.00 -0.36 -3.79 120.51 116.82 1jwu n ALA 73 Ca 0.04 -0.23 0.10 0.00 0.00 0.00 0.00 53.44 53.35 1jwu n ALA 73 Cb 0.30 -1.45 0.59 0.00 0.00 0.00 0.00 19.45 18.89 1jwu n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jwu h ALA 74 N 3.93 1.23 -0.05 0.00 0.00 -0.63 -1.26 119.26 122.48 1jwu h ALA 74 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1jwu h ALA 74 Cb 0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1jwu h ALA 74 CO 0.00 0.24 0.08 -0.39 0.00 0.00 0.00 179.25 179.18 1jwu h VAL 75 N 0.00 0.34 0.00 0.00 -1.51 -1.74 0.18 116.25 113.52 1jwu h VAL 75 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1jwu h VAL 75 Cb 0.50 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1jwu h VAL 75 CO 0.02 0.00 -0.49 0.47 -1.23 0.00 0.00 177.57 176.34 1jwu n ASP 76 N -3.58 1.07 0.31 4.19 8.00 -0.54 -1.51 116.55 124.50 1jwu n ASP 76 Ca -0.02 0.25 0.20 0.00 0.71 0.00 0.00 54.79 55.93 1jwu n ASP 76 Cb 0.17 -0.65 1.04 0.00 -0.02 0.00 0.00 41.12 41.66 1jwu n ASP 76 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1jwu h THR 77 N -0.56 0.17 0.00 -3.53 1.35 -1.42 -2.22 112.91 106.70 1jwu h THR 77 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1jwu h THR 77 Cb 0.49 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1jwu h THR 77 CO 0.00 0.01 -0.11 0.00 -0.25 0.00 0.00 175.52 175.17 1jwu n TYR 78 N -3.30 0.00 0.15 4.73 9.36 0.49 -4.55 117.16 124.04 1jwu n TYR 78 Ca -0.02 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.13 1jwu n TYR 78 Cb 0.12 -0.05 -0.03 0.00 -0.63 0.00 0.00 39.34 38.75 1jwu n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1jwu h ARG 80 N -0.40 0.84 -0.13 0.00 3.08 -1.26 -1.30 114.38 115.21 1jwu h ARG 80 Ca -0.04 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1jwu h ARG 80 Cb 0.31 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1jwu h ARG 80 CO 0.05 0.56 0.04 1.25 -1.07 0.00 0.00 179.97 180.80 1jwu h HIS 81 N 0.87 0.21 0.00 3.04 2.76 -1.37 -2.62 115.15 118.03 1jwu h HIS 81 Ca 0.37 -0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.46 1jwu h HIS 81 Cb 0.32 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 1jwu h HIS 81 CO -0.00 0.33 -0.28 -0.91 -1.30 0.00 0.00 177.93 175.77 1jwu h ASN 82 N 0.02 0.00 -0.27 3.26 2.35 -0.72 -1.90 115.58 118.32 1jwu h ASN 82 Ca 0.04 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1jwu h ASN 82 Cb 0.22 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1jwu h ASN 82 CO -0.00 0.28 0.09 0.22 -1.65 0.00 0.00 177.43 176.37 1jwu h TYR 83 N 0.00 0.44 -0.54 1.19 5.03 -1.08 -2.99 116.97 119.02 1jwu h TYR 83 Ca -0.00 -0.04 -0.11 0.00 2.58 0.00 0.00 58.73 61.15 1jwu h TYR 83 Cb 0.63 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.76 1jwu h TYR 83 CO 0.00 0.48 -0.10 0.78 -1.32 0.00 0.00 178.16 178.00 1jwu h GLY 84 N 0.28 1.08 0.03 1.82 0.00 -1.14 -1.90 103.07 103.25 1jwu h GLY 84 Ca 0.09 -0.86 0.12 0.00 0.00 0.00 0.00 47.33 46.68 1jwu h GLY 84 CO -0.00 0.79 0.05 -2.08 0.00 0.00 0.00 176.54 175.30 1jwu h VAL 85 N 0.89 0.55 -0.18 4.60 2.07 -1.22 -3.00 116.25 119.96 1jwu h VAL 85 Ca 0.14 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1jwu h VAL 85 Cb 0.66 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1jwu h VAL 85 CO 0.05 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.28 1jwu n GLY 86 N -1.34 4.26 0.34 2.17 0.00 -1.16 -4.74 105.19 104.72 1jwu n GLY 86 Ca 0.09 -1.05 -0.00 0.00 0.00 0.00 0.00 46.02 45.06 1jwu n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jwu h GLU 87 N 1.26 1.09 -0.74 1.61 4.81 -1.19 -2.11 114.58 119.30 1jwu h GLU 87 Ca 0.00 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1jwu h GLU 87 Cb 1.29 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 1jwu h GLU 87 CO 0.15 0.72 0.38 0.66 -0.73 0.00 0.00 179.01 180.19 1jwu h SER 88 N 1.12 0.92 -0.53 1.04 4.64 -1.85 -1.40 113.55 117.49 1jwu h SER 88 Ca 0.37 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1jwu h SER 88 Cb 0.05 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 1jwu h SER 88 CO -0.14 0.76 0.00 2.22 -0.87 0.00 0.00 176.83 178.80 1jwu n PHE 89 N -4.35 0.95 0.00 4.77 -1.74 -1.12 -4.06 117.46 111.91 1jwu n PHE 89 Ca 0.07 -0.57 0.00 0.00 -0.56 0.00 0.00 57.45 56.39 1jwu n PHE 89 Cb 0.11 -0.11 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1jwu n PHE 89 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 1jwu n THR 90 N 0.91 0.00 -0.33 1.97 -2.24 -0.81 -4.54 114.28 109.24 1jwu n THR 90 Ca 0.20 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.06 1jwu n THR 90 Cb 0.66 -0.31 0.25 0.00 -2.10 0.00 0.00 70.33 68.83 1jwu n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1jwu h VAL 91 N 0.00 0.80 -0.54 2.28 2.07 -1.66 -1.36 116.25 117.84 1jwu h VAL 91 Ca 0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1jwu h VAL 91 Cb 0.00 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.71 1jwu h VAL 91 CO 0.00 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.73 1jwu n GLN 92 N -4.75 2.30 -2.34 1.57 6.02 -0.56 -4.94 117.38 114.69 1jwu n GLN 92 Ca 0.19 -2.02 -0.42 0.00 -0.01 0.00 0.00 57.00 54.74 1jwu n GLN 92 Cb 0.43 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 30.21 1jwu n GLN 92 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1jwu s ARG 93 N -1.28 4.42 -0.08 -1.09 3.52 -0.51 -4.91 118.95 119.02 1jwu s ARG 93 Ca 0.38 1.89 -0.03 0.00 -0.13 0.00 0.00 55.73 57.83 1jwu s ARG 93 Cb 0.20 -3.28 0.05 0.00 -1.56 0.00 0.00 34.95 30.35 1jwu s ARG 93 CO 0.26 -0.24 0.16 1.03 -0.81 0.00 0.00 175.30 175.71 1jwu s ARG 94 N 0.57 0.05 -0.12 5.12 0.52 -1.26 -3.95 118.95 119.87 1jwu s ARG 94 Ca 0.58 0.53 0.00 0.00 -0.52 0.00 0.00 55.73 56.32 1jwu s ARG 94 Cb -0.33 -0.24 0.02 0.00 0.52 0.00 0.00 34.95 34.92 1jwu s ARG 94 CO 0.32 -0.28 -0.10 0.08 0.02 0.00 0.00 175.30 175.35 1jwu s VAL 95 N 2.05 1.17 0.34 3.52 1.01 0.27 -4.97 120.40 123.79 1jwu s VAL 95 Ca 0.00 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 1jwu s VAL 95 Cb -0.12 -1.15 -0.11 0.00 0.00 0.00 0.00 36.38 35.01 1jwu s VAL 95 CO -0.06 0.39 1.41 -0.70 0.00 0.00 0.00 175.10 176.14 1jwu s GLU 96 N 1.55 4.23 0.44 2.72 2.12 -1.26 -2.01 118.70 126.49 1jwu s GLU 96 Ca 0.03 2.39 -0.22 0.00 0.36 0.00 0.00 54.97 57.53 1jwu s GLU 96 Cb -0.13 -3.03 -0.09 0.00 0.26 0.00 0.00 34.13 31.14 1jwu s GLU 96 CO -0.08 -0.37 1.03 -1.25 -0.54 0.00 0.00 175.26 174.06 1jwu s PRO 97 N -1.74 3.99 -0.23 4.30 0.04 -1.26 -4.50 135.00 135.60 1jwu s PRO 97 Ca 0.52 1.40 -0.15 0.00 0.04 0.00 0.00 61.00 62.80 1jwu s PRO 97 Cb -0.43 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.78 1jwu s PRO 97 CO 0.56 -0.27 0.39 0.21 0.04 0.00 0.00 177.00 177.93 1jwu s LYS 98 N -2.92 4.12 -0.07 4.56 2.20 -0.12 -4.92 119.74 122.58 1jwu s LYS 98 Ca 0.63 0.14 0.05 0.00 -0.36 0.00 0.00 55.97 56.43 1jwu s LYS 98 Cb -0.18 -3.58 -0.01 0.00 -1.51 0.00 0.00 37.83 32.56 1jwu s LYS 98 CO 0.22 -0.12 -0.24 0.08 -0.36 0.00 0.00 175.35 174.93 1jwu s VAL 99 N 1.58 2.11 -0.00 4.02 1.01 -1.26 -1.46 120.40 126.40 1jwu s VAL 99 Ca 0.17 -1.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 1jwu s VAL 99 Cb -0.15 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1jwu s VAL 99 CO 0.08 0.57 0.14 0.28 0.00 0.00 0.00 175.10 176.17 1jwu s THR 100 N 0.02 0.08 -0.09 3.92 -1.32 -0.75 -5.02 115.64 112.48 1jwu s THR 100 Ca -0.09 -0.66 0.03 0.00 -1.21 0.00 0.00 61.69 59.76 1jwu s THR 100 Cb -0.15 -0.42 0.01 0.00 -1.51 0.00 0.00 72.50 70.42 1jwu s THR 100 CO 0.06 -0.36 -0.17 -0.69 -2.21 0.00 0.00 174.62 171.25 1jwu s VAL 101 N -1.32 1.51 0.05 5.08 1.01 -1.26 -0.99 120.40 124.49 1jwu s VAL 101 Ca -0.14 -0.69 -0.22 0.00 0.00 0.00 0.00 61.98 60.93 1jwu s VAL 101 Cb -0.07 -1.35 0.05 0.00 0.00 0.00 0.00 36.38 35.01 1jwu s VAL 101 CO 0.02 0.44 0.51 -0.72 0.00 0.00 0.00 175.10 175.34 1jwu s TYR 102 N 0.63 -0.40 0.33 5.22 1.13 -0.79 -5.00 117.35 118.47 1jwu s TYR 102 Ca -0.14 0.41 -0.27 0.00 -1.41 0.00 0.00 57.07 55.66 1jwu s TYR 102 Cb -0.16 0.34 -0.09 0.00 -1.10 0.00 0.00 41.96 40.94 1jwu s TYR 102 CO 0.04 -0.65 1.09 -1.25 -2.51 0.00 0.00 175.55 172.27 1jwu s PRO 103 N -2.57 4.42 0.74 -3.49 0.04 -1.26 -0.65 135.00 132.23 1jwu s PRO 103 Ca -0.05 1.71 -0.13 0.00 0.04 0.00 0.00 61.00 62.57 1jwu s PRO 103 Cb -0.01 -2.92 0.04 0.00 0.04 0.00 0.00 34.50 31.66 1jwu s PRO 103 CO -0.03 0.04 1.12 -1.54 0.04 0.00 0.00 177.00 176.63 1jwu s SER 104 N -1.14 4.55 -0.99 6.66 1.04 -0.33 -4.85 113.70 118.64 1jwu s SER 104 Ca 0.50 1.98 -0.06 0.00 0.48 0.00 0.00 55.95 58.86 1jwu s SER 104 Cb -0.28 -2.54 0.05 0.00 0.10 0.00 0.00 66.02 63.34 1jwu s SER 104 CO 0.36 -2.01 2.67 0.29 0.98 0.00 0.00 173.24 175.53 1jwu n LYS 105 N -3.07 3.64 0.00 4.02 5.02 -1.26 -4.55 118.16 121.96 1jwu n LYS 105 Ca 0.10 -2.79 0.00 0.00 -2.02 0.00 0.00 58.31 53.60 1jwu n LYS 105 Cb 0.52 -2.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 1jwu n LYS 105 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1jwu n THR 106 N 1.74 0.00 -2.54 -0.18 -1.04 -1.26 -5.25 114.28 105.75 1jwu n THR 106 Ca 0.59 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.60 1jwu n THR 106 Cb 0.39 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 1jwu n THR 106 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jwu n GLN 107 N 0.00 0.00 0.00 -2.82 3.00 -1.26 -5.04 117.38 111.26 1jwu n GLN 107 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1jwu n GLN 107 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1jwu n GLN 107 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1jwu n HIS 111 N 0.00 0.00 -4.32 1.08 -0.00 -1.26 -5.06 115.22 105.66 1jwu n HIS 111 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.49 1jwu n HIS 111 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 29.87 1jwu n HIS 111 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1jwu s HIS 112 N 0.00 1.83 -0.18 1.57 4.02 -1.26 -4.78 115.29 116.49 1jwu s HIS 112 Ca 0.00 -0.44 0.01 0.00 1.02 0.00 0.00 55.06 55.65 1jwu s HIS 112 Cb 0.00 -0.95 0.02 0.00 -1.02 0.00 0.00 32.58 30.63 1jwu s HIS 112 CO 0.00 0.28 -0.20 1.21 1.02 0.00 0.00 174.74 177.05 1jwu s ASN 113 N -2.33 3.12 -0.35 1.40 3.04 0.14 -4.94 114.94 115.01 1jwu s ASN 113 Ca 0.12 -0.64 -0.22 0.00 0.04 0.00 0.00 52.86 52.16 1jwu s ASN 113 Cb -0.08 -1.47 0.00 0.00 -1.54 0.00 0.00 41.25 38.17 1jwu s ASN 113 CO 0.06 -0.00 0.70 -0.22 -3.04 0.00 0.00 177.10 174.60 1jwu s LEU 114 N 1.29 4.18 0.14 3.21 0.20 -1.26 -1.28 118.68 125.15 1jwu s LEU 114 Ca 0.05 0.30 -0.07 0.00 0.69 0.00 0.00 54.13 55.10 1jwu s LEU 114 Cb -0.13 -2.90 -0.06 0.00 -0.43 0.00 0.00 46.19 42.67 1jwu s LEU 114 CO -0.13 -0.64 0.40 -0.76 -0.29 0.00 0.00 176.35 174.94 1jwu s LEU 115 N 2.87 4.27 -0.08 -0.68 1.43 -0.82 -1.19 118.68 124.48 1jwu s LEU 115 Ca 0.28 0.68 0.03 0.00 -1.03 0.00 0.00 54.13 54.09 1jwu s LEU 115 Cb -0.14 -3.27 0.01 0.00 0.03 0.00 0.00 46.19 42.82 1jwu s LEU 115 CO 0.15 0.07 -0.17 -0.69 0.23 0.00 0.00 176.35 175.94 1jwu s VAL 116 N -1.61 1.55 -0.40 -1.59 1.01 0.18 -1.37 120.40 118.17 1jwu s VAL 116 Ca 0.40 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 1jwu s VAL 116 Cb -0.12 -1.37 0.10 0.00 0.00 0.00 0.00 36.38 34.98 1jwu s VAL 116 CO 0.22 0.45 0.19 0.00 0.00 0.00 0.00 175.10 175.96 1jwu s SER 118 N 1.82 6.85 -0.25 0.00 0.15 -0.16 -2.01 113.70 120.10 1jwu s SER 118 Ca 0.06 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.74 1jwu s SER 118 Cb -0.23 -2.37 0.07 0.00 -1.71 0.00 0.00 66.02 61.78 1jwu s SER 118 CO -0.03 -0.16 -0.00 -0.69 1.20 0.00 0.00 173.24 173.56 1jwu s VAL 119 N 1.15 1.34 0.34 4.45 1.01 -0.24 -1.81 120.40 126.65 1jwu s VAL 119 Ca 0.33 -1.26 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1jwu s VAL 119 Cb -0.17 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 1jwu s VAL 119 CO 0.14 -0.27 0.09 -0.94 0.00 0.00 0.00 175.10 174.12 1jwu s SER 120 N 1.45 2.27 -1.66 3.32 1.04 -0.54 -0.54 113.70 119.05 1jwu s SER 120 Ca -0.01 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 54.95 1jwu s SER 120 Cb -0.18 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1jwu s SER 120 CO -0.10 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1jwu n GLY 121 N -0.71 0.61 3.97 7.32 0.00 -0.51 -0.95 105.19 114.92 1jwu n GLY 121 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1jwu n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1jwu s PHE 122 N -2.66 3.45 -0.22 1.61 -0.71 -0.95 -4.70 117.98 113.81 1jwu s PHE 122 Ca 0.00 0.01 -0.19 0.00 -1.04 0.00 0.00 56.93 55.71 1jwu s PHE 122 Cb 0.00 -1.59 0.06 0.00 -1.21 0.00 0.00 43.02 40.28 1jwu s PHE 122 CO 0.00 0.43 0.58 -0.47 -1.34 0.00 0.00 175.22 174.43 1jwu s TYR 123 N -1.97 -0.70 0.74 3.49 6.14 -0.85 -0.91 117.35 123.28 1jwu s TYR 123 Ca 0.34 1.62 -0.12 0.00 0.64 0.00 0.00 57.07 59.55 1jwu s TYR 123 Cb -0.09 0.28 0.19 0.00 0.42 0.00 0.00 41.96 42.75 1jwu s TYR 123 CO 0.29 -0.34 0.58 -2.30 0.64 0.00 0.00 175.55 174.42 1jwu n PRO 124 N 3.12 -2.66 0.09 4.97 -0.02 -1.25 -0.56 135.00 138.69 1jwu n PRO 124 Ca -0.15 -0.94 -0.00 0.00 -2.02 0.00 0.00 63.50 60.39 1jwu n PRO 124 Cb 0.56 -0.97 -0.03 0.00 -0.02 0.00 0.00 33.50 33.04 1jwu n PRO 124 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1jwu h GLY 125 N -1.98 0.00 -4.94 -1.23 0.00 -1.98 -3.45 103.07 89.49 1jwu h GLY 125 Ca -0.23 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.57 1jwu h GLY 125 CO 0.15 0.00 1.04 -1.35 0.00 0.00 0.00 176.54 176.37 1jwu s SER 126 N -6.34 6.53 0.12 0.19 1.04 -1.26 -4.94 113.70 109.04 1jwu s SER 126 Ca 0.02 2.60 -0.20 0.00 0.48 0.00 0.00 55.95 58.85 1jwu s SER 126 Cb 0.08 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.69 1jwu s SER 126 CO 0.78 -0.93 0.50 -0.51 0.98 0.00 0.00 173.24 174.06 1jwu s ILE 127 N 2.59 0.04 -0.05 -1.02 2.07 -1.26 -4.64 121.20 118.93 1jwu s ILE 127 Ca 0.76 -0.29 -0.01 0.00 -1.41 0.00 0.00 60.65 59.69 1jwu s ILE 127 Cb -0.42 -1.06 0.03 0.00 0.13 0.00 0.00 42.46 41.13 1jwu s ILE 127 CO 0.34 -0.16 0.04 -0.70 -1.91 0.00 0.00 174.94 172.54 1jwu s GLU 128 N -3.46 0.16 -0.08 3.50 2.12 -0.74 -5.00 118.70 115.20 1jwu s GLU 128 Ca 0.00 0.26 0.02 0.00 0.36 0.00 0.00 54.97 55.62 1jwu s GLU 128 Cb 0.00 -0.63 0.02 0.00 0.26 0.00 0.00 34.13 33.78 1jwu s GLU 128 CO -0.10 -0.30 -0.12 0.14 -0.54 0.00 0.00 175.26 174.35 1jwu s VAL 129 N 1.96 1.15 0.14 3.70 -7.23 -1.25 -0.04 120.40 118.83 1jwu s VAL 129 Ca 0.03 -0.46 0.05 0.00 -1.81 0.00 0.00 61.98 59.78 1jwu s VAL 129 Cb -0.12 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 1jwu s VAL 129 CO -0.04 0.37 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.88 1jwu s ARG 130 N 0.87 1.03 -0.03 4.82 0.52 -0.03 -4.95 118.95 121.19 1jwu s ARG 130 Ca -0.11 -1.38 0.01 0.00 -0.52 0.00 0.00 55.73 53.73 1jwu s ARG 130 Cb -0.15 -0.67 -0.03 0.00 0.52 0.00 0.00 34.95 34.62 1jwu s ARG 130 CO 0.01 0.09 -0.02 -1.58 0.02 0.00 0.00 175.30 173.83 1jwu s TRP 131 N -3.00 3.05 -0.05 -0.53 0.52 -1.26 0.03 118.94 117.71 1jwu s TRP 131 Ca 0.14 0.08 0.01 0.00 0.02 0.00 0.00 56.10 56.35 1jwu s TRP 131 Cb 0.00 -1.69 0.02 0.00 -1.15 0.00 0.00 33.47 30.65 1jwu s TRP 131 CO 0.01 0.44 -0.05 -0.06 0.02 0.00 0.00 176.95 177.31 1jwu s PHE 132 N -1.00 0.77 -0.36 -1.98 0.40 0.56 -0.50 117.98 115.87 1jwu s PHE 132 Ca 0.17 -0.22 -0.09 0.00 -0.60 0.00 0.00 56.93 56.19 1jwu s PHE 132 Cb -0.11 -0.68 0.03 0.00 0.51 0.00 0.00 43.02 42.77 1jwu s PHE 132 CO 0.07 -0.20 0.17 0.50 0.70 0.00 0.00 175.22 176.46 1jwu s ARG 133 N 0.92 2.78 -1.21 0.44 3.52 -0.92 0.03 118.95 124.51 1jwu s ARG 133 Ca -0.11 -1.10 -0.06 0.00 -0.13 0.00 0.00 55.73 54.33 1jwu s ARG 133 Cb -0.14 -3.62 0.01 0.00 -1.56 0.00 0.00 34.95 29.63 1jwu s ARG 133 CO 0.00 -0.67 1.04 0.09 -0.81 0.00 0.00 175.30 174.95 1jwu n ASN 134 N 4.93 -4.89 0.00 -2.12 3.02 -0.72 -2.90 115.26 112.57 1jwu n ASN 134 Ca -0.12 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 1jwu n ASN 134 Cb 0.46 -4.70 0.00 0.00 -0.61 0.00 0.00 39.78 34.92 1jwu n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jwu n GLY 135 N -1.67 0.48 2.87 7.41 0.00 -1.26 -5.03 105.19 107.99 1jwu n GLY 135 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 1jwu n GLY 135 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jwu s GLN 136 N -0.10 1.09 0.09 1.61 -2.07 -1.14 -5.06 119.66 114.08 1jwu s GLN 136 Ca 0.00 -0.12 -0.24 0.00 -1.82 0.00 0.00 55.36 53.18 1jwu s GLN 136 Cb 0.00 -1.19 -0.13 0.00 -1.09 0.00 0.00 33.01 30.59 1jwu s GLN 136 CO 0.00 -0.20 0.53 -1.91 -1.32 0.00 0.00 175.29 172.39 1jwu n GLU 137 N 4.67 0.00 -3.64 9.60 4.07 -1.26 -2.17 120.64 131.91 1jwu n GLU 137 Ca -0.15 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.56 1jwu n GLU 137 Cb 0.50 -0.87 -0.11 0.00 -0.06 0.00 0.00 31.44 30.90 1jwu n GLU 137 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1jwu s GLU 138 N -0.47 3.17 -0.18 5.31 0.41 0.34 -4.79 118.70 122.49 1jwu s GLU 138 Ca 0.54 -0.84 -0.22 0.00 -0.41 0.00 0.00 54.97 54.05 1jwu s GLU 138 Cb -0.77 -3.62 -0.19 0.00 -1.78 0.00 0.00 34.13 27.77 1jwu s GLU 138 CO 0.41 -0.51 0.33 0.87 -0.49 0.00 0.00 175.26 175.88 1jwu h LYS 139 N 8.38 0.00 -7.35 1.61 1.79 -1.92 -3.43 116.57 115.65 1jwu h LYS 139 Ca -0.30 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 57.70 1jwu h LYS 139 Cb 1.13 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 31.86 1jwu h LYS 139 CO 0.63 0.86 0.30 0.00 -1.08 0.00 0.00 179.45 180.16 1jwu s ALA 140 N -2.36 3.03 0.00 3.86 0.00 -1.26 -4.20 121.76 120.83 1jwu s ALA 140 Ca -0.23 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1jwu s ALA 140 Cb 0.03 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.36 1jwu s ALA 140 CO 0.56 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1jwu n GLY 141 N -2.92 2.20 3.77 0.00 0.00 -1.26 -4.91 105.19 102.06 1jwu n GLY 141 Ca 0.07 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1jwu n GLY 141 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jwu s VAL 142 N -0.01 2.08 -0.12 1.61 -7.23 -1.26 -3.68 120.40 111.78 1jwu s VAL 142 Ca 0.00 0.07 -0.05 0.00 -1.81 0.00 0.00 61.98 60.19 1jwu s VAL 142 Cb 0.00 -3.05 0.06 0.00 0.56 0.00 0.00 36.38 33.95 1jwu s VAL 142 CO 0.00 0.02 0.27 -0.69 -0.31 0.00 0.00 175.10 174.38 1jwu s VAL 143 N -0.64 -0.22 0.15 1.32 1.01 -0.86 -4.99 120.40 116.16 1jwu s VAL 143 Ca 0.57 0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.82 1jwu s VAL 143 Cb -0.47 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1jwu s VAL 143 CO 0.56 0.09 0.05 -0.55 0.00 0.00 0.00 175.10 175.25 1jwu s SER 144 N 1.82 5.09 0.01 3.32 0.15 -1.26 -0.04 113.70 122.79 1jwu s SER 144 Ca -0.04 -0.25 0.25 0.00 0.70 0.00 0.00 55.95 56.61 1jwu s SER 144 Cb -0.11 -1.21 0.59 0.00 -1.71 0.00 0.00 66.02 63.58 1jwu s SER 144 CO -0.09 0.10 1.48 1.07 1.20 0.00 0.00 173.24 177.00 1jwu n THR 145 N -0.02 0.02 0.00 6.45 5.66 -0.56 -5.01 114.28 120.83 1jwu n THR 145 Ca -0.09 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1jwu n THR 145 Cb 0.54 0.12 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 1jwu n THR 145 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1jwu n GLY 146 N 1.49 -0.24 3.68 1.09 0.00 -1.26 -4.89 105.19 105.06 1jwu n GLY 146 Ca 0.06 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 1jwu n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jwu s LEU 147 N -2.38 4.25 -0.22 0.99 2.96 -1.26 -4.52 118.68 118.49 1jwu s LEU 147 Ca 0.00 1.66 -0.05 0.00 -0.22 0.00 0.00 54.13 55.52 1jwu s LEU 147 Cb 0.00 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 1jwu s LEU 147 CO 0.00 -0.54 -0.01 -0.63 -1.32 0.00 0.00 176.35 173.85 1jwu s ILE 148 N 2.23 3.67 -0.33 6.68 -1.09 -0.22 -4.99 121.20 127.15 1jwu s ILE 148 Ca 0.52 -0.39 -0.18 0.00 -2.23 0.00 0.00 60.65 58.36 1jwu s ILE 148 Cb -0.21 -2.68 -0.01 0.00 -1.58 0.00 0.00 42.46 37.98 1jwu s ILE 148 CO 0.19 0.41 0.51 -1.58 -1.23 0.00 0.00 174.94 173.24 1jwu s GLN 149 N 1.40 3.72 0.07 2.79 0.74 -1.26 -1.49 119.66 125.63 1jwu s GLN 149 Ca 0.05 -0.06 0.25 0.00 0.05 0.00 0.00 55.36 55.64 1jwu s GLN 149 Cb -0.14 -3.77 0.99 0.00 1.10 0.00 0.00 33.01 31.18 1jwu s GLN 149 CO -0.01 -0.58 1.77 0.09 -0.55 0.00 0.00 175.29 176.02 1jwu n ASN 150 N 5.70 0.24 0.00 6.67 3.02 0.12 -4.91 115.26 126.10 1jwu n ASN 150 Ca -0.05 0.53 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 1jwu n ASN 150 Cb 0.49 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1jwu n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jwu n GLY 151 N 0.97 1.08 1.41 7.41 0.00 -1.26 -4.90 105.19 109.90 1jwu n GLY 151 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 1jwu n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jwu n ASP 152 N 0.00 3.06 -2.57 1.61 5.75 -1.26 -4.91 116.55 118.23 1jwu n ASP 152 Ca 0.00 -3.61 -0.18 0.00 -0.01 0.00 0.00 54.79 50.99 1jwu n ASP 152 Cb 0.00 -0.43 0.04 0.00 -1.03 0.00 0.00 41.12 39.70 1jwu n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1jwu n TRP 153 N -0.81 -1.78 -3.90 2.11 7.02 -1.26 -5.00 117.44 113.81 1jwu n TRP 153 Ca 0.28 0.54 -0.11 0.00 -1.02 0.00 0.00 57.50 57.20 1jwu n TRP 153 Cb 0.85 -3.87 -0.11 0.00 -2.42 0.00 0.00 31.31 25.75 1jwu n TRP 153 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1jwu s THR 154 N -3.11 0.06 0.19 -0.99 2.01 -1.26 -4.65 115.64 107.89 1jwu s THR 154 Ca 0.31 -0.53 0.06 0.00 0.31 0.00 0.00 61.69 61.85 1jwu s THR 154 Cb -0.14 -0.27 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 1jwu s THR 154 CO 0.39 -0.29 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.54 1jwu s PHE 155 N -0.93 1.55 0.07 4.92 0.40 -0.09 -0.70 117.98 123.19 1jwu s PHE 155 Ca -0.10 -0.65 -0.14 0.00 -0.60 0.00 0.00 56.93 55.44 1jwu s PHE 155 Cb -0.06 -0.75 0.02 0.00 0.51 0.00 0.00 43.02 42.74 1jwu s PHE 155 CO 0.00 0.25 0.31 1.14 0.70 0.00 0.00 175.22 177.62 1jwu s GLN 156 N -3.69 0.87 -0.07 0.44 -2.07 -0.55 -1.42 119.66 113.16 1jwu s GLN 156 Ca 0.21 -0.61 -0.30 0.00 -1.82 0.00 0.00 55.36 52.84 1jwu s GLN 156 Cb 0.01 0.37 0.09 0.00 -1.09 0.00 0.00 33.01 32.39 1jwu s GLN 156 CO 0.05 -0.29 0.80 -0.08 -1.32 0.00 0.00 175.29 174.44 1jwu s THR 157 N -2.98 0.00 -0.11 3.63 -1.32 0.30 -1.05 115.64 114.11 1jwu s THR 157 Ca -0.02 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.49 1jwu s THR 157 Cb 0.01 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.01 1jwu s THR 157 CO -0.06 0.00 -0.19 -0.76 -2.21 0.00 0.00 174.62 171.40 1jwu s LEU 158 N -1.32 1.89 -0.23 9.08 1.43 -1.26 -1.07 118.68 127.19 1jwu s LEU 158 Ca -0.06 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 1jwu s LEU 158 Cb -0.00 -1.21 0.05 0.00 0.03 0.00 0.00 46.19 45.06 1jwu s LEU 158 CO 0.05 0.07 -0.11 -0.69 0.23 0.00 0.00 176.35 175.90 1jwu s VAL 159 N 0.72 1.92 0.51 -1.59 1.01 -0.85 -1.50 120.40 120.62 1jwu s VAL 159 Ca -0.11 -1.34 -0.04 0.00 0.00 0.00 0.00 61.98 60.49 1jwu s VAL 159 Cb -0.16 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 1jwu s VAL 159 CO 0.02 0.06 0.79 -0.04 0.00 0.00 0.00 175.10 175.93 1jwu s MET 160 N 1.24 3.16 -0.28 2.72 -1.94 0.94 -1.90 119.30 123.24 1jwu s MET 160 Ca -0.05 -0.09 0.00 0.00 -1.71 0.00 0.00 55.69 53.84 1jwu s MET 160 Cb -0.18 -2.40 0.15 0.00 2.01 0.00 0.00 34.83 34.41 1jwu s MET 160 CO -0.07 -0.41 0.37 -1.17 -0.01 0.00 0.00 175.02 173.73 1jwu s LEU 161 N -4.77 -0.59 0.21 -0.03 2.96 -0.47 -2.03 118.68 113.96 1jwu s LEU 161 Ca 0.50 -0.40 -0.30 0.00 -0.22 0.00 0.00 54.13 53.71 1jwu s LEU 161 Cb -0.10 0.91 -0.09 0.00 0.50 0.00 0.00 46.19 47.41 1jwu s LEU 161 CO 0.43 -0.36 1.29 -0.70 -1.32 0.00 0.00 176.35 175.69 1jwu s GLU 162 N 2.49 4.40 0.06 1.98 2.56 -1.24 -1.94 118.70 127.01 1jwu s GLU 162 Ca 0.10 2.04 -0.07 0.00 0.00 0.00 0.00 54.97 57.04 1jwu s GLU 162 Cb -0.13 -3.19 -0.01 0.00 2.00 0.00 0.00 34.13 32.80 1jwu s GLU 162 CO -0.29 -0.22 0.13 0.95 -0.56 0.00 0.00 175.26 175.28 1jwu s THR 163 N -0.03 0.15 -0.66 -1.70 -4.23 -0.41 -4.87 115.64 103.90 1jwu s THR 163 Ca 0.55 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 1jwu s THR 163 Cb -0.36 -1.22 0.16 0.00 1.34 0.00 0.00 72.50 72.42 1jwu s THR 163 CO 0.39 -0.68 0.46 -0.69 -0.54 0.00 0.00 174.62 173.56 1jwu s VAL 164 N -3.44 3.40 0.35 2.29 1.01 -1.26 0.24 120.40 122.99 1jwu s VAL 164 Ca 0.02 -3.43 -0.28 0.00 0.00 0.00 0.00 61.98 58.29 1jwu s VAL 164 Cb 0.03 -3.23 -0.11 0.00 0.00 0.00 0.00 36.38 33.08 1jwu s VAL 164 CO -0.09 -0.91 1.38 -2.16 0.00 0.00 0.00 175.10 173.32 1jwu s PRO 165 N -0.57 4.26 -0.05 2.72 0.04 -1.26 -5.04 135.00 135.10 1jwu s PRO 165 Ca 0.20 2.35 0.03 0.00 0.04 0.00 0.00 61.00 63.62 1jwu s PRO 165 Cb -0.17 -3.03 0.01 0.00 0.04 0.00 0.00 34.50 31.34 1jwu s PRO 165 CO -0.06 -0.32 -0.12 1.03 0.04 0.00 0.00 177.00 177.57 1jwu s ARG 166 N -1.89 1.47 -0.15 4.56 0.52 -1.26 -5.09 118.95 117.11 1jwu s ARG 166 Ca 0.50 -0.41 -0.41 0.00 -0.52 0.00 0.00 55.73 54.89 1jwu s ARG 166 Cb -0.42 -1.27 -0.19 0.00 0.52 0.00 0.00 34.95 33.58 1jwu s ARG 166 CO 0.57 0.10 1.32 0.45 0.02 0.00 0.00 175.30 177.75 1jwu n SER 167 N 3.53 0.81 0.00 0.23 2.88 -1.26 -1.29 113.62 118.51 1jwu n SER 167 Ca -0.21 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1jwu n SER 167 Cb 0.53 -0.97 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 1jwu n SER 167 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jwu n GLY 168 N 2.61 3.32 3.76 0.46 0.00 -1.26 -5.04 105.19 109.04 1jwu n GLY 168 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 1jwu n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jwu s GLU 169 N -0.79 3.03 -0.30 1.61 2.02 -0.41 -4.81 118.70 119.06 1jwu s GLU 169 Ca 0.00 1.74 0.01 0.00 0.02 0.00 0.00 54.97 56.74 1jwu s GLU 169 Cb 0.00 -1.95 0.09 0.00 0.10 0.00 0.00 34.13 32.37 1jwu s GLU 169 CO 0.00 -1.14 0.04 0.08 0.02 0.00 0.00 175.26 174.26 1jwu s VAL 170 N -1.70 1.51 -0.35 2.63 1.01 -1.26 -1.05 120.40 121.19 1jwu s VAL 170 Ca 0.75 -1.64 -0.20 0.00 0.00 0.00 0.00 61.98 60.90 1jwu s VAL 170 Cb -0.28 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.08 1jwu s VAL 170 CO 0.32 -0.48 0.61 -0.31 0.00 0.00 0.00 175.10 175.25 1jwu s TYR 171 N 1.33 3.16 -0.14 5.22 2.02 -0.27 -1.76 117.35 126.91 1jwu s TYR 171 Ca 0.05 0.32 -0.03 0.00 -0.37 0.00 0.00 57.07 57.04 1jwu s TYR 171 Cb -0.18 -3.09 -0.03 0.00 -0.40 0.00 0.00 41.96 38.25 1jwu s TYR 171 CO -0.14 -0.61 -0.02 0.99 -1.57 0.00 0.00 175.55 174.21 1jwu s THR 172 N 2.65 4.08 -0.25 -0.71 2.01 0.10 -0.12 115.64 123.40 1jwu s THR 172 Ca 0.23 -0.30 -0.11 0.00 0.31 0.00 0.00 61.69 61.82 1jwu s THR 172 Cb -0.15 -2.77 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 1jwu s THR 172 CO 0.14 0.52 0.20 0.00 -0.69 0.00 0.00 174.62 174.79 1jwu s GLN 174 N 1.28 2.87 -0.10 0.00 0.74 0.10 -1.87 119.66 122.68 1jwu s GLN 174 Ca 0.09 -0.61 -0.01 0.00 0.05 0.00 0.00 55.36 54.88 1jwu s GLN 174 Cb -0.14 -2.56 0.03 0.00 1.10 0.00 0.00 33.01 31.43 1jwu s GLN 174 CO 0.06 0.54 -0.06 0.08 -0.55 0.00 0.00 175.29 175.36 1jwu s VAL 175 N -0.48 0.88 -0.14 1.34 1.01 0.27 -0.85 120.40 122.43 1jwu s VAL 175 Ca 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1jwu s VAL 175 Cb -0.12 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1jwu s VAL 175 CO 0.02 0.34 -0.04 -1.61 0.00 0.00 0.00 175.10 173.81 1jwu s GLU 176 N 1.72 3.55 -0.06 2.72 2.02 0.94 -1.04 118.70 128.56 1jwu s GLU 176 Ca 0.04 -0.53 -0.19 0.00 0.02 0.00 0.00 54.97 54.32 1jwu s GLU 176 Cb -0.13 -2.87 0.04 0.00 0.10 0.00 0.00 34.13 31.28 1jwu s GLU 176 CO -0.07 0.30 0.43 -1.58 0.02 0.00 0.00 175.26 174.35 1jwu s HIS 177 N 0.21 -0.36 0.64 1.61 2.46 -1.26 -1.79 115.29 116.79 1jwu s HIS 177 Ca -0.03 0.67 0.32 0.00 0.47 0.00 0.00 55.06 56.50 1jwu s HIS 177 Cb -0.14 0.19 1.79 0.00 -0.13 0.00 0.00 32.58 34.28 1jwu s HIS 177 CO 0.03 -0.41 2.06 -1.35 -2.47 0.00 0.00 174.74 172.60 1jwu h PRO 178 N 4.01 0.00 0.00 2.88 0.11 -1.93 -1.77 132.00 135.30 1jwu h PRO 178 Ca -0.28 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1jwu h PRO 178 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jwu h PRO 178 CO 0.36 0.00 -0.06 0.66 -0.21 0.00 0.00 178.00 178.74 1jwu h SER 179 N 0.00 0.00 -4.48 -2.05 4.64 -1.88 -3.43 113.55 106.34 1jwu h SER 179 Ca 0.05 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.97 1jwu h SER 179 Cb 0.54 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.41 1jwu h SER 179 CO -0.00 0.06 -0.78 0.68 -0.87 0.00 0.00 176.83 175.93 1jwu s VAL 180 N -3.91 1.04 -0.08 0.95 -7.23 -0.67 -4.86 120.40 105.63 1jwu s VAL 180 Ca -0.01 -1.22 -0.22 0.00 -1.81 0.00 0.00 61.98 58.71 1jwu s VAL 180 Cb 0.11 -1.00 -0.18 0.00 0.56 0.00 0.00 36.38 35.87 1jwu s VAL 180 CO 0.54 -0.21 0.81 0.71 -0.31 0.00 0.00 175.10 176.64 1jwu h THR 181 N 4.35 1.16 -3.00 5.32 1.35 -1.85 -3.42 112.91 116.84 1jwu h THR 181 Ca -0.40 -1.53 -0.58 0.00 -0.55 0.00 0.00 66.41 63.35 1jwu h THR 181 Cb 1.19 2.06 -0.03 0.00 -1.73 0.00 0.00 68.15 69.64 1jwu h THR 181 CO 0.41 0.34 -0.37 -0.94 -0.25 0.00 0.00 175.52 174.70 1jwu s SER 182 N -5.77 6.42 0.34 5.36 1.04 -1.26 -5.02 113.70 114.82 1jwu s SER 182 Ca -0.14 0.44 -0.29 0.00 0.48 0.00 0.00 55.95 56.44 1jwu s SER 182 Cb -0.01 -2.03 -0.10 0.00 0.10 0.00 0.00 66.02 63.98 1jwu s SER 182 CO 0.53 0.06 1.36 -2.16 0.98 0.00 0.00 173.24 174.01 1jwu s PRO 183 N -2.80 4.28 0.07 4.02 0.04 -1.26 -4.92 135.00 134.43 1jwu s PRO 183 Ca 0.39 2.32 -0.27 0.00 0.04 0.00 0.00 61.00 63.48 1jwu s PRO 183 Cb -0.12 -3.04 -0.06 0.00 0.04 0.00 0.00 34.50 31.32 1jwu s PRO 183 CO 0.27 -0.30 0.84 -0.51 0.04 0.00 0.00 177.00 177.34 1jwu s LEU 184 N -1.80 4.47 -0.05 -3.56 1.43 -0.21 -4.88 118.68 114.08 1jwu s LEU 184 Ca 0.50 1.58 0.03 0.00 -1.03 0.00 0.00 54.13 55.21 1jwu s LEU 184 Cb -0.42 -3.36 0.01 0.00 0.03 0.00 0.00 46.19 42.45 1jwu s LEU 184 CO 0.55 -0.01 -0.12 0.42 0.23 0.00 0.00 176.35 177.43 1jwu s THR 185 N -0.06 1.04 -0.11 5.49 -4.23 -1.26 -0.56 115.64 115.94 1jwu s THR 185 Ca 0.41 -0.46 0.01 0.00 -1.18 0.00 0.00 61.69 60.47 1jwu s THR 185 Cb -0.22 -0.93 0.02 0.00 1.34 0.00 0.00 72.50 72.71 1jwu s THR 185 CO 0.25 0.32 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.84 1jwu s VAL 186 N 0.43 1.33 0.00 2.29 1.01 -0.78 -4.98 120.40 119.69 1jwu s VAL 186 Ca -0.09 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 1jwu s VAL 186 Cb -0.13 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1jwu s VAL 186 CO 0.02 0.41 0.08 -1.61 0.00 0.00 0.00 175.10 174.00 1jwu s GLU 187 N 1.27 3.04 -0.19 2.72 2.02 -1.26 -1.19 118.70 125.11 1jwu s GLU 187 Ca -0.02 -0.50 -0.03 0.00 0.02 0.00 0.00 54.97 54.45 1jwu s GLU 187 Cb -0.14 -2.84 -0.01 0.00 0.10 0.00 0.00 34.13 31.24 1jwu s GLU 187 CO -0.05 0.64 -0.08 -0.46 0.02 0.00 0.00 175.26 175.34 1jwu s TRP 188 N -1.20 2.91 -0.40 1.61 -0.11 0.84 -4.99 118.94 117.60 1jwu s TRP 188 Ca 0.23 -0.84 -0.14 0.00 1.22 0.00 0.00 56.10 56.56 1jwu s TRP 188 Cb -0.12 -2.01 0.01 0.00 -1.50 0.00 0.00 33.47 29.85 1jwu s TRP 188 CO 0.14 -0.43 0.28 1.03 -4.62 0.00 0.00 176.95 173.36 1jwu s ARG 189 N 1.06 3.05 0.00 5.86 1.81 -1.26 -1.11 118.95 128.36 1jwu s ARG 189 Ca 0.00 -0.96 0.20 0.00 -1.72 0.00 0.00 55.73 53.25 1jwu s ARG 189 Cb -0.15 -3.93 1.18 0.00 -0.45 0.00 0.00 34.95 31.60 1jwu s ARG 189 CO -0.01 -0.69 1.57 0.00 -0.68 0.00 0.00 175.30 175.49