#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sj5 s MET 1 N 0.00 0.80 0.09 -0.41 0.00 -1.26 -1.79 119.30 116.72 1sj5 s MET 1 Ca 0.00 0.71 0.08 0.00 0.00 0.00 0.00 55.69 56.48 1sj5 s MET 1 Cb 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 34.83 35.18 1sj5 s MET 1 CO 0.00 -0.14 -0.17 -0.98 0.00 0.00 0.00 175.02 173.73 1sj5 s ARG 2 N -0.08 1.93 0.33 3.16 1.70 -1.17 -4.89 118.95 119.93 1sj5 s ARG 2 Ca -0.02 -1.09 -0.27 0.00 -0.47 0.00 0.00 55.73 53.88 1sj5 s ARG 2 Cb -0.04 -2.17 -0.09 0.00 -0.57 0.00 0.00 34.95 32.09 1sj5 s ARG 2 CO 0.01 0.51 1.05 0.21 -1.08 0.00 0.00 175.30 176.00 1sj5 s LYS 3 N -1.90 4.46 0.18 3.89 2.20 -1.26 -1.59 119.74 125.71 1sj5 s LYS 3 Ca 0.17 1.62 0.07 0.00 -0.36 0.00 0.00 55.97 57.48 1sj5 s LYS 3 Cb -0.11 -2.90 -0.04 0.00 -1.51 0.00 0.00 37.83 33.27 1sj5 s LYS 3 CO 0.09 0.10 -0.15 0.00 -0.36 0.00 0.00 175.35 175.02 1sj5 s ALA 4 N -1.40 1.89 0.39 3.13 0.00 0.21 -1.20 121.76 124.78 1sj5 s ALA 4 Ca 0.50 -1.55 0.06 0.00 0.00 0.00 0.00 51.96 50.97 1sj5 s ALA 4 Cb -0.26 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1sj5 s ALA 4 CO 0.33 0.10 0.20 -2.67 0.00 0.00 0.00 175.76 173.72 1sj5 n TRP 5 N -0.07 -0.20 -3.31 0.00 2.14 -0.74 -3.85 117.44 111.41 1sj5 n TRP 5 Ca -0.10 -2.76 -0.45 0.00 2.07 0.00 0.00 57.50 56.25 1sj5 n TRP 5 Cb 0.59 0.10 -0.06 0.00 -0.81 0.00 0.00 31.31 31.14 1sj5 n TRP 5 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1sj5 s VAL 6 N -3.23 5.16 0.04 -1.67 1.01 -1.26 -1.57 120.40 118.88 1sj5 s VAL 6 Ca 0.28 -1.23 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 1sj5 s VAL 6 Cb 0.01 -4.28 -0.15 0.00 0.00 0.00 0.00 36.38 31.97 1sj5 s VAL 6 CO 0.20 -0.79 1.40 0.50 0.00 0.00 0.00 175.10 176.42 1sj5 h LYS 7 N 8.88 0.23 -1.67 2.72 3.64 -1.37 -3.47 116.57 125.52 1sj5 h LYS 7 Ca -0.29 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.03 1sj5 h LYS 7 Cb 1.10 -0.01 -0.23 0.00 -0.41 0.00 0.00 32.23 32.68 1sj5 h LYS 7 CO 0.98 0.56 0.43 -0.08 -2.27 0.00 0.00 179.45 179.07 1sj5 s THR 8 N -4.65 0.00 -0.32 1.00 -1.32 -1.21 -5.04 115.64 104.10 1sj5 s THR 8 Ca -0.14 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.36 1sj5 s THR 8 Cb 0.05 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.13 1sj5 s THR 8 CO 0.72 0.00 0.06 -0.22 -2.21 0.00 0.00 174.62 172.97 1sj5 s LEU 9 N -0.56 3.77 0.34 9.08 2.96 -1.26 -1.87 118.68 131.14 1sj5 s LEU 9 Ca -0.01 -1.92 0.07 0.00 -0.22 0.00 0.00 54.13 52.04 1sj5 s LEU 9 Cb -0.02 -1.34 -0.01 0.00 0.50 0.00 0.00 46.19 45.31 1sj5 s LEU 9 CO 0.00 -0.38 0.44 0.00 -1.32 0.00 0.00 176.35 175.09 1sj5 s ALA 10 N 1.17 4.17 -0.24 5.97 0.00 -0.97 -4.91 121.76 126.95 1sj5 s ALA 10 Ca 0.09 -1.53 -0.15 0.00 0.00 0.00 0.00 51.96 50.37 1sj5 s ALA 10 Cb -0.18 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1sj5 s ALA 10 CO -0.14 -0.05 0.39 -0.51 0.00 0.00 0.00 175.76 175.45 1sj5 s LEU 11 N -4.15 4.09 0.21 0.00 1.43 -1.26 -0.93 118.68 118.07 1sj5 s LEU 11 Ca 0.45 0.39 -0.32 0.00 -1.03 0.00 0.00 54.13 53.61 1sj5 s LEU 11 Cb -0.09 -2.47 -0.13 0.00 0.03 0.00 0.00 46.19 43.54 1sj5 s LEU 11 CO 0.30 -0.14 1.63 -0.67 0.23 0.00 0.00 176.35 177.70 1sj5 n ASP 12 N 4.99 3.59 0.00 2.29 -0.08 -0.57 -4.88 116.55 121.89 1sj5 n ASP 12 Ca -0.08 1.09 0.11 0.00 -1.51 0.00 0.00 54.79 54.39 1sj5 n ASP 12 Cb 0.51 -1.52 0.58 0.00 2.34 0.00 0.00 41.12 43.03 1sj5 n ASP 12 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1sj5 n ARG 13 N 3.34 0.48 0.00 -0.67 1.74 -1.26 -1.99 116.66 118.30 1sj5 n ARG 13 Ca 0.15 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1sj5 n ARG 13 Cb 0.33 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1sj5 n ARG 13 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1sj5 n VAL 14 N -1.15 0.00 -0.59 1.55 0.31 -1.26 -4.84 118.33 112.35 1sj5 n VAL 14 Ca 0.13 0.00 0.44 0.00 -0.01 0.00 0.00 64.34 64.90 1sj5 n VAL 14 Cb 0.12 -0.17 0.69 0.00 -0.91 0.00 0.00 33.84 33.57 1sj5 n VAL 14 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1sj5 n SER 15 N -0.21 0.01 -2.63 4.52 3.41 -1.26 -4.73 113.62 112.72 1sj5 n SER 15 Ca 0.00 0.86 -0.16 0.00 -0.26 0.00 0.00 58.87 59.31 1sj5 n SER 15 Cb 0.00 -0.43 0.06 0.00 -0.26 0.00 0.00 64.21 63.58 1sj5 n SER 15 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1sj5 n ASN 16 N -3.66 -4.53 -4.48 4.04 5.15 -0.84 -5.03 115.26 105.92 1sj5 n ASN 16 Ca 0.37 -0.38 -0.24 0.00 -0.60 0.00 0.00 54.58 53.73 1sj5 n ASN 16 Cb 1.68 -3.62 -0.10 0.00 -0.53 0.00 0.00 39.78 37.20 1sj5 n ASN 16 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1sj5 s THR 17 N -3.22 2.36 0.52 -0.44 -4.23 -1.26 -4.87 115.64 104.50 1sj5 s THR 17 Ca 0.34 -2.34 -0.22 0.00 -1.18 0.00 0.00 61.69 58.28 1sj5 s THR 17 Cb -0.15 -2.37 -0.06 0.00 1.34 0.00 0.00 72.50 71.27 1sj5 s THR 17 CO 0.50 -0.36 1.30 -2.84 -0.54 0.00 0.00 174.62 172.68 1sj5 s PRO 18 N -3.55 3.33 0.03 3.99 0.02 -1.26 -1.51 135.00 136.05 1sj5 s PRO 18 Ca 0.30 2.10 0.02 0.00 0.02 0.00 0.00 61.00 63.44 1sj5 s PRO 18 Cb -0.03 -2.30 -0.02 0.00 0.02 0.00 0.00 34.50 32.17 1sj5 s PRO 18 CO 0.15 -1.00 -0.06 0.54 -0.33 0.00 0.00 177.00 176.30 1sj5 s VAL 19 N -1.37 0.41 -0.14 3.83 0.11 -0.10 -2.29 120.40 120.85 1sj5 s VAL 19 Ca 0.69 -0.85 0.02 0.00 -2.93 0.00 0.00 61.98 58.91 1sj5 s VAL 19 Cb -0.37 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.01 1sj5 s VAL 19 CO 0.44 -0.30 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.03 1sj5 s VAL 20 N -1.11 2.33 -0.44 2.04 1.01 0.03 -2.30 120.40 121.97 1sj5 s VAL 20 Ca -0.08 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 60.84 1sj5 s VAL 20 Cb -0.08 -1.95 0.05 0.00 0.00 0.00 0.00 36.38 34.40 1sj5 s VAL 20 CO 0.00 0.54 0.37 -0.63 0.00 0.00 0.00 175.10 175.37 1sj5 s ILE 21 N 0.71 5.22 -0.31 2.22 -1.09 -0.78 0.29 121.20 127.47 1sj5 s ILE 21 Ca -0.09 -0.82 -0.19 0.00 -2.23 0.00 0.00 60.65 57.32 1sj5 s ILE 21 Cb -0.16 -4.04 -0.01 0.00 -1.58 0.00 0.00 42.46 36.67 1sj5 s ILE 21 CO 0.01 -0.46 0.58 -0.76 -1.23 0.00 0.00 174.94 173.07 1sj5 s LEU 22 N 1.73 4.16 0.35 2.97 1.43 -0.01 -0.90 118.68 128.41 1sj5 s LEU 22 Ca 0.05 0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 53.25 1sj5 s LEU 22 Cb -0.21 -2.73 -0.09 0.00 0.03 0.00 0.00 46.19 43.18 1sj5 s LEU 22 CO 0.09 -0.44 1.01 -0.83 0.23 0.00 0.00 176.35 176.41 1sj5 s GLY 23 N 1.65 2.80 -0.75 -3.19 0.00 -0.61 -0.08 107.32 107.14 1sj5 s GLY 23 Ca 0.23 0.64 -0.05 0.00 0.00 0.00 0.00 44.72 45.54 1sj5 s GLY 23 CO 0.12 1.09 0.61 -0.42 0.00 0.00 0.00 173.10 174.49 1sj5 s ILE 24 N -1.59 4.28 0.06 0.90 -1.09 -0.69 -1.80 121.20 121.26 1sj5 s ILE 24 Ca 0.53 -3.13 -0.17 0.00 -2.23 0.00 0.00 60.65 55.65 1sj5 s ILE 24 Cb -0.21 -3.71 -0.09 0.00 -1.58 0.00 0.00 42.46 36.86 1sj5 s ILE 24 CO 0.27 -0.97 0.38 -0.62 -1.23 0.00 0.00 174.94 172.78 1sj5 n GLU 25 N 3.24 0.00 -0.27 2.79 4.71 -0.34 -1.91 120.64 128.86 1sj5 n GLU 25 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 1sj5 n GLU 25 Cb 0.39 -0.62 0.00 0.00 -1.01 0.00 0.00 31.44 30.20 1sj5 n GLU 25 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sj5 n GLY 26 N 0.90 1.36 3.19 0.62 0.00 -1.26 -4.71 105.19 105.30 1sj5 n GLY 26 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 1sj5 n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sj5 s THR 27 N -2.87 0.40 -0.50 2.61 -4.23 -0.80 -5.04 115.64 105.21 1sj5 s THR 27 Ca 0.00 -1.94 0.07 0.00 -1.18 0.00 0.00 61.69 58.64 1sj5 s THR 27 Cb 0.00 -2.06 0.46 0.00 1.34 0.00 0.00 72.50 72.24 1sj5 s THR 27 CO 0.00 -0.49 1.29 0.59 -0.54 0.00 0.00 174.62 175.47 1sj5 n ASN 28 N -0.16 3.70 -4.88 3.99 3.02 -1.26 -4.64 115.26 115.03 1sj5 n ASN 28 Ca -0.06 -2.63 -0.33 0.00 -0.03 0.00 0.00 54.58 51.53 1sj5 n ASN 28 Cb 0.63 -0.63 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 1sj5 n ASN 28 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1sj5 s ARG 29 N -2.01 3.36 0.05 3.52 0.52 -1.26 -2.51 118.95 120.62 1sj5 s ARG 29 Ca 0.32 -0.36 0.03 0.00 -0.52 0.00 0.00 55.73 55.21 1sj5 s ARG 29 Cb 0.25 -3.05 -0.02 0.00 0.52 0.00 0.00 34.95 32.65 1sj5 s ARG 29 CO 0.09 0.67 -0.11 0.14 0.02 0.00 0.00 175.30 176.11 1sj5 s VAL 30 N -1.30 0.79 -0.19 3.52 -7.23 -0.15 -1.71 120.40 114.14 1sj5 s VAL 30 Ca 0.26 -1.10 0.01 0.00 -1.81 0.00 0.00 61.98 59.34 1sj5 s VAL 30 Cb -0.12 -0.80 0.03 0.00 0.56 0.00 0.00 36.38 36.05 1sj5 s VAL 30 CO 0.18 -0.26 -0.13 -0.22 -0.31 0.00 0.00 175.10 174.35 1sj5 s LEU 31 N -1.51 2.21 0.02 1.32 2.96 0.89 -1.36 118.68 123.20 1sj5 s LEU 31 Ca -0.05 -0.79 -0.23 0.00 -0.22 0.00 0.00 54.13 52.84 1sj5 s LEU 31 Cb -0.09 -1.30 -0.05 0.00 0.50 0.00 0.00 46.19 45.24 1sj5 s LEU 31 CO 0.01 -0.10 0.68 -2.16 -1.32 0.00 0.00 176.35 173.46 1sj5 s PRO 32 N 1.37 4.41 -0.09 0.98 0.04 -1.25 -0.83 135.00 139.63 1sj5 s PRO 32 Ca 0.01 0.90 0.01 0.00 0.04 0.00 0.00 61.00 61.96 1sj5 s PRO 32 Cb -0.15 -3.35 0.02 0.00 0.04 0.00 0.00 34.50 31.06 1sj5 s PRO 32 CO -0.10 0.33 -0.11 0.42 0.04 0.00 0.00 177.00 177.58 1sj5 s ILE 33 N -0.14 1.14 -0.32 0.56 1.01 0.14 -4.92 121.20 118.68 1sj5 s ILE 33 Ca 0.35 -0.44 -0.20 0.00 0.00 0.00 0.00 60.65 60.36 1sj5 s ILE 33 Cb -0.19 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.19 1sj5 s ILE 33 CO 0.20 0.37 0.63 0.26 0.00 0.00 0.00 174.94 176.40 1sj5 s TRP 34 N 1.06 3.20 0.47 3.97 0.51 -1.26 -0.79 118.94 126.10 1sj5 s TRP 34 Ca -0.07 0.54 0.06 0.00 -2.12 0.00 0.00 56.10 54.51 1sj5 s TRP 34 Cb -0.15 -3.02 -0.01 0.00 -0.81 0.00 0.00 33.47 29.48 1sj5 s TRP 34 CO -0.01 -0.51 0.31 0.96 -0.51 0.00 0.00 176.95 177.19 1sj5 s ILE 35 N 2.63 2.12 0.76 2.03 -4.36 -0.97 -5.02 121.20 118.38 1sj5 s ILE 35 Ca 0.25 -1.54 -0.11 0.00 -0.26 0.00 0.00 60.65 58.99 1sj5 s ILE 35 Cb -0.15 -2.66 0.05 0.00 1.25 0.00 0.00 42.46 40.95 1sj5 s ILE 35 CO 0.12 0.00 1.10 -0.83 0.24 0.00 0.00 174.94 175.57 1sj5 s GLY 36 N -4.10 1.63 0.19 6.27 0.00 -1.26 -4.05 107.32 106.00 1sj5 s GLY 36 Ca 0.39 -0.24 -0.12 0.00 0.00 0.00 0.00 44.72 44.75 1sj5 s GLY 36 CO 0.23 0.16 1.84 0.00 0.00 0.00 0.00 173.10 175.32 1sj5 h ALA 37 N -0.91 0.81 -0.33 3.20 0.00 -1.97 -2.05 119.26 118.01 1sj5 h ALA 37 Ca -0.46 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 1sj5 h ALA 37 Cb 1.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1sj5 h ALA 37 CO 0.61 0.14 -0.25 0.00 0.00 0.00 0.00 179.25 179.75 1sj5 h ALA 38 N 1.27 0.95 -0.33 0.00 0.00 -2.00 -2.31 119.26 116.84 1sj5 h ALA 38 Ca 0.25 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1sj5 h ALA 38 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1sj5 h ALA 38 CO -0.10 0.61 -0.36 0.93 0.00 0.00 0.00 179.25 180.33 1sj5 h GLU 39 N 0.57 0.77 0.02 0.00 3.07 -1.91 -1.69 114.58 115.41 1sj5 h GLU 39 Ca 0.08 -0.38 0.02 0.00 -0.50 0.00 0.00 59.36 58.58 1sj5 h GLU 39 Cb 0.73 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.58 1sj5 h GLU 39 CO 0.06 1.00 -0.52 0.78 -1.40 0.00 0.00 179.01 178.92 1sj5 h GLY 40 N 0.93 -1.09 0.77 -3.84 0.00 -1.15 -0.24 103.07 98.45 1sj5 h GLY 40 Ca 0.06 0.64 0.03 0.00 0.00 0.00 0.00 47.33 48.06 1sj5 h GLY 40 CO 0.08 -0.24 0.04 0.84 0.00 0.00 0.00 176.54 177.26 1sj5 h HIS 41 N -0.68 0.07 -1.04 5.60 -0.00 -1.27 0.64 115.15 118.47 1sj5 h HIS 41 Ca 0.01 0.01 0.27 0.00 -0.00 0.00 0.00 60.37 60.67 1sj5 h HIS 41 Cb 0.73 -0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 28.03 1sj5 h HIS 41 CO -0.50 0.02 0.66 0.00 -0.00 0.00 0.00 177.93 178.11 1sj5 h ALA 42 N 1.15 2.13 0.02 5.26 0.00 -1.21 -2.15 119.26 124.46 1sj5 h ALA 42 Ca 0.09 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1sj5 h ALA 42 Cb 0.09 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1sj5 h ALA 42 CO -0.12 -0.58 -0.29 1.25 0.00 0.00 0.00 179.25 179.51 1sj5 h LEU 43 N 0.43 0.23 -1.56 0.00 5.85 0.41 -2.73 115.31 117.93 1sj5 h LEU 43 Ca 0.62 -0.83 0.27 0.00 0.84 0.00 0.00 57.88 58.78 1sj5 h LEU 43 Cb 1.49 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.38 1sj5 h LEU 43 CO -0.36 1.03 0.69 0.00 -0.34 0.00 0.00 178.44 179.46 1sj5 h ALA 44 N 0.20 2.44 -0.08 1.25 0.00 -0.74 0.12 119.26 122.46 1sj5 h ALA 44 Ca -0.04 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1sj5 h ALA 44 Cb 1.09 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1sj5 h ALA 44 CO 0.06 -0.80 -0.81 -0.07 0.00 0.00 0.00 179.25 177.63 1sj5 h LEU 45 N 0.29 0.65 -0.33 0.00 3.38 -1.37 -1.61 115.31 116.31 1sj5 h LEU 45 Ca 0.55 -0.45 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 1sj5 h LEU 45 Cb 1.60 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 1sj5 h LEU 45 CO -0.20 1.22 -0.33 0.00 0.09 0.00 0.00 178.44 179.22 1sj5 h ALA 46 N 0.76 0.49 -0.24 1.53 0.00 -0.91 -2.63 119.26 118.25 1sj5 h ALA 46 Ca -0.05 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1sj5 h ALA 46 Cb 1.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1sj5 h ALA 46 CO 0.15 0.55 0.12 0.52 0.00 0.00 0.00 179.25 180.59 1sj5 h MET 47 N 0.59 0.35 0.00 0.00 2.86 -0.84 -1.04 114.93 116.85 1sj5 h MET 47 Ca 0.05 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1sj5 h MET 47 Cb 0.91 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1sj5 h MET 47 CO 0.08 0.34 0.00 0.39 1.06 0.00 0.00 176.91 178.79 1sj5 n GLU 48 N -4.83 0.11 -3.53 1.72 1.02 -0.61 -4.87 120.64 109.66 1sj5 n GLU 48 Ca -0.03 0.20 -0.19 0.00 -0.02 0.00 0.00 57.16 57.12 1sj5 n GLU 48 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1sj5 n GLU 48 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1sj5 n LYS 49 N -1.26 -1.57 -3.82 3.49 5.02 -0.40 -4.88 118.16 114.74 1sj5 n LYS 49 Ca 0.04 1.08 -0.36 0.00 -2.02 0.00 0.00 58.31 57.05 1sj5 n LYS 49 Cb 0.06 -3.32 -0.13 0.00 -0.02 0.00 0.00 35.03 31.61 1sj5 n LYS 49 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1sj5 s MET 50 N -4.07 3.42 -0.21 1.97 1.75 -1.10 -5.06 119.30 115.99 1sj5 s MET 50 Ca 0.05 -0.62 -0.29 0.00 -1.25 0.00 0.00 55.69 53.58 1sj5 s MET 50 Cb -0.01 -3.19 0.01 0.00 2.84 0.00 0.00 34.83 34.48 1sj5 s MET 50 CO 0.85 -0.24 1.04 -1.83 -0.65 0.00 0.00 175.02 174.19 1sj5 s GLU 51 N 1.53 4.28 0.07 4.11 1.03 -1.26 -4.97 118.70 123.49 1sj5 s GLU 51 Ca 0.05 1.37 0.09 0.00 0.03 0.00 0.00 54.97 56.52 1sj5 s GLU 51 Cb -0.15 -3.63 -0.03 0.00 -0.80 0.00 0.00 34.13 29.51 1sj5 s GLU 51 CO 0.00 -0.60 -0.26 -0.06 -1.33 0.00 0.00 175.26 173.02 1sj5 s PHE 52 N 3.09 2.23 -2.06 4.83 0.08 -1.26 -5.02 117.98 119.86 1sj5 s PHE 52 Ca 0.45 -0.40 0.25 0.00 0.12 0.00 0.00 56.93 57.35 1sj5 s PHE 52 Cb -0.16 -1.30 1.42 0.00 -0.57 0.00 0.00 43.02 42.42 1sj5 s PHE 52 CO 0.08 0.18 1.93 -0.35 -0.10 0.00 0.00 175.22 176.95 1sj5 n PRO 53 N 1.55 1.11 -3.81 0.24 -0.04 -1.26 -4.68 135.00 128.10 1sj5 n PRO 53 Ca -0.17 -0.16 -0.13 0.00 -0.04 0.00 0.00 63.50 63.00 1sj5 n PRO 53 Cb 0.52 -1.40 -0.15 0.00 -0.04 0.00 0.00 33.50 32.43 1sj5 n PRO 53 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1sj5 s ARG 54 N -1.98 0.01 -0.10 0.54 1.81 -1.26 -5.13 118.95 112.83 1sj5 s ARG 54 Ca 0.38 0.13 -0.29 0.00 -1.72 0.00 0.00 55.73 54.22 1sj5 s ARG 54 Cb 0.18 -0.11 -0.05 0.00 -0.45 0.00 0.00 34.95 34.52 1sj5 s ARG 54 CO 0.29 -0.08 1.74 -1.25 -0.68 0.00 0.00 175.30 175.32 1sj5 s PRO 55 N 0.55 3.97 0.94 3.54 0.04 -1.26 -5.00 135.00 137.78 1sj5 s PRO 55 Ca -0.04 2.09 -0.15 0.00 0.04 0.00 0.00 61.00 62.94 1sj5 s PRO 55 Cb -0.06 -4.06 0.20 0.00 0.04 0.00 0.00 34.50 30.61 1sj5 s PRO 55 CO -0.02 -1.10 1.30 -0.51 0.04 0.00 0.00 177.00 176.70 1sj5 s LEU 56 N 4.82 2.75 0.45 -3.56 1.43 -1.26 -4.67 118.68 118.63 1sj5 s LEU 56 Ca 0.78 0.19 0.11 0.00 -1.03 0.00 0.00 54.13 54.17 1sj5 s LEU 56 Cb -0.32 -2.24 1.02 0.00 0.03 0.00 0.00 46.19 44.67 1sj5 s LEU 56 CO 0.32 -2.67 2.09 0.74 0.23 0.00 0.00 176.35 177.06 1sj5 h THR 57 N -1.55 1.07 0.00 5.49 2.02 -2.00 0.08 112.91 118.02 1sj5 h THR 57 Ca -0.43 -0.13 -0.09 0.00 0.77 0.00 0.00 66.41 66.52 1sj5 h THR 57 Cb 1.23 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1sj5 h THR 57 CO 0.37 0.06 -0.70 0.45 0.37 0.00 0.00 175.52 176.08 1sj5 h HIS 58 N 0.33 0.00 -0.60 3.16 3.86 -1.99 -2.84 115.15 117.07 1sj5 h HIS 58 Ca 0.09 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1sj5 h HIS 58 Cb -0.03 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.41 1sj5 h HIS 58 CO 0.00 0.40 0.23 -0.44 0.86 0.00 0.00 177.93 178.97 1sj5 h ASP 59 N 0.00 0.84 -0.61 2.45 3.32 -1.37 -1.86 116.42 119.19 1sj5 h ASP 59 Ca -0.04 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 56.87 1sj5 h ASP 59 Cb 1.34 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 1sj5 h ASP 59 CO 0.04 0.79 0.35 0.25 -1.72 0.00 0.00 179.24 178.96 1sj5 h LEU 60 N 0.83 0.55 -0.20 1.55 5.85 -1.21 0.59 115.31 123.26 1sj5 h LEU 60 Ca 0.20 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1sj5 h LEU 60 Cb 0.22 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1sj5 h LEU 60 CO -0.01 0.37 0.10 0.25 -0.34 0.00 0.00 178.44 178.81 1sj5 h LEU 61 N 0.68 0.27 -1.39 2.25 6.46 -1.23 -0.25 115.31 122.09 1sj5 h LEU 61 Ca 0.26 -0.11 -0.06 0.00 -0.12 0.00 0.00 57.88 57.84 1sj5 h LEU 61 Cb 0.09 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 1sj5 h LEU 61 CO -0.14 0.31 -0.30 -0.07 -0.62 0.00 0.00 178.44 177.62 1sj5 h LEU 62 N 0.21 0.00 -0.03 2.25 3.38 -1.06 -1.32 115.31 118.74 1sj5 h LEU 62 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1sj5 h LEU 62 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1sj5 h LEU 62 CO -0.01 0.30 0.02 0.28 0.09 0.00 0.00 178.44 179.12 1sj5 h SER 63 N 0.00 0.04 -0.42 -0.43 0.02 0.10 -0.10 113.55 112.76 1sj5 h SER 63 Ca -0.00 -0.11 0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1sj5 h SER 63 Cb 0.58 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.05 1sj5 h SER 63 CO 0.04 0.14 0.09 0.58 -1.14 0.00 0.00 176.83 176.55 1sj5 h VAL 64 N -0.06 0.80 -0.14 2.27 2.07 -0.30 0.52 116.25 121.41 1sj5 h VAL 64 Ca 0.01 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1sj5 h VAL 64 Cb 0.11 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 1sj5 h VAL 64 CO -0.00 0.04 -0.22 -0.07 0.02 0.00 0.00 177.57 177.34 1sj5 h LEU 65 N 0.23 -0.69 0.21 2.57 3.38 -1.20 -1.24 115.31 118.57 1sj5 h LEU 65 Ca 0.20 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.30 1sj5 h LEU 65 Cb 0.24 0.31 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1sj5 h LEU 65 CO -0.25 -0.27 -0.36 -0.08 0.09 0.00 0.00 178.44 177.56 1sj5 h GLU 66 N -0.28 -0.63 -0.50 1.13 4.81 0.03 -1.41 114.58 117.73 1sj5 h GLU 66 Ca 0.10 0.04 0.14 0.00 -0.13 0.00 0.00 59.36 59.52 1sj5 h GLU 66 Cb 0.43 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 1sj5 h GLU 66 CO -0.30 -0.42 0.41 0.77 -0.73 0.00 0.00 179.01 178.74 1sj5 h SER 67 N -0.65 0.00 -0.82 1.04 0.02 0.41 0.57 113.55 114.12 1sj5 h SER 67 Ca 0.01 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.60 1sj5 h SER 67 Cb 0.64 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.97 1sj5 h SER 67 CO -0.16 0.00 0.45 0.18 -1.14 0.00 0.00 176.83 176.16 1sj5 n LEU 68 N -4.13 6.19 -2.75 5.07 4.77 -0.51 -4.95 117.00 120.69 1sj5 n LEU 68 Ca 0.09 -3.27 -0.16 0.00 -0.03 0.00 0.00 56.01 52.65 1sj5 n LEU 68 Cb 0.62 -0.78 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1sj5 n LEU 68 CO 0.34 0.90 -0.13 -0.62 -1.33 0.00 0.00 177.39 176.55 1sj5 n GLU 69 N -0.61 -0.84 -3.89 3.23 1.02 0.20 -4.88 120.64 114.87 1sj5 n GLU 69 Ca 0.48 0.51 -0.08 0.00 -0.02 0.00 0.00 57.16 58.05 1sj5 n GLU 69 Cb 1.47 -1.04 -0.03 0.00 -0.02 0.00 0.00 31.44 31.82 1sj5 n GLU 69 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sj5 s ALA 70 N -1.71 -0.97 -0.09 0.62 0.00 -0.60 -2.78 121.76 116.23 1sj5 s ALA 70 Ca 0.08 -0.46 -0.28 0.00 0.00 0.00 0.00 51.96 51.30 1sj5 s ALA 70 Cb -0.01 0.90 0.06 0.00 0.00 0.00 0.00 23.12 24.07 1sj5 s ALA 70 CO 0.44 -0.99 0.64 -0.98 0.00 0.00 0.00 175.76 174.86 1sj5 s ARG 71 N -3.88 0.96 0.49 0.00 1.70 -0.16 -3.44 118.95 114.63 1sj5 s ARG 71 Ca 0.14 0.35 -0.23 0.00 -0.47 0.00 0.00 55.73 55.52 1sj5 s ARG 71 Cb -0.05 0.45 -0.07 0.00 -0.57 0.00 0.00 34.95 34.71 1sj5 s ARG 71 CO 0.08 -0.26 1.26 0.28 -1.08 0.00 0.00 175.30 175.57 1sj5 n VAL 72 N 1.33 3.16 -0.04 4.99 0.31 -1.26 -0.78 118.33 126.03 1sj5 n VAL 72 Ca -0.18 -0.50 -0.08 0.00 -0.01 0.00 0.00 64.34 63.57 1sj5 n VAL 72 Cb 0.57 -1.54 -0.03 0.00 -0.91 0.00 0.00 33.84 31.92 1sj5 n VAL 72 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1sj5 n ASP 73 N -0.35 1.49 -3.63 4.52 -0.08 -0.18 -4.74 116.55 113.57 1sj5 n ASP 73 Ca 0.09 0.06 -0.01 0.00 -1.51 0.00 0.00 54.79 53.41 1sj5 n ASP 73 Cb 0.42 -0.21 -0.01 0.00 2.34 0.00 0.00 41.12 43.67 1sj5 n ASP 73 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1sj5 s LYS 74 N -2.15 0.57 -0.11 -0.67 -2.85 -1.19 -4.23 119.74 109.10 1sj5 s LYS 74 Ca -0.11 -0.29 -0.05 0.00 -1.00 0.00 0.00 55.97 54.52 1sj5 s LYS 74 Cb 0.04 0.21 0.06 0.00 -2.06 0.00 0.00 37.83 36.07 1sj5 s LYS 74 CO 0.16 -0.26 0.24 0.08 0.10 0.00 0.00 175.35 175.67 1sj5 s VAL 75 N -2.64 -0.25 -0.16 1.79 1.01 -1.02 -2.27 120.40 116.85 1sj5 s VAL 75 Ca 0.12 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.35 1sj5 s VAL 75 Cb 0.02 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 36.02 1sj5 s VAL 75 CO -0.03 0.10 -0.20 -0.63 0.00 0.00 0.00 175.10 174.34 1sj5 s ILE 76 N 1.93 1.99 -0.26 2.22 1.01 -0.77 -0.65 121.20 126.68 1sj5 s ILE 76 Ca -0.03 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.56 1sj5 s ILE 76 Cb -0.11 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1sj5 s ILE 76 CO -0.08 0.53 0.39 -0.63 0.00 0.00 0.00 174.94 175.15 1sj5 s ILE 77 N 1.17 5.17 0.00 2.92 1.09 -0.67 -0.67 121.20 130.20 1sj5 s ILE 77 Ca 0.01 0.63 0.00 0.00 -1.10 0.00 0.00 60.65 60.20 1sj5 s ILE 77 Cb -0.14 -3.72 0.00 0.00 -1.06 0.00 0.00 42.46 37.54 1sj5 s ILE 77 CO -0.09 0.17 0.00 0.00 -0.10 0.00 0.00 174.94 174.91 1sj5 n HIS 78 N 5.18 0.00 -3.78 3.97 1.44 -0.46 -1.34 115.22 120.24 1sj5 n HIS 78 Ca -0.08 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.51 1sj5 n HIS 78 Cb 0.51 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.53 1sj5 n HIS 78 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1sj5 s SER 79 N -1.27 -0.13 -0.23 4.39 0.01 -1.15 -4.73 113.70 110.59 1sj5 s SER 79 Ca 0.00 -0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.20 1sj5 s SER 79 Cb 0.00 0.31 0.05 0.00 0.21 0.00 0.00 66.02 66.59 1sj5 s SER 79 CO 0.00 -0.51 -0.13 -0.22 0.41 0.00 0.00 173.24 172.80 1sj5 s LEU 80 N -1.65 2.87 -0.24 2.44 2.96 -1.26 -1.19 118.68 122.61 1sj5 s LEU 80 Ca -0.10 -1.11 -0.02 0.00 -0.22 0.00 0.00 54.13 52.68 1sj5 s LEU 80 Cb -0.04 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.22 1sj5 s LEU 80 CO 0.01 -0.14 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.08 1sj5 s LYS 81 N 1.22 2.88 -0.74 1.98 2.47 -0.47 -4.87 119.74 122.21 1sj5 s LYS 81 Ca -0.04 -0.94 -0.06 0.00 -1.56 0.00 0.00 55.97 53.37 1sj5 s LYS 81 Cb -0.18 -2.96 0.01 0.00 -1.46 0.00 0.00 37.83 33.24 1sj5 s LYS 81 CO -0.08 -0.37 0.63 -0.25 0.16 0.00 0.00 175.35 175.45 1sj5 n ASP 82 N 4.67 -5.80 -0.93 1.43 8.00 -1.26 -1.77 116.55 120.89 1sj5 n ASP 82 Ca -0.17 -0.57 -0.12 0.00 0.71 0.00 0.00 54.79 54.65 1sj5 n ASP 82 Cb 0.47 -2.74 -0.05 0.00 -0.02 0.00 0.00 41.12 38.79 1sj5 n ASP 82 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1sj5 n ASN 83 N -1.98 -5.39 -4.25 -2.24 3.02 -1.26 -4.98 115.26 98.18 1sj5 n ASN 83 Ca -0.19 0.29 -0.27 0.00 -0.03 0.00 0.00 54.58 54.38 1sj5 n ASN 83 Cb 0.64 -4.10 -0.15 0.00 -0.61 0.00 0.00 39.78 35.56 1sj5 n ASN 83 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1sj5 s THR 84 N -1.97 1.72 -0.20 3.41 2.01 -0.73 -5.06 115.64 114.82 1sj5 s THR 84 Ca 0.00 -1.07 -0.03 0.00 0.31 0.00 0.00 61.69 60.90 1sj5 s THR 84 Cb 0.00 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 1sj5 s THR 84 CO 0.00 0.36 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.87 1sj5 s PHE 85 N -0.65 2.94 -0.24 4.92 0.08 -1.26 -1.37 117.98 122.41 1sj5 s PHE 85 Ca 0.08 -0.83 -0.10 0.00 0.12 0.00 0.00 56.93 56.20 1sj5 s PHE 85 Cb -0.09 -2.05 -0.05 0.00 -0.57 0.00 0.00 43.02 40.26 1sj5 s PHE 85 CO 0.00 -0.45 0.15 0.71 -0.10 0.00 0.00 175.22 175.54 1sj5 s TYR 86 N 1.21 3.31 0.28 0.36 1.51 -0.33 -4.27 117.35 119.42 1sj5 s TYR 86 Ca 0.02 0.21 0.11 0.00 -1.01 0.00 0.00 57.07 56.40 1sj5 s TYR 86 Cb -0.14 -2.26 -0.05 0.00 -0.11 0.00 0.00 41.96 39.40 1sj5 s TYR 86 CO -0.01 0.06 -0.11 0.00 -1.11 0.00 0.00 175.55 174.38 1sj5 s ALA 87 N 1.04 2.94 -0.17 3.71 0.00 -0.94 -1.36 121.76 126.98 1sj5 s ALA 87 Ca 0.07 -1.78 -0.00 0.00 0.00 0.00 0.00 51.96 50.25 1sj5 s ALA 87 Cb -0.13 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.50 1sj5 s ALA 87 CO 0.04 0.27 -0.14 0.99 0.00 0.00 0.00 175.76 176.92 1sj5 s THR 88 N -2.43 2.67 -0.32 0.00 2.01 0.15 -0.86 115.64 116.86 1sj5 s THR 88 Ca 0.31 -0.75 -0.14 0.00 0.31 0.00 0.00 61.69 61.41 1sj5 s THR 88 Cb -0.05 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 1sj5 s THR 88 CO 0.17 0.50 0.31 -0.22 -0.69 0.00 0.00 174.62 174.69 1sj5 s LEU 89 N 1.04 4.32 -0.40 4.42 2.96 0.25 -1.84 118.68 129.44 1sj5 s LEU 89 Ca -0.01 -0.16 -0.15 0.00 -0.22 0.00 0.00 54.13 53.59 1sj5 s LEU 89 Cb -0.15 -2.27 0.01 0.00 0.50 0.00 0.00 46.19 44.28 1sj5 s LEU 89 CO -0.04 -0.24 0.34 -0.69 -1.32 0.00 0.00 176.35 174.40 1sj5 s VAL 90 N 1.92 5.20 0.30 1.68 1.01 -0.96 -0.32 120.40 129.24 1sj5 s VAL 90 Ca 0.10 -0.46 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 1sj5 s VAL 90 Cb -0.17 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 1sj5 s VAL 90 CO 0.11 -0.29 0.83 -0.63 0.00 0.00 0.00 175.10 175.12 1sj5 s ILE 91 N 1.85 4.45 -0.04 2.22 -1.09 0.03 -1.01 121.20 127.61 1sj5 s ILE 91 Ca 0.08 1.42 0.07 0.00 -2.23 0.00 0.00 60.65 59.99 1sj5 s ILE 91 Cb -0.18 -3.82 -0.01 0.00 -1.58 0.00 0.00 42.46 36.87 1sj5 s ILE 91 CO 0.11 0.03 -0.24 -0.60 -1.23 0.00 0.00 174.94 173.02 1sj5 s ARG 92 N -2.37 2.16 -0.87 2.79 3.52 0.04 -0.98 118.95 123.24 1sj5 s ARG 92 Ca 0.50 -0.85 -0.15 0.00 -0.13 0.00 0.00 55.73 55.10 1sj5 s ARG 92 Cb -0.15 -1.96 0.20 0.00 -1.56 0.00 0.00 34.95 31.48 1sj5 s ARG 92 CO 0.20 0.44 0.87 0.34 -0.81 0.00 0.00 175.30 176.34 1sj5 s ASP 93 N -0.35 6.77 0.56 -2.12 2.15 -1.20 -0.99 116.67 121.49 1sj5 s ASP 93 Ca 0.03 -2.61 0.48 0.00 0.43 0.00 0.00 52.55 50.88 1sj5 s ASP 93 Cb -0.11 -2.25 1.69 0.00 -0.30 0.00 0.00 42.92 41.94 1sj5 s ASP 93 CO 0.01 -0.66 1.59 -0.07 -0.17 0.00 0.00 175.17 175.87 1sj5 h LEU 94 N 8.30 0.00 -2.17 -1.34 3.38 -1.86 -3.48 115.31 118.13 1sj5 h LEU 94 Ca 0.13 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1sj5 h LEU 94 Cb 1.03 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1sj5 h LEU 94 CO 0.85 0.00 0.09 0.35 0.09 0.00 0.00 178.44 179.81 1sj5 n THR 95 N -3.93 1.24 -0.82 0.22 -2.24 -1.24 -5.03 114.28 102.49 1sj5 n THR 95 Ca 0.42 -0.52 -0.07 0.00 -2.27 0.00 0.00 64.05 61.60 1sj5 n THR 95 Cb 1.92 -0.60 -0.07 0.00 -2.10 0.00 0.00 70.33 69.48 1sj5 n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sj5 n ALA 104 N 0.10 0.53 -1.24 6.98 0.00 -1.26 -5.22 120.51 120.40 1sj5 n ALA 104 Ca 0.13 -0.61 -0.29 0.00 0.00 0.00 0.00 53.44 52.68 1sj5 n ALA 104 Cb 0.69 -0.91 0.13 0.00 0.00 0.00 0.00 19.45 19.36 1sj5 n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sj5 n ALA 105 N 3.29 5.91 -2.55 0.00 0.00 -1.26 -5.02 120.51 120.88 1sj5 n ALA 105 Ca 0.21 -3.11 -0.32 0.00 0.00 0.00 0.00 53.44 50.22 1sj5 n ALA 105 Cb 0.22 -1.60 -0.05 0.00 0.00 0.00 0.00 19.45 18.02 1sj5 n ALA 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sj5 s LEU 106 N -3.48 4.22 -0.11 0.00 1.43 -1.26 -3.24 118.68 116.24 1sj5 s LEU 106 Ca 0.59 0.75 0.03 0.00 -1.03 0.00 0.00 54.13 54.47 1sj5 s LEU 106 Cb 0.48 -3.49 0.01 0.00 0.03 0.00 0.00 46.19 43.22 1sj5 s LEU 106 CO 0.05 -0.01 -0.19 -0.63 0.23 0.00 0.00 176.35 175.80 1sj5 s ILE 107 N -1.74 1.71 -0.34 -0.59 1.09 -0.15 -5.00 121.20 116.19 1sj5 s ILE 107 Ca 0.44 -0.79 -0.25 0.00 -1.10 0.00 0.00 60.65 58.95 1sj5 s ILE 107 Cb -0.12 -1.53 0.01 0.00 -1.06 0.00 0.00 42.46 39.77 1sj5 s ILE 107 CO 0.23 0.48 0.87 -1.81 -0.10 0.00 0.00 174.94 174.62 1sj5 s ASP 108 N 0.72 6.69 -0.12 3.58 1.01 -1.26 -0.79 116.67 126.49 1sj5 s ASP 108 Ca -0.11 0.64 -0.02 0.00 0.71 0.00 0.00 52.55 53.77 1sj5 s ASP 108 Cb -0.16 -2.44 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1sj5 s ASP 108 CO 0.02 -0.75 -0.06 -0.63 0.21 0.00 0.00 175.17 173.96 1sj5 s ILE 109 N 3.25 3.69 0.41 0.77 1.01 0.57 -4.97 121.20 125.93 1sj5 s ILE 109 Ca 0.36 -0.45 -0.25 0.00 0.00 0.00 0.00 60.65 60.32 1sj5 s ILE 109 Cb -0.13 -2.57 -0.08 0.00 0.01 0.00 0.00 42.46 39.69 1sj5 s ILE 109 CO 0.16 0.54 1.13 -0.62 0.00 0.00 0.00 174.94 176.14 1sj5 s ASP 110 N -0.05 6.54 0.06 3.58 2.15 -1.26 0.86 116.67 128.55 1sj5 s ASP 110 Ca 0.00 2.25 -0.19 0.00 0.43 0.00 0.00 52.55 55.04 1sj5 s ASP 110 Cb -0.13 -2.60 0.04 0.00 -0.30 0.00 0.00 42.92 39.92 1sj5 s ASP 110 CO 0.03 -0.65 0.45 -0.55 -0.17 0.00 0.00 175.17 174.28 1sj5 s SER 111 N -1.29 -0.34 0.68 -0.34 0.15 -0.04 -4.74 113.70 107.77 1sj5 s SER 111 Ca 0.58 -0.00 -0.14 0.00 0.70 0.00 0.00 55.95 57.09 1sj5 s SER 111 Cb -0.28 0.46 0.01 0.00 -1.71 0.00 0.00 66.02 64.50 1sj5 s SER 111 CO 0.35 -0.73 1.09 -0.13 1.20 0.00 0.00 173.24 175.02 1sj5 s ARG 112 N -2.75 2.78 0.24 5.44 0.52 -1.26 -2.21 118.95 121.71 1sj5 s ARG 112 Ca -0.04 1.27 -0.02 0.00 -0.52 0.00 0.00 55.73 56.43 1sj5 s ARG 112 Cb -0.00 -1.96 0.27 0.00 0.52 0.00 0.00 34.95 33.78 1sj5 s ARG 112 CO -0.04 -1.25 1.66 -1.35 0.02 0.00 0.00 175.30 174.35 1sj5 h PRO 113 N -0.22 0.65 -0.76 3.54 0.11 -1.91 -1.83 132.00 131.58 1sj5 h PRO 113 Ca -0.46 -0.26 -0.02 0.00 0.11 0.00 0.00 66.00 65.37 1sj5 h PRO 113 Cb 1.23 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1sj5 h PRO 113 CO 0.54 0.83 0.39 0.66 -0.21 0.00 0.00 178.00 180.21 1sj5 h SER 114 N 0.57 0.96 0.26 -2.05 4.64 -1.94 0.38 113.55 116.38 1sj5 h SER 114 Ca 0.08 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1sj5 h SER 114 Cb 0.71 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1sj5 h SER 114 CO 0.05 0.80 -0.13 0.44 -0.87 0.00 0.00 176.83 177.13 1sj5 h ASP 115 N 1.07 -0.30 -0.88 4.97 3.32 -1.83 -1.32 116.42 121.45 1sj5 h ASP 115 Ca 0.27 -0.18 0.19 0.00 0.02 0.00 0.00 57.03 57.33 1sj5 h ASP 115 Cb 0.07 0.08 -0.11 0.00 0.22 0.00 0.00 39.33 39.59 1sj5 h ASP 115 CO -0.04 0.19 0.40 0.00 -1.72 0.00 0.00 179.24 178.08 1sj5 h ALA 116 N -0.67 1.37 -0.45 3.45 0.00 -1.15 0.21 119.26 122.02 1sj5 h ALA 116 Ca -0.04 0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1sj5 h ALA 116 Cb 0.46 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1sj5 h ALA 116 CO 0.06 -0.26 -0.27 0.82 0.00 0.00 0.00 179.25 179.60 1sj5 h ILE 117 N 0.47 1.27 0.24 0.00 2.04 -0.18 -2.23 117.51 119.12 1sj5 h ILE 117 Ca 0.52 -1.44 0.01 0.00 1.00 0.00 0.00 64.86 64.96 1sj5 h ILE 117 Cb 0.92 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 1sj5 h ILE 117 CO -0.47 0.49 -0.33 0.40 0.00 0.00 0.00 178.15 178.24 1sj5 h ILE 118 N 0.83 0.31 -0.52 -0.67 2.04 0.22 -1.56 117.51 118.15 1sj5 h ILE 118 Ca 0.10 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.97 1sj5 h ILE 118 Cb 0.85 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1sj5 h ILE 118 CO 0.08 0.00 0.35 -0.07 0.00 0.00 0.00 178.15 178.50 1sj5 h LEU 119 N -0.63 0.56 -0.04 1.44 3.38 -1.21 0.74 115.31 119.55 1sj5 h LEU 119 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1sj5 h LEU 119 Cb 0.60 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1sj5 h LEU 119 CO -0.12 0.39 0.03 0.00 0.09 0.00 0.00 178.44 178.83 1sj5 h ALA 120 N 1.69 0.06 -0.03 1.53 0.00 -1.23 -0.85 119.26 120.42 1sj5 h ALA 120 Ca 0.20 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1sj5 h ALA 120 Cb 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1sj5 h ALA 120 CO -0.05 -0.41 -0.19 0.28 0.00 0.00 0.00 179.25 178.87 1sj5 h VAL 121 N -0.00 0.53 -0.72 0.00 2.07 0.14 0.24 116.25 118.51 1sj5 h VAL 121 Ca 0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1sj5 h VAL 121 Cb 0.06 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1sj5 h VAL 121 CO -0.00 0.00 0.33 0.11 0.02 0.00 0.00 177.57 178.03 1sj5 h LYS 122 N -0.30 1.04 0.00 1.57 1.57 -0.97 -2.80 116.57 116.69 1sj5 h LYS 122 Ca 0.07 -0.16 -0.21 0.00 -1.87 0.00 0.00 60.65 58.47 1sj5 h LYS 122 Cb 0.39 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1sj5 h LYS 122 CO -0.20 0.83 -1.05 1.79 -0.57 0.00 0.00 179.45 180.25 1sj5 h THR 123 N 1.01 1.59 0.00 -0.16 1.35 -1.14 -3.48 112.91 112.08 1sj5 h THR 123 Ca 0.24 -3.30 0.00 0.00 -0.55 0.00 0.00 66.41 62.81 1sj5 h THR 123 Cb 0.14 2.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 1sj5 h THR 123 CO -0.03 0.91 0.00 0.61 -0.25 0.00 0.00 175.52 176.76 1sj5 n GLY 124 N 1.36 0.74 3.81 5.82 0.00 0.84 -5.06 105.19 112.70 1sj5 n GLY 124 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1sj5 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sj5 s ALA 125 N -2.06 2.99 0.81 4.61 0.00 -1.06 -5.00 121.76 122.05 1sj5 s ALA 125 Ca 0.00 0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.30 1sj5 s ALA 125 Cb 0.00 -3.18 0.08 0.00 0.00 0.00 0.00 23.12 20.02 1sj5 s ALA 125 CO 0.00 0.00 1.13 -1.25 0.00 0.00 0.00 175.76 175.64 1sj5 s PRO 126 N -3.21 1.87 -0.16 0.00 0.04 -1.26 -4.66 135.00 127.62 1sj5 s PRO 126 Ca 0.63 1.39 0.01 0.00 0.04 0.00 0.00 61.00 63.07 1sj5 s PRO 126 Cb -0.11 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.61 1sj5 s PRO 126 CO 0.15 -1.97 -0.19 0.42 0.04 0.00 0.00 177.00 175.46 1sj5 s ILE 127 N -2.66 1.91 0.14 0.56 1.01 -1.25 -2.45 121.20 118.47 1sj5 s ILE 127 Ca 0.65 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 60.48 1sj5 s ILE 127 Cb -0.21 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1sj5 s ILE 127 CO 0.54 0.52 0.20 -0.36 0.00 0.00 0.00 174.94 175.84 1sj5 s PHE 128 N 1.26 3.33 -0.11 3.97 0.08 0.18 0.64 117.98 127.32 1sj5 s PHE 128 Ca 0.03 0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.16 1sj5 s PHE 128 Cb -0.13 -1.61 0.02 0.00 -0.57 0.00 0.00 43.02 40.73 1sj5 s PHE 128 CO -0.10 0.52 -0.14 0.08 -0.10 0.00 0.00 175.22 175.48 1sj5 s VAL 129 N -1.70 1.41 0.09 -0.44 1.01 -0.62 -1.67 120.40 118.47 1sj5 s VAL 129 Ca 0.33 -0.57 -0.35 0.00 0.00 0.00 0.00 61.98 61.38 1sj5 s VAL 129 Cb -0.11 -1.31 -0.18 0.00 0.00 0.00 0.00 36.38 34.78 1sj5 s VAL 129 CO 0.26 0.43 0.94 -0.24 0.00 0.00 0.00 175.10 176.48 1sj5 n SER 130 N 4.39 -0.10 -0.27 3.32 2.88 -0.45 -3.05 113.62 120.34 1sj5 n SER 130 Ca -0.18 1.15 -0.02 0.00 -1.33 0.00 0.00 58.87 58.48 1sj5 n SER 130 Cb 0.51 -0.98 0.03 0.00 -0.75 0.00 0.00 64.21 63.02 1sj5 n SER 130 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1sj5 h ASP 131 N 2.55 -1.17 -0.66 -3.46 5.19 -1.71 -1.78 116.42 115.38 1sj5 h ASP 131 Ca -0.43 0.26 0.12 0.00 -0.62 0.00 0.00 57.03 56.36 1sj5 h ASP 131 Cb 1.42 0.62 -0.09 0.00 0.18 0.00 0.00 39.33 41.46 1sj5 h ASP 131 CO 0.64 -0.29 0.21 -1.13 -3.12 0.00 0.00 179.24 175.54 1sj5 h ASN 132 N -0.08 0.14 0.36 6.45 -1.24 -1.88 -1.03 115.58 118.28 1sj5 h ASN 132 Ca 0.30 0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.41 1sj5 h ASN 132 Cb 0.57 0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.72 1sj5 h ASN 132 CO -0.80 0.06 -0.42 -0.07 -1.29 0.00 0.00 177.43 174.90 1sj5 h LEU 133 N 0.35 -1.19 -0.99 0.34 3.38 -1.64 -1.50 115.31 114.07 1sj5 h LEU 133 Ca 0.35 0.10 0.34 0.00 0.09 0.00 0.00 57.88 58.77 1sj5 h LEU 133 Cb 0.52 0.40 -0.18 0.00 0.09 0.00 0.00 40.66 41.49 1sj5 h LEU 133 CO -0.39 -0.54 0.34 0.58 0.09 0.00 0.00 178.44 178.53 1sj5 h VAL 134 N -0.80 0.06 -0.01 1.22 2.07 -0.72 0.41 116.25 118.48 1sj5 h VAL 134 Ca -0.04 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1sj5 h VAL 134 Cb 0.71 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1sj5 h VAL 134 CO -0.09 0.01 -0.27 -0.33 0.02 0.00 0.00 177.57 176.91 1sj5 h GLU 135 N 0.05 0.20 0.05 1.57 5.08 -0.98 -3.11 114.58 117.45 1sj5 h GLU 135 Ca 0.73 -0.20 -0.27 0.00 -1.00 0.00 0.00 59.36 58.62 1sj5 h GLU 135 Cb 1.75 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.03 1sj5 h GLU 135 CO -0.80 0.91 -1.37 0.87 -1.00 0.00 0.00 179.01 177.62 1sj5 h LYS 136 N -0.43 0.11 0.00 2.33 1.57 -0.33 -3.42 116.57 116.41 1sj5 h LYS 136 Ca -0.03 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1sj5 h LYS 136 Cb 1.00 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1sj5 h LYS 136 CO 0.05 0.95 0.00 0.72 -0.57 0.00 0.00 179.45 180.60 1sj5 n HIS 137 N -3.33 0.00 -2.41 -1.35 8.25 0.14 -5.04 115.22 111.47 1sj5 n HIS 137 Ca -0.11 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.11 1sj5 n HIS 137 Cb 1.01 0.00 0.05 0.00 1.12 0.00 0.00 29.99 32.17 1sj5 n HIS 137 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1sj5 s SER 138 N -0.22 5.22 0.05 0.41 1.04 -1.17 -4.76 113.70 114.27 1sj5 s SER 138 Ca 0.00 0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.86 1sj5 s SER 138 Cb 0.00 -1.28 -0.03 0.00 0.10 0.00 0.00 66.02 64.81 1sj5 s SER 138 CO 0.00 -1.27 -0.05 0.27 0.98 0.00 0.00 173.24 173.17 1sj5 s ILE 139 N -3.02 0.36 -0.08 -1.02 -4.36 -0.47 -4.94 121.20 107.68 1sj5 s ILE 139 Ca 0.57 -1.47 0.01 0.00 -0.26 0.00 0.00 60.65 59.50 1sj5 s ILE 139 Cb -0.11 -1.07 -0.02 0.00 1.25 0.00 0.00 42.46 42.51 1sj5 s ILE 139 CO 0.43 -0.73 -0.11 -0.70 0.24 0.00 0.00 174.94 174.07 1sj5 s GLU 140 N -2.83 2.88 -0.09 0.37 2.12 -1.26 -0.98 118.70 118.91 1sj5 s GLU 140 Ca -0.01 -0.64 -0.03 0.00 0.36 0.00 0.00 54.97 54.65 1sj5 s GLU 140 Cb -0.01 -2.54 -0.04 0.00 0.26 0.00 0.00 34.13 31.81 1sj5 s GLU 140 CO -0.05 0.50 0.04 -0.51 -0.54 0.00 0.00 175.26 174.71 1sj5 s LEU 141 N -0.39 3.81 0.00 2.70 1.43 -1.04 -5.03 118.68 120.16 1sj5 s LEU 141 Ca 0.05 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1sj5 s LEU 141 Cb -0.12 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1sj5 s LEU 141 CO 0.02 0.38 0.00 -0.62 0.23 0.00 0.00 176.35 176.36 1sj5 n GLU 142 N 2.01 2.89 0.11 1.70 -0.58 -1.26 -4.94 120.64 120.57 1sj5 n GLU 142 Ca -0.18 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.51 1sj5 n GLU 142 Cb 0.54 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.39 1sj5 n GLU 142 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1sj5 h VAL 143 N 0.00 0.00 -0.09 2.62 -1.51 -2.02 -3.36 116.25 111.88 1sj5 h VAL 143 Ca 0.00 -0.17 -0.04 0.00 -1.23 0.00 0.00 66.70 65.26 1sj5 h VAL 143 Cb 0.00 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 29.15 1sj5 h VAL 143 CO 0.00 0.00 -0.11 0.78 -1.23 0.00 0.00 177.57 177.01 1sj5 h ASN 144 N -0.47 0.12 -0.99 4.19 4.21 -2.01 -2.96 115.58 117.68 1sj5 h ASN 144 Ca -0.03 -0.02 0.01 0.00 1.21 0.00 0.00 56.30 57.47 1sj5 h ASN 144 Cb 0.23 -0.03 -0.05 0.00 -1.12 0.00 0.00 38.32 37.35 1sj5 h ASN 144 CO 0.05 0.25 0.64 -0.33 -1.29 0.00 0.00 177.43 176.75 1sj5 h GLU 145 N 0.13 1.31 0.10 0.81 5.08 -1.94 -3.02 114.58 117.04 1sj5 h GLU 145 Ca 0.03 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 1sj5 h GLU 145 Cb 0.28 -0.29 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1sj5 h GLU 145 CO 0.02 0.88 -0.63 0.00 -1.00 0.00 0.00 179.01 178.27 1sj5 h ARG 146 N 1.34 0.20 -1.00 2.33 3.08 -1.67 -3.28 114.38 115.39 1sj5 h ARG 146 Ca 0.36 -0.34 0.22 0.00 0.07 0.00 0.00 59.98 60.28 1sj5 h ARG 146 Cb -0.13 0.13 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 1sj5 h ARG 146 CO -0.08 1.16 0.62 -0.44 -1.07 0.00 0.00 179.97 180.17 1sj5 h ASP 147 N -0.57 0.64 0.00 7.04 3.32 -1.60 -2.55 116.42 122.70 1sj5 h ASP 147 Ca -0.12 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1sj5 h ASP 147 Cb 1.46 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.99 1sj5 h ASP 147 CO 0.09 0.19 0.00 0.18 -1.72 0.00 0.00 179.24 177.98 1sj5 n LEU 148 N -4.72 0.00 -1.99 1.55 4.77 -1.14 -2.96 117.00 112.51 1sj5 n LEU 148 Ca 0.24 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.24 1sj5 n LEU 148 Cb 0.69 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.81 1sj5 n LEU 148 CO 0.23 -0.00 0.04 -0.38 -1.33 0.00 0.00 177.39 175.95 1sj5 n ILE 149 N -0.85 0.60 0.17 -0.08 5.41 -0.96 -5.14 119.36 118.50 1sj5 n ILE 149 Ca 0.00 -1.86 0.02 0.00 1.00 0.00 0.00 62.75 61.91 1sj5 n ILE 149 Cb 0.00 1.04 0.02 0.00 -0.71 0.00 0.00 39.64 39.99 1sj5 n ILE 149 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14