#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjh s ASP 2 N 0.00 6.23 -0.13 1.61 -1.08 -1.26 -4.83 116.67 117.21 1sjh s ASP 2 Ca 0.00 -1.19 0.19 0.00 -0.52 0.00 0.00 52.55 51.03 1sjh s ASP 2 Cb 0.00 -2.40 0.29 0.00 -1.46 0.00 0.00 42.92 39.35 1sjh s ASP 2 CO 0.00 -1.35 1.15 0.35 0.52 0.00 0.00 175.17 175.84 1sjh n THR 3 N 5.82 1.86 -2.12 1.71 -2.24 -1.26 -5.06 114.28 112.99 1sjh n THR 3 Ca -0.01 -2.24 -0.36 0.00 -2.27 0.00 0.00 64.05 59.16 1sjh n THR 3 Cb 0.45 -0.23 0.02 0.00 -2.10 0.00 0.00 70.33 68.47 1sjh n THR 3 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1sjh s ARG 4 N -2.84 3.25 0.49 -0.78 3.00 -1.26 -4.98 118.95 115.83 1sjh s ARG 4 Ca 0.32 1.78 -0.21 0.00 0.00 0.00 0.00 55.73 57.62 1sjh s ARG 4 Cb 0.28 -2.07 -0.07 0.00 0.00 0.00 0.00 34.95 33.09 1sjh s ARG 4 CO 0.03 -0.97 1.12 -1.25 0.00 0.00 0.00 175.30 174.23 1sjh s PRO 5 N -3.16 3.65 0.13 3.54 0.04 -1.26 -5.04 135.00 132.89 1sjh s PRO 5 Ca 0.73 1.63 0.04 0.00 0.04 0.00 0.00 61.00 63.45 1sjh s PRO 5 Cb -0.29 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 1sjh s PRO 5 CO 0.33 -0.61 0.10 1.03 0.04 0.00 0.00 177.00 177.89 1sjh s ARG 6 N -2.98 2.86 -0.08 4.56 1.81 -1.26 -5.11 118.95 118.75 1sjh s ARG 6 Ca 0.67 -0.81 -0.02 0.00 -1.72 0.00 0.00 55.73 53.85 1sjh s ARG 6 Cb -0.24 -2.66 0.04 0.00 -0.45 0.00 0.00 34.95 31.63 1sjh s ARG 6 CO 0.29 0.52 0.03 -0.06 -0.68 0.00 0.00 175.30 175.40 1sjh s PHE 7 N -1.59 0.46 0.03 -0.53 0.08 -1.26 -5.11 117.98 110.07 1sjh s PHE 7 Ca 0.30 -0.12 0.06 0.00 0.12 0.00 0.00 56.93 57.30 1sjh s PHE 7 Cb -0.11 -0.71 -0.03 0.00 -0.57 0.00 0.00 43.02 41.60 1sjh s PHE 7 CO 0.22 -0.33 -0.16 -1.17 -0.10 0.00 0.00 175.22 173.68 1sjh s LEU 8 N 2.04 2.68 -0.06 -0.37 2.96 -1.26 -5.08 118.68 119.59 1sjh s LEU 8 Ca 0.04 -0.38 -0.00 0.00 -0.22 0.00 0.00 54.13 53.56 1sjh s LEU 8 Cb -0.13 -1.56 0.03 0.00 0.50 0.00 0.00 46.19 45.03 1sjh s LEU 8 CO -0.05 0.26 -0.01 0.86 -1.32 0.00 0.00 176.35 176.09 1sjh s TRP 9 N -0.93 0.69 0.05 5.38 -0.11 -1.22 -3.27 118.94 119.53 1sjh s TRP 9 Ca 0.15 -0.18 0.08 0.00 1.22 0.00 0.00 56.10 57.37 1sjh s TRP 9 Cb -0.11 -0.74 -0.03 0.00 -1.50 0.00 0.00 33.47 31.09 1sjh s TRP 9 CO 0.05 -0.28 -0.22 -0.65 -4.62 0.00 0.00 176.95 171.23 1sjh s GLN 10 N 1.57 1.92 -0.08 5.86 -0.21 -0.35 -4.99 119.66 123.37 1sjh s GLN 10 Ca -0.01 -1.06 0.01 0.00 0.02 0.00 0.00 55.36 54.32 1sjh s GLN 10 Cb -0.13 -2.08 0.02 0.00 1.00 0.00 0.00 33.01 31.82 1sjh s GLN 10 CO -0.03 0.52 -0.09 -1.17 -2.12 0.00 0.00 175.29 172.40 1sjh s LEU 11 N -1.37 1.39 -0.03 2.90 2.96 -1.26 -1.53 118.68 121.73 1sjh s LEU 11 Ca 0.13 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1sjh s LEU 11 Cb -0.10 -0.74 0.01 0.00 0.50 0.00 0.00 46.19 45.85 1sjh s LEU 11 CO 0.04 -0.04 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.41 1sjh s LYS 12 N 1.12 0.97 -0.26 1.98 1.02 -0.28 -5.00 119.74 119.28 1sjh s LYS 12 Ca -0.07 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.68 1sjh s LYS 12 Cb -0.14 -0.91 0.05 0.00 -0.52 0.00 0.00 37.83 36.31 1sjh s LYS 12 CO -0.01 0.05 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.33 1sjh s PHE 13 N 0.44 3.19 -0.19 3.18 0.40 -1.26 -0.16 117.98 123.58 1sjh s PHE 13 Ca -0.07 -1.98 -0.06 0.00 -0.60 0.00 0.00 56.93 54.22 1sjh s PHE 13 Cb -0.11 -2.01 -0.03 0.00 0.51 0.00 0.00 43.02 41.38 1sjh s PHE 13 CO 0.01 -0.82 0.02 -1.21 0.70 0.00 0.00 175.22 173.92 1sjh s GLU 14 N 1.21 3.78 -0.32 0.44 2.02 0.38 -4.96 118.70 121.24 1sjh s GLU 14 Ca -0.05 -0.44 -0.05 0.00 0.02 0.00 0.00 54.97 54.44 1sjh s GLU 14 Cb -0.19 -3.12 0.04 0.00 0.10 0.00 0.00 34.13 30.95 1sjh s GLU 14 CO -0.04 0.15 0.07 0.00 0.02 0.00 0.00 175.26 175.46 1sjh s HIS 16 N 1.39 3.35 -0.11 0.00 3.76 0.05 -4.96 115.29 118.76 1sjh s HIS 16 Ca -0.02 0.35 0.01 0.00 -0.15 0.00 0.00 55.06 55.26 1sjh s HIS 16 Cb -0.19 -2.31 -0.01 0.00 1.11 0.00 0.00 32.58 31.17 1sjh s HIS 16 CO 0.02 0.09 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.78 1sjh s PHE 17 N 0.97 2.74 -0.09 1.40 0.08 -1.26 -1.38 117.98 120.45 1sjh s PHE 17 Ca 0.11 -0.67 0.03 0.00 0.12 0.00 0.00 56.93 56.52 1sjh s PHE 17 Cb -0.13 -1.79 0.00 0.00 -0.57 0.00 0.00 43.02 40.53 1sjh s PHE 17 CO 0.04 -0.21 -0.20 -0.06 -0.10 0.00 0.00 175.22 174.69 1sjh s PHE 18 N 0.23 2.14 -1.07 0.36 0.40 -0.20 -4.76 117.98 115.09 1sjh s PHE 18 Ca -0.10 -0.85 -0.11 0.00 -0.60 0.00 0.00 56.93 55.28 1sjh s PHE 18 Cb -0.16 -1.46 -0.05 0.00 0.51 0.00 0.00 43.02 41.86 1sjh s PHE 18 CO 0.06 -0.36 0.87 -1.71 0.70 0.00 0.00 175.22 174.78 1sjh n ASN 19 N 3.61 -6.27 0.00 1.36 2.85 -1.26 -2.19 115.26 113.35 1sjh n ASN 19 Ca -0.20 -0.79 0.00 0.00 -0.11 0.00 0.00 54.58 53.48 1sjh n ASN 19 Cb 0.53 -4.62 0.00 0.00 1.24 0.00 0.00 39.78 36.92 1sjh n ASN 19 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1sjh n GLY 20 N -1.39 1.79 0.09 8.20 0.00 -1.26 -1.99 105.19 110.63 1sjh n GLY 20 Ca -0.08 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 45.99 1sjh n GLY 20 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1sjh n THR 21 N 0.00 1.54 0.12 2.61 5.66 -1.26 -4.75 114.28 118.19 1sjh n THR 21 Ca 0.00 -1.81 -0.14 0.00 -3.05 0.00 0.00 64.05 59.05 1sjh n THR 21 Cb 0.00 -0.02 -0.08 0.00 -1.55 0.00 0.00 70.33 68.68 1sjh n THR 21 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1sjh h GLU 22 N 0.00 -0.23 -5.04 1.09 4.81 -1.37 -3.41 114.58 110.42 1sjh h GLU 22 Ca 0.00 0.02 -0.67 0.00 -0.13 0.00 0.00 59.36 58.58 1sjh h GLU 22 Cb 0.94 0.05 -0.34 0.00 0.63 0.00 0.00 28.75 30.04 1sjh h GLU 22 CO 0.00 -0.06 -0.83 0.50 -0.73 0.00 0.00 179.01 177.88 1sjh s ARG 23 N -5.68 3.04 -0.03 1.92 6.06 -0.93 -5.03 118.95 118.31 1sjh s ARG 23 Ca -0.14 -0.80 0.05 0.00 -2.50 0.00 0.00 55.73 52.33 1sjh s ARG 23 Cb 0.04 -2.66 -0.01 0.00 0.06 0.00 0.00 34.95 32.39 1sjh s ARG 23 CO 0.64 -0.22 -0.17 0.08 -2.50 0.00 0.00 175.30 173.13 1sjh s VAL 24 N 1.32 1.40 -0.07 7.11 1.01 -1.26 -1.04 120.40 128.87 1sjh s VAL 24 Ca 0.05 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1sjh s VAL 24 Cb -0.13 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.08 1sjh s VAL 24 CO -0.11 0.40 -0.08 -0.60 0.00 0.00 0.00 175.10 174.71 1sjh s ARG 25 N -0.16 1.29 -0.18 2.72 3.52 -0.48 -4.99 118.95 120.67 1sjh s ARG 25 Ca 0.01 -0.23 -0.08 0.00 -0.13 0.00 0.00 55.73 55.30 1sjh s ARG 25 Cb -0.09 -1.23 -0.04 0.00 -1.56 0.00 0.00 34.95 32.02 1sjh s ARG 25 CO 0.01 -0.11 0.09 -1.17 -0.81 0.00 0.00 175.30 173.31 1sjh s LEU 26 N 1.11 4.01 -0.25 -0.88 2.96 -1.26 -0.77 118.68 123.59 1sjh s LEU 26 Ca -0.07 0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1sjh s LEU 26 Cb -0.14 -2.02 0.07 0.00 0.50 0.00 0.00 46.19 44.60 1sjh s LEU 26 CO -0.01 0.20 0.01 -0.22 -1.32 0.00 0.00 176.35 175.01 1sjh s LEU 27 N 0.21 2.44 -0.19 -0.68 2.96 0.05 -0.52 118.68 122.95 1sjh s LEU 27 Ca 0.06 -1.30 -0.14 0.00 -0.22 0.00 0.00 54.13 52.53 1sjh s LEU 27 Cb -0.12 -1.04 -0.05 0.00 0.50 0.00 0.00 46.19 45.49 1sjh s LEU 27 CO -0.00 -0.30 0.29 -0.70 -1.32 0.00 0.00 176.35 174.31 1sjh s GLU 28 N 1.49 4.20 -0.00 1.98 2.12 0.64 -0.47 118.70 128.65 1sjh s GLU 28 Ca 0.00 0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.37 1sjh s GLU 28 Cb -0.18 -3.47 0.01 0.00 0.26 0.00 0.00 34.13 30.74 1sjh s GLU 28 CO -0.11 0.14 0.00 -0.98 -0.54 0.00 0.00 175.26 173.77 1sjh s ARG 29 N 0.78 0.02 -0.13 4.30 1.70 0.78 -0.20 118.95 126.20 1sjh s ARG 29 Ca 0.15 0.03 -0.03 0.00 -0.47 0.00 0.00 55.73 55.41 1sjh s ARG 29 Cb -0.13 -0.08 -0.03 0.00 -0.57 0.00 0.00 34.95 34.14 1sjh s ARG 29 CO 0.05 -0.03 -0.01 0.00 -1.08 0.00 0.00 175.30 174.22 1sjh s ILE 31 N -0.11 0.89 0.00 0.00 1.09 -0.58 -1.28 121.20 121.20 1sjh s ILE 31 Ca 0.04 -0.26 0.00 0.00 -1.10 0.00 0.00 60.65 59.33 1sjh s ILE 31 Cb -0.13 -0.97 0.00 0.00 -1.06 0.00 0.00 42.46 40.30 1sjh s ILE 31 CO 0.02 0.30 0.00 0.00 -0.10 0.00 0.00 174.94 175.16 1sjh n TYR 32 N 4.98 0.00 0.00 3.97 9.36 0.40 -1.22 117.16 134.66 1sjh n TYR 32 Ca -0.11 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.11 1sjh n TYR 32 Cb 0.50 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 1sjh n TYR 32 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1sjh n ASN 33 N 0.00 0.00 0.00 2.98 3.02 -1.20 -3.45 115.26 116.61 1sjh n ASN 33 Ca 0.00 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1sjh n ASN 33 Cb 0.00 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 1sjh n ASN 33 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1sjh n GLN 34 N -1.22 2.47 -3.74 3.52 7.27 -1.26 -4.88 117.38 119.55 1sjh n GLN 34 Ca 0.00 -1.33 -0.37 0.00 0.07 0.00 0.00 57.00 55.37 1sjh n GLN 34 Cb 0.00 -0.93 -0.12 0.00 2.41 0.00 0.00 30.24 31.60 1sjh n GLN 34 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1sjh s GLU 35 N -0.83 3.22 -0.10 3.69 2.12 -1.26 -5.07 118.70 120.47 1sjh s GLU 35 Ca 0.00 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.26 1sjh s GLU 35 Cb 0.00 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 1sjh s GLU 35 CO 0.00 -0.40 1.39 -2.00 -0.54 0.00 0.00 175.26 173.71 1sjh s GLU 36 N 1.54 4.23 -0.22 4.30 2.12 -1.26 -0.45 118.70 128.96 1sjh s GLU 36 Ca 0.04 1.86 0.13 0.00 0.36 0.00 0.00 54.97 57.36 1sjh s GLU 36 Cb -0.17 -3.79 -0.22 0.00 0.26 0.00 0.00 34.13 30.21 1sjh s GLU 36 CO 0.03 -0.71 -0.02 -1.13 -0.54 0.00 0.00 175.26 172.89 1sjh n SER 37 N 6.47 0.62 -3.65 -1.70 3.41 -0.41 -4.27 113.62 114.09 1sjh n SER 37 Ca 0.15 -0.04 -0.13 0.00 -0.26 0.00 0.00 58.87 58.59 1sjh n SER 37 Cb 0.44 0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 64.91 1sjh n SER 37 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1sjh s VAL 38 N -2.49 0.05 0.11 -3.33 0.11 -1.23 0.10 120.40 113.72 1sjh s VAL 38 Ca -0.17 -0.42 -0.19 0.00 -2.93 0.00 0.00 61.98 58.27 1sjh s VAL 38 Cb 0.07 -0.95 0.05 0.00 -1.53 0.00 0.00 36.38 34.02 1sjh s VAL 38 CO 0.76 -0.23 0.47 0.00 -3.33 0.00 0.00 175.10 172.76 1sjh s ARG 39 N -2.44 1.10 -0.22 1.54 1.70 -0.87 -1.30 118.95 118.46 1sjh s ARG 39 Ca -0.05 -0.55 0.02 0.00 -0.47 0.00 0.00 55.73 54.67 1sjh s ARG 39 Cb -0.01 0.49 0.04 0.00 -0.57 0.00 0.00 34.95 34.91 1sjh s ARG 39 CO -0.02 -0.44 -0.12 0.12 -1.08 0.00 0.00 175.30 173.76 1sjh s PHE 40 N -3.48 2.75 -0.25 5.89 2.19 0.73 -1.18 117.98 124.63 1sjh s PHE 40 Ca 0.01 -1.84 -0.08 0.00 0.33 0.00 0.00 56.93 55.35 1sjh s PHE 40 Cb 0.01 -1.78 -0.03 0.00 -1.31 0.00 0.00 43.02 39.90 1sjh s PHE 40 CO -0.10 -0.80 0.08 0.34 1.83 0.00 0.00 175.22 176.57 1sjh s ASP 41 N 1.28 5.26 0.65 6.13 -1.08 -1.26 -0.26 116.67 127.40 1sjh s ASP 41 Ca -0.03 -0.16 0.43 0.00 -0.52 0.00 0.00 52.55 52.27 1sjh s ASP 41 Cb -0.17 -1.95 2.30 0.00 -1.46 0.00 0.00 42.92 41.65 1sjh s ASP 41 CO -0.08 -0.02 2.33 0.77 0.52 0.00 0.00 175.17 178.69 1sjh h SER 42 N 8.12 0.00 1.05 -0.34 4.64 -1.19 -0.08 113.55 125.76 1sjh h SER 42 Ca -0.38 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.81 1sjh h SER 42 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 1sjh h SER 42 CO 0.58 0.00 -0.64 0.44 -0.87 0.00 0.00 176.83 176.35 1sjh h ASP 43 N 0.00 0.00 0.28 4.97 3.32 -1.94 -3.26 116.42 119.79 1sjh h ASP 43 Ca -0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 1sjh h ASP 43 Cb 0.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1sjh h ASP 43 CO 0.00 0.64 -1.72 0.58 -1.72 0.00 0.00 179.24 177.02 1sjh h VAL 44 N 0.00 0.95 0.00 -1.35 2.07 -1.49 -3.49 116.25 112.94 1sjh h VAL 44 Ca -0.01 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 64.93 1sjh h VAL 44 Cb 1.34 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.80 1sjh h VAL 44 CO 0.08 0.83 0.00 0.61 0.02 0.00 0.00 177.57 179.11 1sjh n GLY 45 N 1.80 0.79 3.43 2.17 0.00 -0.22 -5.03 105.19 108.14 1sjh n GLY 45 Ca -0.23 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 1sjh n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sjh s GLU 46 N -0.72 1.26 0.52 1.61 -1.05 -1.26 -4.91 118.70 114.14 1sjh s GLU 46 Ca 0.00 -0.88 -0.21 0.00 -0.15 0.00 0.00 54.97 53.72 1sjh s GLU 46 Cb 0.00 0.48 -0.06 0.00 -0.44 0.00 0.00 34.13 34.11 1sjh s GLU 46 CO 0.00 -0.51 1.22 0.71 0.95 0.00 0.00 175.26 177.63 1sjh s TYR 47 N -3.87 2.61 -0.04 4.83 2.02 -1.26 -4.22 117.35 117.41 1sjh s TYR 47 Ca 0.09 1.49 -0.01 0.00 -0.37 0.00 0.00 57.07 58.27 1sjh s TYR 47 Cb 0.01 -3.50 0.03 0.00 -0.40 0.00 0.00 41.96 38.10 1sjh s TYR 47 CO -0.05 -2.02 0.07 1.03 -1.57 0.00 0.00 175.55 173.02 1sjh s ARG 48 N -2.92 -0.01 0.34 -0.62 1.81 -0.32 -4.93 118.95 112.28 1sjh s ARG 48 Ca 0.69 0.28 -0.29 0.00 -1.72 0.00 0.00 55.73 54.70 1sjh s ARG 48 Cb -0.32 -0.28 -0.10 0.00 -0.45 0.00 0.00 34.95 33.80 1sjh s ARG 48 CO 0.37 -0.20 1.31 0.00 -0.68 0.00 0.00 175.30 176.10 1sjh s ALA 49 N 1.36 3.49 -0.14 2.13 0.00 -1.26 -2.06 121.76 125.27 1sjh s ALA 49 Ca -0.06 1.27 0.18 0.00 0.00 0.00 0.00 51.96 53.35 1sjh s ALA 49 Cb -0.12 -3.48 -0.25 0.00 0.00 0.00 0.00 23.12 19.27 1sjh s ALA 49 CO -0.04 -0.66 0.30 0.28 0.00 0.00 0.00 175.76 175.64 1sjh n VAL 50 N 0.76 1.18 -4.07 0.00 0.31 0.28 -4.91 118.33 111.88 1sjh n VAL 50 Ca 0.00 -0.78 -0.10 0.00 -0.01 0.00 0.00 64.34 63.46 1sjh n VAL 50 Cb 0.42 -0.50 -0.09 0.00 -0.91 0.00 0.00 33.84 32.76 1sjh n VAL 50 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1sjh s THR 51 N -2.71 0.08 0.54 2.52 -4.23 -0.96 -4.97 115.64 105.91 1sjh s THR 51 Ca -0.08 -1.69 0.25 0.00 -1.18 0.00 0.00 61.69 58.99 1sjh s THR 51 Cb 0.08 -2.00 0.38 0.00 1.34 0.00 0.00 72.50 72.30 1sjh s THR 51 CO 0.84 -0.35 2.02 -0.33 -0.54 0.00 0.00 174.62 176.25 1sjh h GLU 52 N 2.70 0.00 -0.79 3.99 4.39 -1.94 -0.90 114.58 122.03 1sjh h GLU 52 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1sjh h GLU 52 Cb 1.22 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.83 1sjh h GLU 52 CO 0.54 0.00 0.51 1.25 -1.16 0.00 0.00 179.01 180.14 1sjh h LEU 53 N 0.00 0.92 0.00 1.33 6.46 -1.96 -2.69 115.31 119.37 1sjh h LEU 53 Ca 0.20 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1sjh h LEU 53 Cb 0.87 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 1sjh h LEU 53 CO -0.00 0.68 -0.19 0.61 -0.62 0.00 0.00 178.44 178.92 1sjh n GLY 54 N -1.37 -1.43 0.21 3.75 0.00 -0.35 -4.35 105.19 101.65 1sjh n GLY 54 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 1sjh n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sjh h ARG 55 N 0.00 0.03 -0.19 1.61 3.08 -1.45 -0.95 114.38 116.51 1sjh h ARG 55 Ca 0.00 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1sjh h ARG 55 Cb 0.52 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1sjh h ARG 55 CO 0.00 0.02 0.14 -1.35 -1.07 0.00 0.00 179.97 177.70 1sjh h PRO 56 N 0.03 0.02 0.03 0.04 0.11 -1.79 -2.07 132.00 128.37 1sjh h PRO 56 Ca 0.25 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.23 1sjh h PRO 56 Cb 0.39 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.51 1sjh h PRO 56 CO -0.51 0.01 -0.54 -0.44 -0.21 0.00 0.00 178.00 176.31 1sjh h ASP 57 N 0.02 0.42 -0.80 -2.05 3.32 -1.48 -1.66 116.42 114.19 1sjh h ASP 57 Ca 0.09 -0.82 0.05 0.00 0.02 0.00 0.00 57.03 56.36 1sjh h ASP 57 Cb 0.34 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 1sjh h ASP 57 CO -0.00 1.19 0.50 0.00 -1.72 0.00 0.00 179.24 179.21 1sjh h ALA 58 N 0.23 1.08 0.03 3.45 0.00 -1.20 0.29 119.26 123.14 1sjh h ALA 58 Ca -0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1sjh h ALA 58 Cb 1.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1sjh h ALA 58 CO 0.10 0.25 -0.01 1.49 0.00 0.00 0.00 179.25 181.09 1sjh h GLU 59 N 0.93 -0.04 -0.33 0.00 4.22 -1.42 -1.36 114.58 116.58 1sjh h GLU 59 Ca 0.34 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.65 1sjh h GLU 59 Cb 0.11 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1sjh h GLU 59 CO -0.15 0.12 -0.30 -0.92 -2.18 0.00 0.00 179.01 175.58 1sjh h TYR 60 N -0.19 0.94 -0.24 0.92 3.20 -0.91 -3.04 116.97 117.64 1sjh h TYR 60 Ca -0.00 -0.28 -0.14 0.00 3.14 0.00 0.00 58.73 61.45 1sjh h TYR 60 Cb 0.18 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1sjh h TYR 60 CO -0.02 1.05 -0.44 -1.49 -1.64 0.00 0.00 178.16 175.62 1sjh h TRP 61 N 0.56 0.71 0.00 -3.82 6.55 -0.46 -2.87 115.95 116.63 1sjh h TRP 61 Ca 0.06 -0.22 0.00 0.00 0.95 0.00 0.00 58.89 59.68 1sjh h TRP 61 Cb 0.88 -0.15 0.00 0.00 -0.86 0.00 0.00 29.16 29.03 1sjh h TRP 61 CO 0.07 0.93 0.00 -0.91 -1.05 0.00 0.00 178.44 177.48 1sjh h ASN 62 N 0.48 0.00 0.55 -3.49 2.35 -1.26 -2.05 115.58 112.15 1sjh h ASN 62 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1sjh h ASN 62 Cb 0.96 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.33 1sjh h ASN 62 CO 0.09 0.00 -0.18 -1.54 -1.65 0.00 0.00 177.43 174.15 1sjh n SER 63 N -2.80 0.38 -4.32 5.81 3.41 -1.08 -4.63 113.62 110.38 1sjh n SER 63 Ca 0.01 -0.25 -0.46 0.00 -0.26 0.00 0.00 58.87 57.91 1sjh n SER 63 Cb 0.25 -0.10 -0.05 0.00 -0.26 0.00 0.00 64.21 64.05 1sjh n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1sjh s GLN 64 N -2.73 3.02 0.24 4.33 -0.21 -0.77 -4.96 119.66 118.59 1sjh s GLN 64 Ca 0.21 -1.66 -0.07 0.00 0.02 0.00 0.00 55.36 53.86 1sjh s GLN 64 Cb 0.19 -4.30 0.26 0.00 1.00 0.00 0.00 33.01 30.16 1sjh s GLN 64 CO 0.54 -1.37 1.90 0.87 -2.12 0.00 0.00 175.29 175.11 1sjh h LYS 65 N 8.91 1.16 -0.85 2.91 6.56 -1.84 -1.61 116.57 131.81 1sjh h LYS 65 Ca -0.29 -0.07 -0.03 0.00 -1.06 0.00 0.00 60.65 59.20 1sjh h LYS 65 Cb 1.10 -0.26 -0.04 0.00 -0.57 0.00 0.00 32.23 32.45 1sjh h LYS 65 CO 1.04 0.77 0.41 -0.44 -2.06 0.00 0.00 179.45 179.18 1sjh h ASP 66 N 1.20 1.11 0.07 0.86 3.32 -1.96 0.02 116.42 121.04 1sjh h ASP 66 Ca 0.35 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1sjh h ASP 66 Cb -0.07 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.20 1sjh h ASP 66 CO -0.10 0.93 -0.03 0.25 -1.72 0.00 0.00 179.24 178.57 1sjh h LEU 67 N 1.21 -0.07 -1.00 1.55 5.85 -1.77 -1.42 115.31 119.66 1sjh h LEU 67 Ca 0.29 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1sjh h LEU 67 Cb 0.11 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1sjh h LEU 67 CO -0.04 0.16 0.60 0.25 -0.34 0.00 0.00 178.44 179.07 1sjh h LEU 68 N -0.31 1.13 -0.51 2.25 5.85 -1.14 0.72 115.31 123.29 1sjh h LEU 68 Ca -0.01 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1sjh h LEU 68 Cb 0.27 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1sjh h LEU 68 CO 0.01 0.85 0.05 -0.08 -0.34 0.00 0.00 178.44 178.93 1sjh h GLU 69 N 1.31 0.87 -0.23 1.25 4.81 -0.90 -0.04 114.58 121.65 1sjh h GLU 69 Ca 0.35 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1sjh h GLU 69 Cb -0.09 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1sjh h GLU 69 CO -0.07 0.88 0.08 0.37 -0.73 0.00 0.00 179.01 179.54 1sjh h GLN 70 N 0.75 0.36 -0.88 1.92 -0.00 -0.71 -2.45 115.11 114.10 1sjh h GLN 70 Ca 0.15 -0.08 0.04 0.00 -0.00 0.00 0.00 58.65 58.76 1sjh h GLN 70 Cb 0.45 -0.05 -0.05 0.00 0.00 0.00 0.00 27.48 27.82 1sjh h GLN 70 CO 0.02 0.44 0.57 0.00 0.00 0.00 0.00 178.83 179.85 1sjh h ARG 71 N 0.21 1.06 0.00 1.69 -0.00 -0.67 -1.75 114.38 114.92 1sjh h ARG 71 Ca 0.08 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.98 59.46 1sjh h ARG 71 Cb 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 29.97 29.95 1sjh h ARG 71 CO -0.00 0.70 -0.18 0.00 0.00 0.00 0.00 179.97 180.49 1sjh h ARG 72 N 1.10 0.00 0.00 0.04 3.08 -0.74 -3.01 114.38 114.84 1sjh h ARG 72 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1sjh h ARG 72 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1sjh h ARG 72 CO -0.12 0.18 -1.12 0.00 -1.07 0.00 0.00 179.97 177.83 1sjh n ALA 73 N -2.33 3.47 0.01 0.04 0.00 -0.87 -4.42 120.51 116.41 1sjh n ALA 73 Ca -0.02 -0.43 0.22 0.00 0.00 0.00 0.00 53.44 53.21 1sjh n ALA 73 Cb 0.28 -0.93 0.73 0.00 0.00 0.00 0.00 19.45 19.53 1sjh n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sjh h ALA 74 N 2.53 2.39 -0.23 0.00 0.00 -1.19 0.89 119.26 123.65 1sjh h ALA 74 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1sjh h ALA 74 Cb 0.74 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1sjh h ALA 74 CO 0.00 -0.73 0.18 -0.24 0.00 0.00 0.00 179.25 178.46 1sjh h VAL 75 N 0.00 0.76 0.00 0.00 3.04 -1.78 0.25 116.25 118.52 1sjh h VAL 75 Ca 0.26 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.91 1sjh h VAL 75 Cb 1.15 0.87 -0.01 0.00 -2.01 0.00 0.00 31.29 31.30 1sjh h VAL 75 CO -0.00 0.00 -0.91 0.47 -1.01 0.00 0.00 177.57 176.11 1sjh n ASP 76 N -4.27 1.88 0.25 3.17 8.00 0.25 -1.83 116.55 124.00 1sjh n ASP 76 Ca 0.03 0.46 0.11 0.00 0.71 0.00 0.00 54.79 56.10 1sjh n ASP 76 Cb 0.33 -0.81 0.62 0.00 -0.02 0.00 0.00 41.12 41.24 1sjh n ASP 76 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1sjh h THR 77 N -1.00 0.60 0.00 -3.53 1.35 -1.41 -2.34 112.91 106.59 1sjh h THR 77 Ca -0.06 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1sjh h THR 77 Cb 0.86 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1sjh h THR 77 CO -0.04 0.17 0.00 0.00 -0.25 0.00 0.00 175.52 175.40 1sjh n TYR 78 N -3.58 0.00 0.14 4.73 9.36 0.70 -4.45 117.16 124.06 1sjh n TYR 78 Ca -0.01 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.14 1sjh n TYR 78 Cb 0.31 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.98 1sjh n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1sjh h ARG 80 N -0.41 0.72 0.30 0.00 3.08 -1.38 -0.67 114.38 116.02 1sjh h ARG 80 Ca -0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1sjh h ARG 80 Cb 0.33 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1sjh h ARG 80 CO 0.03 0.48 -0.14 1.25 -1.07 0.00 0.00 179.97 180.51 1sjh h HIS 81 N 0.74 -0.37 0.00 3.04 2.76 -1.34 -1.43 115.15 118.56 1sjh h HIS 81 Ca 0.28 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.40 1sjh h HIS 81 Cb 0.17 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 1sjh h HIS 81 CO -0.00 -0.16 -0.21 -0.91 -1.30 0.00 0.00 177.93 175.36 1sjh h ASN 82 N -0.51 0.00 -0.29 3.26 2.35 -0.72 -1.45 115.58 118.23 1sjh h ASN 82 Ca -0.04 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 1sjh h ASN 82 Cb 0.38 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1sjh h ASN 82 CO 0.07 0.21 -0.07 0.22 -1.65 0.00 0.00 177.43 176.20 1sjh h TYR 83 N 0.00 0.63 -0.79 1.19 5.03 -0.91 -0.65 116.97 121.47 1sjh h TYR 83 Ca -0.00 -0.14 -0.01 0.00 2.58 0.00 0.00 58.73 61.16 1sjh h TYR 83 Cb 0.42 -0.15 -0.04 0.00 1.55 0.00 0.00 36.73 38.51 1sjh h TYR 83 CO 0.00 0.76 0.44 0.78 -1.32 0.00 0.00 178.16 178.82 1sjh h GLY 84 N 0.32 1.16 0.98 1.82 0.00 -0.54 0.72 103.07 107.53 1sjh h GLY 84 Ca 0.07 -0.50 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 1sjh h GLY 84 CO 0.03 0.48 -0.28 -2.08 0.00 0.00 0.00 176.54 174.69 1sjh h VAL 85 N 1.09 1.30 0.00 4.60 2.07 -1.04 -3.33 116.25 120.94 1sjh h VAL 85 Ca 0.28 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1sjh h VAL 85 Cb 0.00 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1sjh h VAL 85 CO -0.05 0.47 -0.73 0.61 0.02 0.00 0.00 177.57 177.89 1sjh n GLY 86 N 0.15 -1.14 0.31 2.17 0.00 -0.27 -4.55 105.19 101.86 1sjh n GLY 86 Ca -0.04 -0.46 0.07 0.00 0.00 0.00 0.00 46.02 45.60 1sjh n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sjh h GLU 87 N 0.00 0.05 -0.44 1.61 4.81 -0.97 -1.70 114.58 117.94 1sjh h GLU 87 Ca 0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1sjh h GLU 87 Cb 0.50 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1sjh h GLU 87 CO 0.00 0.03 0.24 0.66 -0.73 0.00 0.00 179.01 179.21 1sjh h SER 88 N 0.05 0.54 -0.34 1.04 4.64 -1.83 -1.48 113.55 116.16 1sjh h SER 88 Ca 0.47 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1sjh h SER 88 Cb 0.84 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1sjh h SER 88 CO -0.80 0.44 0.00 2.22 -0.87 0.00 0.00 176.83 177.82 1sjh n PHE 89 N -4.42 0.45 0.00 4.77 -1.74 -0.79 -4.12 117.46 111.61 1sjh n PHE 89 Ca 0.03 -0.36 0.00 0.00 -0.56 0.00 0.00 57.45 56.56 1sjh n PHE 89 Cb 0.10 -0.01 0.00 0.00 1.52 0.00 0.00 39.48 41.09 1sjh n PHE 89 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 1sjh n THR 90 N 0.86 0.00 -0.20 1.97 -2.24 -0.71 -4.46 114.28 109.50 1sjh n THR 90 Ca 0.14 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.02 1sjh n THR 90 Cb 0.46 -0.55 0.40 0.00 -2.10 0.00 0.00 70.33 68.54 1sjh n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1sjh h VAL 91 N 0.00 0.91 -0.01 2.28 2.07 -1.65 -2.14 116.25 117.71 1sjh h VAL 91 Ca 0.00 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1sjh h VAL 91 Cb 0.00 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1sjh h VAL 91 CO 0.00 0.12 -0.37 0.00 0.02 0.00 0.00 177.57 177.34 1sjh n GLN 92 N -4.50 1.07 -1.76 1.57 6.02 -0.59 -4.95 117.38 114.24 1sjh n GLN 92 Ca 0.13 -0.79 -0.42 0.00 -0.01 0.00 0.00 57.00 55.92 1sjh n GLN 92 Cb 0.37 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.13 1sjh n GLN 92 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1sjh s ARG 93 N -2.48 4.11 -0.12 -1.09 3.52 -0.81 -4.97 118.95 117.12 1sjh s ARG 93 Ca 0.21 2.59 -0.05 0.00 -0.13 0.00 0.00 55.73 58.36 1sjh s ARG 93 Cb 0.19 -3.02 0.05 0.00 -1.56 0.00 0.00 34.95 30.61 1sjh s ARG 93 CO 0.54 -0.65 0.26 1.03 -0.81 0.00 0.00 175.30 175.67 1sjh s ARG 94 N -0.36 0.19 -0.13 5.12 0.52 -1.26 -4.13 118.95 118.90 1sjh s ARG 94 Ca 0.64 0.64 -0.01 0.00 -0.52 0.00 0.00 55.73 56.49 1sjh s ARG 94 Cb -0.48 -0.08 0.03 0.00 0.52 0.00 0.00 34.95 34.94 1sjh s ARG 94 CO 0.47 -0.22 -0.05 0.08 0.02 0.00 0.00 175.30 175.60 1sjh s VAL 95 N 1.78 0.96 0.33 3.52 1.01 0.48 -4.96 120.40 123.53 1sjh s VAL 95 Ca -0.05 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 1sjh s VAL 95 Cb -0.11 -1.07 -0.11 0.00 0.00 0.00 0.00 36.38 35.09 1sjh s VAL 95 CO -0.09 0.25 1.46 -0.70 0.00 0.00 0.00 175.10 176.03 1sjh s GLU 96 N 1.72 4.19 0.49 2.72 2.12 -1.26 -1.69 118.70 126.99 1sjh s GLU 96 Ca 0.03 2.45 -0.19 0.00 0.36 0.00 0.00 54.97 57.62 1sjh s GLU 96 Cb -0.14 -3.02 -0.08 0.00 0.26 0.00 0.00 34.13 31.15 1sjh s GLU 96 CO -0.08 -0.46 1.02 -1.25 -0.54 0.00 0.00 175.26 173.95 1sjh s PRO 97 N -1.41 3.84 -0.15 4.30 0.04 -1.26 -4.48 135.00 135.87 1sjh s PRO 97 Ca 0.55 1.25 -0.17 0.00 0.04 0.00 0.00 61.00 62.68 1sjh s PRO 97 Cb -0.45 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 1sjh s PRO 97 CO 0.54 -0.39 0.43 0.21 0.04 0.00 0.00 177.00 177.84 1sjh s LYS 98 N -3.41 4.28 -0.09 4.56 2.20 0.70 -4.89 119.74 123.09 1sjh s LYS 98 Ca 0.65 0.33 0.03 0.00 -0.36 0.00 0.00 55.97 56.62 1sjh s LYS 98 Cb -0.14 -3.46 0.01 0.00 -1.51 0.00 0.00 37.83 32.72 1sjh s LYS 98 CO 0.22 0.11 -0.18 0.08 -0.36 0.00 0.00 175.35 175.23 1sjh s VAL 99 N 0.79 1.60 0.00 4.02 1.01 -1.26 -1.44 120.40 125.12 1sjh s VAL 99 Ca 0.23 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 1sjh s VAL 99 Cb -0.15 -1.42 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 1sjh s VAL 99 CO 0.08 0.46 0.10 0.28 0.00 0.00 0.00 175.10 176.02 1sjh s THR 100 N 0.61 0.08 -0.06 3.92 -1.32 -0.76 -5.01 115.64 113.10 1sjh s THR 100 Ca -0.14 -0.67 0.04 0.00 -1.21 0.00 0.00 61.69 59.71 1sjh s THR 100 Cb -0.16 -0.36 0.00 0.00 -1.51 0.00 0.00 72.50 70.46 1sjh s THR 100 CO 0.04 -0.37 -0.18 -0.69 -2.21 0.00 0.00 174.62 171.22 1sjh s VAL 101 N -1.25 1.53 0.04 5.08 1.01 -1.26 -1.05 120.40 124.51 1sjh s VAL 101 Ca -0.13 -0.74 -0.25 0.00 0.00 0.00 0.00 61.98 60.85 1sjh s VAL 101 Cb -0.07 -1.33 0.06 0.00 0.00 0.00 0.00 36.38 35.04 1sjh s VAL 101 CO 0.01 0.44 0.58 -0.72 0.00 0.00 0.00 175.10 175.41 1sjh s TYR 102 N 0.24 -0.51 0.42 5.22 1.13 -0.94 -5.01 117.35 117.89 1sjh s TYR 102 Ca -0.09 0.62 -0.24 0.00 -1.41 0.00 0.00 57.07 55.95 1sjh s TYR 102 Cb -0.14 0.40 -0.08 0.00 -1.10 0.00 0.00 41.96 41.04 1sjh s TYR 102 CO 0.04 -0.67 1.11 -1.25 -2.51 0.00 0.00 175.55 172.26 1sjh s PRO 103 N -2.36 4.03 0.67 -3.49 0.04 -1.26 -0.65 135.00 131.98 1sjh s PRO 103 Ca -0.06 1.65 -0.17 0.00 0.04 0.00 0.00 61.00 62.47 1sjh s PRO 103 Cb -0.01 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 32.00 1sjh s PRO 103 CO -0.01 -0.29 1.26 0.45 0.04 0.00 0.00 177.00 178.45 1sjh s SER 104 N -1.41 4.51 0.00 6.66 0.15 0.12 -4.81 113.70 118.93 1sjh s SER 104 Ca 0.59 2.52 0.25 0.00 0.70 0.00 0.00 55.95 60.01 1sjh s SER 104 Cb -0.26 -2.61 1.17 0.00 -1.71 0.00 0.00 66.02 62.62 1sjh s SER 104 CO 0.32 -2.06 1.84 0.29 1.20 0.00 0.00 173.24 174.83 1sjh n LYS 105 N -2.15 0.15 0.00 5.44 4.01 -1.26 -4.20 118.16 120.16 1sjh n LYS 105 Ca 0.15 0.06 0.00 0.00 -0.51 0.00 0.00 58.31 58.01 1sjh n LYS 105 Cb 0.49 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.51 1sjh n LYS 105 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1sjh n THR 106 N -1.41 0.00 -3.10 -0.18 -1.04 -1.26 -5.02 114.28 102.27 1sjh n THR 106 Ca 0.09 0.03 -0.05 0.00 -2.04 0.00 0.00 64.05 62.08 1sjh n THR 106 Cb 0.26 -0.07 0.02 0.00 -1.82 0.00 0.00 70.33 68.72 1sjh n THR 106 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sjh n GLN 107 N -0.40 -1.60 0.00 -2.82 1.13 -1.26 -5.01 117.38 107.43 1sjh n GLN 107 Ca 0.00 1.29 0.00 0.00 -1.94 0.00 0.00 57.00 56.35 1sjh n GLN 107 Cb 0.00 -5.73 0.00 0.00 0.11 0.00 0.00 30.24 24.62 1sjh n GLN 107 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1sjh n PRO 108 N -2.22 0.00 -1.59 -1.09 -0.04 -1.26 -4.66 135.00 124.13 1sjh n PRO 108 Ca -0.02 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.00 1sjh n PRO 108 Cb 0.54 -0.44 -0.03 0.00 -0.04 0.00 0.00 33.50 33.53 1sjh n PRO 108 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1sjh n LEU 109 N -0.03 3.26 0.00 1.53 -0.00 -1.26 -4.95 117.00 115.55 1sjh n LEU 109 Ca 0.00 0.29 0.00 0.00 -0.00 0.00 0.00 56.01 56.30 1sjh n LEU 109 Cb 0.00 -1.53 0.00 0.00 -0.00 0.00 0.00 43.42 41.89 1sjh n LEU 109 CO 0.00 -0.60 0.00 0.00 -0.00 0.00 0.00 177.39 176.79 1sjh n GLN 110 N 8.57 0.00 -0.98 1.47 3.00 -1.26 -3.57 117.38 124.60 1sjh n GLN 110 Ca 0.30 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.24 1sjh n GLN 110 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.65 1sjh n GLN 110 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1sjh n HIS 111 N 0.00 0.04 -3.24 1.08 8.25 -1.26 -4.49 115.22 115.60 1sjh n HIS 111 Ca 0.00 -0.05 -0.01 0.00 -0.26 0.00 0.00 57.72 57.40 1sjh n HIS 111 Cb 0.00 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.55 1sjh n HIS 111 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1sjh n HIS 112 N 5.04 -1.07 -3.15 4.41 8.25 -1.23 -4.83 115.22 122.64 1sjh n HIS 112 Ca 0.06 -0.28 0.05 0.00 -0.26 0.00 0.00 57.72 57.29 1sjh n HIS 112 Cb 0.35 0.14 -0.00 0.00 1.12 0.00 0.00 29.99 31.60 1sjh n HIS 112 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1sjh s ASN 113 N -1.36 -0.72 -0.36 0.41 3.04 -0.03 -4.80 114.94 111.12 1sjh s ASN 113 Ca 0.03 0.16 -0.29 0.00 0.04 0.00 0.00 52.86 52.80 1sjh s ASN 113 Cb -0.01 1.49 0.02 0.00 -1.54 0.00 0.00 41.25 41.21 1sjh s ASN 113 CO 0.02 -0.13 1.08 -0.22 -3.04 0.00 0.00 177.10 174.80 1sjh s LEU 114 N 2.93 3.87 0.21 3.21 0.20 -1.26 -1.97 118.68 125.86 1sjh s LEU 114 Ca 0.18 0.90 -0.08 0.00 0.69 0.00 0.00 54.13 55.82 1sjh s LEU 114 Cb -0.06 -3.53 -0.07 0.00 -0.43 0.00 0.00 46.19 42.11 1sjh s LEU 114 CO -0.21 -0.96 0.50 -0.76 -0.29 0.00 0.00 176.35 174.63 1sjh s LEU 115 N 3.82 4.19 -0.13 -0.68 1.43 -0.55 0.15 118.68 126.91 1sjh s LEU 115 Ca 0.46 0.82 0.01 0.00 -1.03 0.00 0.00 54.13 54.39 1sjh s LEU 115 Cb -0.11 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.55 1sjh s LEU 115 CO 0.19 -0.04 -0.13 -0.69 0.23 0.00 0.00 176.35 175.91 1sjh s VAL 116 N -1.78 1.45 -0.37 -1.59 1.01 0.17 -1.42 120.40 117.88 1sjh s VAL 116 Ca 0.46 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 1sjh s VAL 116 Cb -0.11 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.93 1sjh s VAL 116 CO 0.22 0.44 0.18 0.00 0.00 0.00 0.00 175.10 175.94 1sjh s SER 118 N 1.54 6.49 -0.17 0.00 0.15 -0.21 -2.06 113.70 119.43 1sjh s SER 118 Ca 0.01 0.57 -0.01 0.00 0.70 0.00 0.00 55.95 57.22 1sjh s SER 118 Cb -0.19 -2.23 0.05 0.00 -1.71 0.00 0.00 66.02 61.93 1sjh s SER 118 CO 0.05 -0.01 -0.02 -0.69 1.20 0.00 0.00 173.24 173.77 1sjh s VAL 119 N 0.90 0.93 0.23 4.45 1.01 -0.75 -1.84 120.40 125.34 1sjh s VAL 119 Ca 0.20 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1sjh s VAL 119 Cb -0.14 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1sjh s VAL 119 CO 0.07 0.03 0.18 -0.94 0.00 0.00 0.00 175.10 174.44 1sjh s SER 120 N 1.70 0.43 -1.49 3.32 1.04 -0.52 -0.78 113.70 117.41 1sjh s SER 120 Ca -0.00 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 54.99 1sjh s SER 120 Cb -0.16 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1sjh s SER 120 CO -0.07 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.86 1sjh n GLY 121 N -0.34 1.44 3.96 7.32 0.00 -0.56 -0.22 105.19 116.79 1sjh n GLY 121 Ca 0.03 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 1sjh n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sjh s PHE 122 N -2.45 3.20 -0.27 1.61 -0.71 -1.13 -4.68 117.98 113.55 1sjh s PHE 122 Ca 0.00 -0.16 -0.24 0.00 -1.04 0.00 0.00 56.93 55.50 1sjh s PHE 122 Cb 0.00 -1.80 0.07 0.00 -1.21 0.00 0.00 43.02 40.08 1sjh s PHE 122 CO 0.00 0.18 0.71 -0.47 -1.34 0.00 0.00 175.22 174.30 1sjh s TYR 123 N -2.12 -0.81 1.11 3.49 6.14 -0.68 -0.49 117.35 123.98 1sjh s TYR 123 Ca 0.40 1.94 -0.17 0.00 0.64 0.00 0.00 57.07 59.87 1sjh s TYR 123 Cb -0.09 0.31 0.25 0.00 0.42 0.00 0.00 41.96 42.85 1sjh s TYR 123 CO 0.30 -0.39 1.15 -1.25 0.64 0.00 0.00 175.55 176.00 1sjh s PRO 124 N 0.52 -0.52 0.54 4.97 0.04 -1.26 -0.39 135.00 138.90 1sjh s PRO 124 Ca -0.01 -0.06 0.32 0.00 0.04 0.00 0.00 61.00 61.29 1sjh s PRO 124 Cb -0.05 -1.68 1.40 0.00 0.04 0.00 0.00 34.50 34.22 1sjh s PRO 124 CO -0.01 -3.25 2.01 0.78 0.04 0.00 0.00 177.00 176.56 1sjh h GLY 125 N -2.25 0.00 -4.98 0.56 0.00 -1.98 -3.44 103.07 90.99 1sjh h GLY 125 Ca -0.46 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.33 1sjh h GLY 125 CO 0.39 0.00 1.01 -0.45 0.00 0.00 0.00 176.54 177.50 1sjh s SER 126 N -5.81 6.60 -0.05 0.19 0.15 -1.26 -4.96 113.70 108.55 1sjh s SER 126 Ca -0.00 2.48 -0.29 0.00 0.70 0.00 0.00 55.95 58.83 1sjh s SER 126 Cb 0.10 -2.56 0.10 0.00 -1.71 0.00 0.00 66.02 61.95 1sjh s SER 126 CO 0.55 -0.89 0.83 -0.51 1.20 0.00 0.00 173.24 174.42 1sjh s ILE 127 N 2.78 0.00 -0.13 6.45 2.07 -1.26 -4.52 121.20 126.59 1sjh s ILE 127 Ca 0.74 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.99 1sjh s ILE 127 Cb -0.39 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.22 1sjh s ILE 127 CO 0.32 0.00 -0.13 -1.61 -1.91 0.00 0.00 174.94 171.61 1sjh s GLU 128 N -1.90 2.13 -0.21 3.50 2.02 -0.42 -4.99 118.70 118.83 1sjh s GLU 128 Ca -0.03 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.47 1sjh s GLU 128 Cb -0.01 -1.94 0.02 0.00 0.10 0.00 0.00 34.13 32.31 1sjh s GLU 128 CO -0.00 -0.19 -0.15 0.08 0.02 0.00 0.00 175.26 175.02 1sjh s VAL 129 N 1.39 2.35 0.15 2.63 1.01 -1.26 -0.88 120.40 125.79 1sjh s VAL 129 Ca 0.02 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 61.07 1sjh s VAL 129 Cb -0.13 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1sjh s VAL 129 CO -0.08 0.38 -0.20 -0.13 0.00 0.00 0.00 175.10 175.07 1sjh s ARG 130 N 1.29 1.28 -0.04 2.72 0.52 0.62 -4.96 118.95 120.37 1sjh s ARG 130 Ca 0.02 -1.35 0.02 0.00 -0.52 0.00 0.00 55.73 53.90 1sjh s ARG 130 Cb -0.15 -1.46 -0.03 0.00 0.52 0.00 0.00 34.95 33.83 1sjh s ARG 130 CO -0.09 0.32 -0.09 -1.58 0.02 0.00 0.00 175.30 173.88 1sjh s TRP 131 N -1.67 2.86 0.03 -0.53 0.52 -1.26 0.21 118.94 119.09 1sjh s TRP 131 Ca 0.14 -0.04 0.03 0.00 0.02 0.00 0.00 56.10 56.24 1sjh s TRP 131 Cb -0.08 -1.65 -0.02 0.00 -1.15 0.00 0.00 33.47 30.57 1sjh s TRP 131 CO 0.06 0.31 -0.09 -0.06 0.02 0.00 0.00 176.95 177.19 1sjh s PHE 132 N -0.85 0.82 -0.31 -1.98 0.40 0.12 -0.55 117.98 115.62 1sjh s PHE 132 Ca 0.14 -0.33 0.02 0.00 -0.60 0.00 0.00 56.93 56.16 1sjh s PHE 132 Cb -0.11 -0.49 0.09 0.00 0.51 0.00 0.00 43.02 43.02 1sjh s PHE 132 CO 0.03 -0.02 0.03 0.50 0.70 0.00 0.00 175.22 176.46 1sjh s ARG 133 N -1.01 1.37 -1.01 0.44 3.52 0.11 -0.17 118.95 122.20 1sjh s ARG 133 Ca -0.02 -1.49 -0.02 0.00 -0.13 0.00 0.00 55.73 54.06 1sjh s ARG 133 Cb -0.07 -2.78 -0.03 0.00 -1.56 0.00 0.00 34.95 30.51 1sjh s ARG 133 CO 0.01 -0.87 0.86 0.09 -0.81 0.00 0.00 175.30 174.58 1sjh n ASN 134 N 4.48 -3.81 0.00 -2.12 3.02 -0.83 -2.97 115.26 113.03 1sjh n ASN 134 Ca -0.01 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 1sjh n ASN 134 Cb 0.42 -4.65 0.00 0.00 -0.61 0.00 0.00 39.78 34.94 1sjh n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sjh n GLY 135 N -1.18 2.15 3.55 7.41 0.00 -1.26 -4.97 105.19 110.89 1sjh n GLY 135 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1sjh n GLY 135 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sjh s GLN 136 N 0.00 3.69 0.56 1.61 -2.07 -1.16 -5.05 119.66 117.23 1sjh s GLN 136 Ca 0.00 -0.47 -0.21 0.00 -1.82 0.00 0.00 55.36 52.86 1sjh s GLN 136 Cb 0.00 -2.97 -0.05 0.00 -1.09 0.00 0.00 33.01 28.90 1sjh s GLN 136 CO 0.00 0.29 1.27 -1.91 -1.32 0.00 0.00 175.29 173.63 1sjh n GLU 137 N 3.40 1.49 -3.42 9.60 2.13 -1.26 -0.72 120.64 131.86 1sjh n GLU 137 Ca -0.17 0.55 -0.42 0.00 0.66 0.00 0.00 57.16 57.78 1sjh n GLU 137 Cb 0.52 -2.48 -0.10 0.00 0.27 0.00 0.00 31.44 29.66 1sjh n GLU 137 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1sjh s GLU 138 N -2.87 3.30 -0.16 5.31 0.41 0.29 -4.79 118.70 120.19 1sjh s GLU 138 Ca 0.73 -0.68 -0.21 0.00 -0.41 0.00 0.00 54.97 54.40 1sjh s GLU 138 Cb -0.42 -3.88 -0.18 0.00 -1.78 0.00 0.00 34.13 27.86 1sjh s GLU 138 CO 0.48 -0.64 0.39 0.87 -0.49 0.00 0.00 175.26 175.88 1sjh h LYS 139 N 8.57 0.00 -6.90 1.61 1.79 -1.94 -3.43 116.57 116.26 1sjh h LYS 139 Ca -0.29 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 57.73 1sjh h LYS 139 Cb 1.13 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.83 1sjh h LYS 139 CO 0.71 0.79 0.02 0.00 -1.08 0.00 0.00 179.45 179.89 1sjh s ALA 140 N -2.36 3.62 0.00 3.86 0.00 -1.26 -4.32 121.76 121.30 1sjh s ALA 140 Ca -0.20 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1sjh s ALA 140 Cb 0.01 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.84 1sjh s ALA 140 CO 0.53 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1sjh n GLY 141 N -2.37 0.84 3.70 0.00 0.00 -1.26 -4.90 105.19 101.20 1sjh n GLY 141 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1sjh n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sjh s VAL 142 N -3.53 5.21 -0.03 1.61 1.01 -1.26 -1.83 120.40 121.58 1sjh s VAL 142 Ca 0.00 0.78 0.01 0.00 0.00 0.00 0.00 61.98 62.77 1sjh s VAL 142 Cb 0.00 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.65 1sjh s VAL 142 CO 0.00 0.30 -0.04 -0.69 0.00 0.00 0.00 175.10 174.67 1sjh s VAL 143 N 0.93 0.44 0.18 2.92 1.01 -0.41 -4.99 120.40 120.48 1sjh s VAL 143 Ca 0.21 -0.10 0.11 0.00 0.00 0.00 0.00 61.98 62.20 1sjh s VAL 143 Cb -0.15 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1sjh s VAL 143 CO 0.08 0.19 -0.20 -0.55 0.00 0.00 0.00 175.10 174.61 1sjh s SER 144 N 0.74 3.66 0.00 3.32 0.15 -1.26 0.80 113.70 121.11 1sjh s SER 144 Ca -0.09 -0.76 0.28 0.00 0.70 0.00 0.00 55.95 56.08 1sjh s SER 144 Cb -0.12 -0.39 0.99 0.00 -1.71 0.00 0.00 66.02 64.79 1sjh s SER 144 CO -0.00 0.13 1.72 0.35 1.20 0.00 0.00 173.24 176.63 1sjh n THR 145 N 0.33 0.00 0.00 6.45 -2.24 -0.37 -5.01 114.28 113.43 1sjh n THR 145 Ca -0.13 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1sjh n THR 145 Cb 0.55 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1sjh n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sjh n GLY 146 N 1.32 -0.59 3.66 3.38 0.00 -1.26 -4.87 105.19 106.83 1sjh n GLY 146 Ca 0.13 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 1sjh n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sjh s LEU 147 N -2.45 4.14 -0.20 0.99 2.96 -1.26 -4.47 118.68 118.38 1sjh s LEU 147 Ca 0.00 1.33 -0.06 0.00 -0.22 0.00 0.00 54.13 55.19 1sjh s LEU 147 Cb 0.00 -3.45 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 1sjh s LEU 147 CO 0.00 -0.57 0.02 -0.63 -1.32 0.00 0.00 176.35 173.85 1sjh s ILE 148 N 2.77 4.16 -0.38 6.68 1.09 -0.16 -4.99 121.20 130.37 1sjh s ILE 148 Ca 0.43 -0.24 -0.17 0.00 -1.10 0.00 0.00 60.65 59.57 1sjh s ILE 148 Cb -0.16 -2.89 0.00 0.00 -1.06 0.00 0.00 42.46 38.36 1sjh s ILE 148 CO 0.09 0.43 0.43 -1.58 -0.10 0.00 0.00 174.94 174.21 1sjh s GLN 149 N 0.92 3.38 0.00 2.79 0.74 -1.26 -1.33 119.66 124.89 1sjh s GLN 149 Ca 0.02 -0.50 0.23 0.00 0.05 0.00 0.00 55.36 55.15 1sjh s GLN 149 Cb -0.14 -3.87 1.04 0.00 1.10 0.00 0.00 33.01 31.14 1sjh s GLN 149 CO 0.02 -0.69 1.73 0.09 -0.55 0.00 0.00 175.29 175.89 1sjh n ASN 150 N 5.57 0.00 0.00 6.67 3.02 -0.59 -4.90 115.26 125.03 1sjh n ASN 150 Ca -0.07 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1sjh n ASN 150 Cb 0.48 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1sjh n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sjh n GLY 151 N 0.76 0.91 0.47 7.41 0.00 -1.26 -4.86 105.19 108.62 1sjh n GLY 151 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.17 1sjh n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sjh n ASP 152 N 0.00 1.86 -1.20 1.61 5.75 -1.26 -4.93 116.55 118.37 1sjh n ASP 152 Ca 0.00 -3.64 -0.10 0.00 -0.01 0.00 0.00 54.79 51.03 1sjh n ASP 152 Cb 0.00 -0.50 -0.00 0.00 -1.03 0.00 0.00 41.12 39.59 1sjh n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1sjh n TRP 153 N -1.17 -0.53 -4.02 2.11 7.02 -1.26 -5.03 117.44 114.56 1sjh n TRP 153 Ca 0.18 0.03 -0.09 0.00 -1.02 0.00 0.00 57.50 56.60 1sjh n TRP 153 Cb 0.68 -2.47 -0.11 0.00 -2.42 0.00 0.00 31.31 27.00 1sjh n TRP 153 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1sjh s THR 154 N -2.54 0.18 0.27 -0.99 -1.32 -1.26 -4.65 115.64 105.33 1sjh s THR 154 Ca 0.02 -1.16 0.05 0.00 -1.21 0.00 0.00 61.69 59.38 1sjh s THR 154 Cb -0.01 -0.62 -0.06 0.00 -1.51 0.00 0.00 72.50 70.30 1sjh s THR 154 CO 0.02 -0.62 -0.02 -0.36 -2.21 0.00 0.00 174.62 171.43 1sjh s PHE 155 N -2.10 1.83 0.11 9.09 0.40 0.36 -1.54 117.98 126.13 1sjh s PHE 155 Ca -0.09 -0.82 -0.16 0.00 -0.60 0.00 0.00 56.93 55.25 1sjh s PHE 155 Cb -0.05 -1.09 0.04 0.00 0.51 0.00 0.00 43.02 42.42 1sjh s PHE 155 CO -0.03 0.12 0.40 1.14 0.70 0.00 0.00 175.22 177.56 1sjh s GLN 156 N -3.80 1.05 -0.15 0.44 -2.07 -0.45 -1.49 119.66 113.19 1sjh s GLN 156 Ca 0.31 -0.65 -0.30 0.00 -1.82 0.00 0.00 55.36 52.89 1sjh s GLN 156 Cb 0.05 0.46 0.12 0.00 -1.09 0.00 0.00 33.01 32.55 1sjh s GLN 156 CO 0.12 -0.40 0.94 -0.08 -1.32 0.00 0.00 175.29 174.54 1sjh s THR 157 N -3.60 0.00 -0.11 3.63 -1.32 0.04 -0.99 115.64 113.30 1sjh s THR 157 Ca 0.02 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.53 1sjh s THR 157 Cb 0.01 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 1sjh s THR 157 CO -0.11 0.00 -0.23 -0.76 -2.21 0.00 0.00 174.62 171.32 1sjh s LEU 158 N -1.04 2.07 -0.22 9.08 1.43 -1.26 -1.81 118.68 126.92 1sjh s LEU 158 Ca -0.03 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 1sjh s LEU 158 Cb -0.01 -1.39 0.05 0.00 0.03 0.00 0.00 46.19 44.88 1sjh s LEU 158 CO 0.03 0.13 -0.07 -0.69 0.23 0.00 0.00 176.35 175.98 1sjh s VAL 159 N 0.48 1.61 0.33 -1.59 1.01 -0.88 -1.24 120.40 120.12 1sjh s VAL 159 Ca -0.16 -1.18 -0.03 0.00 0.00 0.00 0.00 61.98 60.61 1sjh s VAL 159 Cb -0.17 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1sjh s VAL 159 CO 0.06 -0.01 0.58 -0.04 0.00 0.00 0.00 175.10 175.68 1sjh s MET 160 N 1.37 3.58 -0.19 2.72 -1.94 0.24 -1.83 119.30 123.26 1sjh s MET 160 Ca -0.05 -0.06 -0.05 0.00 -1.71 0.00 0.00 55.69 53.82 1sjh s MET 160 Cb -0.18 -2.62 0.07 0.00 2.01 0.00 0.00 34.83 34.11 1sjh s MET 160 CO -0.07 0.15 0.11 -1.17 -0.01 0.00 0.00 175.02 174.04 1sjh s LEU 161 N -3.88 0.30 -0.08 -0.03 2.96 -0.51 -1.28 118.68 116.15 1sjh s LEU 161 Ca 0.43 -0.65 -0.30 0.00 -0.22 0.00 0.00 54.13 53.39 1sjh s LEU 161 Cb -0.10 -0.17 -0.03 0.00 0.50 0.00 0.00 46.19 46.39 1sjh s LEU 161 CO 0.33 -0.36 1.29 -0.70 -1.32 0.00 0.00 176.35 175.60 1sjh s GLU 162 N 2.16 4.28 0.22 1.98 2.56 -0.76 -1.48 118.70 127.67 1sjh s GLU 162 Ca 0.04 1.76 0.06 0.00 0.00 0.00 0.00 54.97 56.83 1sjh s GLU 162 Cb -0.16 -3.67 -0.05 0.00 2.00 0.00 0.00 34.13 32.25 1sjh s GLU 162 CO -0.13 -0.59 -0.08 0.95 -0.56 0.00 0.00 175.26 174.84 1sjh s THR 163 N 2.85 1.45 -0.72 -1.70 -4.23 -0.83 -4.86 115.64 107.59 1sjh s THR 163 Ca 0.58 -2.12 0.04 0.00 -1.18 0.00 0.00 61.69 59.02 1sjh s THR 163 Cb -0.25 -2.18 0.19 0.00 1.34 0.00 0.00 72.50 71.59 1sjh s THR 163 CO 0.21 -0.49 0.56 0.52 -0.54 0.00 0.00 174.62 174.88 1sjh n VAL 164 N -0.41 1.90 -1.56 2.29 0.31 -1.26 -0.85 118.33 118.76 1sjh n VAL 164 Ca -0.07 -4.95 -0.50 0.00 -0.01 0.00 0.00 64.34 58.81 1sjh n VAL 164 Cb 0.62 -2.20 -0.05 0.00 -0.91 0.00 0.00 33.84 31.31 1sjh n VAL 164 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1sjh n PRO 165 N 1.84 0.93 -3.81 5.55 -0.04 -1.26 -5.01 135.00 133.21 1sjh n PRO 165 Ca 0.21 0.33 -0.27 0.00 -0.04 0.00 0.00 63.50 63.74 1sjh n PRO 165 Cb 0.36 -1.80 -0.17 0.00 -0.04 0.00 0.00 33.50 31.85 1sjh n PRO 165 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1sjh s ARG 166 N -0.33 0.96 -0.29 0.54 0.52 -1.26 -5.05 118.95 114.04 1sjh s ARG 166 Ca 0.75 -0.36 -0.36 0.00 -0.52 0.00 0.00 55.73 55.24 1sjh s ARG 166 Cb -0.91 -1.85 -0.16 0.00 0.52 0.00 0.00 34.95 32.55 1sjh s ARG 166 CO 0.53 -0.49 1.15 0.45 0.02 0.00 0.00 175.30 176.96 1sjh n SER 167 N 4.99 0.70 0.00 0.23 2.88 -1.26 -1.30 113.62 119.87 1sjh n SER 167 Ca -0.10 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1sjh n SER 167 Cb 0.48 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1sjh n SER 167 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sjh n GLY 168 N 2.65 0.40 3.85 0.46 0.00 -1.26 -5.05 105.19 106.24 1sjh n GLY 168 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1sjh n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sjh s GLU 169 N -0.92 4.01 -0.29 1.61 2.02 -0.42 -4.88 118.70 119.83 1sjh s GLU 169 Ca 0.00 0.70 0.03 0.00 0.02 0.00 0.00 54.97 55.72 1sjh s GLU 169 Cb 0.00 -2.40 0.08 0.00 0.10 0.00 0.00 34.13 31.91 1sjh s GLU 169 CO 0.00 0.13 -0.03 0.08 0.02 0.00 0.00 175.26 175.46 1sjh s VAL 170 N -2.03 2.06 -0.36 2.63 1.01 -1.26 -0.43 120.40 122.02 1sjh s VAL 170 Ca 0.55 -1.85 -0.18 0.00 0.00 0.00 0.00 61.98 60.51 1sjh s VAL 170 Cb -0.10 -2.34 -0.00 0.00 0.00 0.00 0.00 36.38 33.94 1sjh s VAL 170 CO 0.18 -0.30 0.48 -0.31 0.00 0.00 0.00 175.10 175.15 1sjh s TYR 171 N 1.09 3.18 -0.13 5.22 2.02 -0.53 -1.97 117.35 126.23 1sjh s TYR 171 Ca 0.00 0.08 -0.04 0.00 -0.37 0.00 0.00 57.07 56.74 1sjh s TYR 171 Cb -0.19 -2.89 -0.03 0.00 -0.40 0.00 0.00 41.96 38.44 1sjh s TYR 171 CO -0.07 -0.55 0.02 0.99 -1.57 0.00 0.00 175.55 174.37 1sjh s THR 172 N 2.32 4.43 -0.26 -0.71 2.01 0.75 -0.38 115.64 123.80 1sjh s THR 172 Ca 0.17 -0.18 -0.10 0.00 0.31 0.00 0.00 61.69 61.89 1sjh s THR 172 Cb -0.16 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 1sjh s THR 172 CO 0.13 0.54 0.14 0.00 -0.69 0.00 0.00 174.62 174.74 1sjh s GLN 174 N 1.63 3.26 -0.11 0.00 0.74 0.13 -2.12 119.66 123.19 1sjh s GLN 174 Ca 0.07 -0.57 0.01 0.00 0.05 0.00 0.00 55.36 54.91 1sjh s GLN 174 Cb -0.15 -2.72 0.02 0.00 1.10 0.00 0.00 33.01 31.26 1sjh s GLN 174 CO 0.08 0.39 -0.11 0.08 -0.55 0.00 0.00 175.29 175.18 1sjh s VAL 175 N -0.07 1.24 -0.16 1.34 1.01 0.46 -0.28 120.40 123.95 1sjh s VAL 175 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 1sjh s VAL 175 Cb -0.13 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 1sjh s VAL 175 CO 0.03 0.40 -0.10 -1.61 0.00 0.00 0.00 175.10 173.82 1sjh s GLU 176 N 1.33 3.43 -0.02 2.72 2.02 -0.06 -0.49 118.70 127.62 1sjh s GLU 176 Ca -0.01 -0.64 -0.14 0.00 0.02 0.00 0.00 54.97 54.20 1sjh s GLU 176 Cb -0.14 -2.77 0.02 0.00 0.10 0.00 0.00 34.13 31.35 1sjh s GLU 176 CO -0.05 0.12 0.30 -1.58 0.02 0.00 0.00 175.26 174.06 1sjh s HIS 177 N 0.62 -0.18 0.64 1.61 2.46 -1.26 -1.29 115.29 117.89 1sjh s HIS 177 Ca -0.06 0.30 0.28 0.00 0.47 0.00 0.00 55.06 56.05 1sjh s HIS 177 Cb -0.15 0.09 1.52 0.00 -0.13 0.00 0.00 32.58 33.90 1sjh s HIS 177 CO 0.03 -0.36 1.87 -1.35 -2.47 0.00 0.00 174.74 172.46 1sjh h PRO 178 N 4.09 0.00 0.00 2.88 0.11 -1.93 -0.89 132.00 136.26 1sjh h PRO 178 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1sjh h PRO 178 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1sjh h PRO 178 CO 0.39 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.84 1sjh h SER 179 N 0.00 0.00 -4.34 -2.05 4.64 -1.89 -3.44 113.55 106.47 1sjh h SER 179 Ca 0.06 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.82 1sjh h SER 179 Cb 0.87 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.67 1sjh h SER 179 CO -0.00 0.00 -0.84 0.68 -0.87 0.00 0.00 176.83 175.80 1sjh s VAL 180 N -3.38 1.46 0.16 0.95 -7.23 -0.34 -4.86 120.40 107.17 1sjh s VAL 180 Ca 0.05 -0.86 0.14 0.00 -1.81 0.00 0.00 61.98 59.50 1sjh s VAL 180 Cb 0.09 -1.23 0.03 0.00 0.56 0.00 0.00 36.38 35.83 1sjh s VAL 180 CO 0.55 0.35 1.61 0.71 -0.31 0.00 0.00 175.10 178.01 1sjh h THR 181 N 4.62 1.17 -3.99 5.32 1.35 -1.86 -3.42 112.91 116.10 1sjh h THR 181 Ca -0.38 -2.02 -0.46 0.00 -0.55 0.00 0.00 66.41 62.99 1sjh h THR 181 Cb 1.15 2.16 -0.23 0.00 -1.73 0.00 0.00 68.15 69.51 1sjh h THR 181 CO 0.47 0.53 -0.80 -0.94 -0.25 0.00 0.00 175.52 174.54 1sjh s SER 182 N -6.61 1.89 0.53 5.36 1.04 -1.26 -5.12 113.70 109.53 1sjh s SER 182 Ca 0.00 -0.58 -0.22 0.00 0.48 0.00 0.00 55.95 55.64 1sjh s SER 182 Cb 0.11 -0.09 -0.06 0.00 0.10 0.00 0.00 66.02 66.08 1sjh s SER 182 CO 0.73 -0.00 1.22 -0.81 0.98 0.00 0.00 173.24 175.37 1sjh n PRO 183 N 1.47 1.49 -3.55 4.02 -0.04 -1.26 -4.93 135.00 132.19 1sjh n PRO 183 Ca -0.20 0.55 -0.38 0.00 -0.04 0.00 0.00 63.50 63.44 1sjh n PRO 183 Cb 0.54 -2.41 -0.06 0.00 -0.04 0.00 0.00 33.50 31.53 1sjh n PRO 183 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1sjh s LEU 184 N -2.65 4.42 -0.01 1.53 1.43 0.35 -4.90 118.68 118.85 1sjh s LEU 184 Ca 0.71 0.82 0.02 0.00 -1.03 0.00 0.00 54.13 54.64 1sjh s LEU 184 Cb -0.44 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.30 1sjh s LEU 184 CO 0.50 0.29 -0.06 0.42 0.23 0.00 0.00 176.35 177.73 1sjh s THR 185 N -0.76 0.49 -0.08 5.49 -4.23 -1.26 -0.40 115.64 114.89 1sjh s THR 185 Ca 0.22 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1sjh s THR 185 Cb -0.15 -0.44 0.02 0.00 1.34 0.00 0.00 72.50 73.27 1sjh s THR 185 CO 0.10 0.15 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.59 1sjh s VAL 186 N 0.08 0.75 0.02 2.29 1.01 -0.90 -4.98 120.40 118.67 1sjh s VAL 186 Ca -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 1sjh s VAL 186 Cb -0.05 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1sjh s VAL 186 CO -0.00 0.30 0.13 -1.61 0.00 0.00 0.00 175.10 173.92 1sjh s GLU 187 N 1.38 3.20 -0.26 2.72 2.02 -1.26 -1.55 118.70 124.95 1sjh s GLU 187 Ca -0.03 -0.47 -0.03 0.00 0.02 0.00 0.00 54.97 54.46 1sjh s GLU 187 Cb -0.13 -2.93 0.02 0.00 0.10 0.00 0.00 34.13 31.18 1sjh s GLU 187 CO -0.03 0.63 -0.02 -0.46 0.02 0.00 0.00 175.26 175.40 1sjh s TRP 188 N -1.32 3.07 -0.50 1.61 -0.11 0.49 -4.97 118.94 117.21 1sjh s TRP 188 Ca 0.27 -1.32 -0.22 0.00 1.22 0.00 0.00 56.10 56.05 1sjh s TRP 188 Cb -0.12 -2.11 0.04 0.00 -1.50 0.00 0.00 33.47 29.77 1sjh s TRP 188 CO 0.19 -0.67 0.77 1.03 -4.62 0.00 0.00 176.95 173.66 1sjh s ARG 189 N 1.39 3.29 0.00 5.86 1.81 -1.26 -1.45 118.95 128.59 1sjh s ARG 189 Ca 0.02 -0.40 0.23 0.00 -1.72 0.00 0.00 55.73 53.86 1sjh s ARG 189 Cb -0.16 -4.02 1.39 0.00 -0.45 0.00 0.00 34.95 31.71 1sjh s ARG 189 CO -0.03 -1.25 1.76 0.00 -0.68 0.00 0.00 175.30 175.10