#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xs6 s ARG 2 N 0.00 3.75 0.11 2.12 1.81 -1.26 -3.96 118.95 121.52 1xs6 s ARG 2 Ca 0.00 0.17 -0.31 0.00 -1.72 0.00 0.00 55.73 53.87 1xs6 s ARG 2 Cb 0.00 -3.05 -0.10 0.00 -0.45 0.00 0.00 34.95 31.35 1xs6 s ARG 2 CO 0.00 0.60 1.74 -0.51 -0.68 0.00 0.00 175.30 176.45 1xs6 s LEU 3 N -1.73 4.38 0.99 2.53 1.43 -0.54 -5.02 118.68 120.73 1xs6 s LEU 3 Ca 0.30 2.66 -0.12 0.00 -1.03 0.00 0.00 54.13 55.94 1xs6 s LEU 3 Cb -0.14 -3.57 0.19 0.00 0.03 0.00 0.00 46.19 42.69 1xs6 s LEU 3 CO 0.17 -0.95 1.09 0.00 0.23 0.00 0.00 176.35 176.89 1xs6 h ASP 5 N -1.88 -0.47 -0.75 0.00 3.04 -0.59 -1.17 116.42 114.60 1xs6 h ASP 5 Ca -0.54 0.13 0.09 0.00 -3.24 0.00 0.00 57.03 53.47 1xs6 h ASP 5 Cb 1.33 0.29 -0.07 0.00 -1.04 0.00 0.00 39.33 39.84 1xs6 h ASP 5 CO 0.57 -0.17 0.40 -0.09 -2.04 0.00 0.00 179.24 177.91 1xs6 h ARG 6 N -0.04 0.67 -0.05 4.15 1.12 -1.93 -2.22 114.38 116.07 1xs6 h ARG 6 Ca 0.20 -0.04 -0.17 0.00 -1.11 0.00 0.00 59.98 58.86 1xs6 h ARG 6 Cb 0.34 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 30.14 1xs6 h ARG 6 CO -0.44 0.44 -0.72 -0.44 -3.11 0.00 0.00 179.97 175.69 1xs6 h ASP 7 N 0.69 0.32 -0.28 -3.80 3.32 -1.68 -2.30 116.42 112.69 1xs6 h ASP 7 Ca 0.36 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.22 1xs6 h ASP 7 Cb 0.34 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 1xs6 h ASP 7 CO -0.25 0.94 0.12 0.40 -1.72 0.00 0.00 179.24 178.73 1xs6 h ILE 8 N 0.18 0.96 -0.95 0.35 2.04 -0.71 0.23 117.51 119.60 1xs6 h ILE 8 Ca -0.02 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.81 1xs6 h ILE 8 Cb 1.29 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.98 1xs6 h ILE 8 CO 0.11 0.05 0.60 -0.33 0.00 0.00 0.00 178.15 178.58 1xs6 h GLU 9 N 0.26 1.06 -0.32 2.37 5.08 -1.26 0.66 114.58 122.42 1xs6 h GLU 9 Ca 0.12 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 1xs6 h GLU 9 Cb 0.06 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 1xs6 h GLU 9 CO -0.10 0.70 -0.44 0.00 -1.00 0.00 0.00 179.01 178.17 1xs6 h ALA 10 N 1.44 0.49 -0.51 3.43 0.00 -0.95 0.23 119.26 123.39 1xs6 h ALA 10 Ca 0.41 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1xs6 h ALA 10 Cb 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1xs6 h ALA 10 CO -0.18 0.63 -0.04 -1.49 0.00 0.00 0.00 179.25 178.17 1xs6 h TRP 11 N 0.66 0.97 -0.61 0.00 4.06 -0.71 -0.86 115.95 119.46 1xs6 h TRP 11 Ca 0.04 -0.16 -0.05 0.00 2.06 0.00 0.00 58.89 60.77 1xs6 h TRP 11 Cb 1.04 -0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 28.92 1xs6 h TRP 11 CO 0.07 0.90 0.18 -0.07 -3.56 0.00 0.00 178.44 175.96 1xs6 h LEU 12 N 0.82 0.86 -0.42 -4.49 3.38 -0.60 -1.64 115.31 113.22 1xs6 h LEU 12 Ca 0.15 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1xs6 h LEU 12 Cb 0.54 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1xs6 h LEU 12 CO 0.03 0.81 -0.20 0.44 0.09 0.00 0.00 178.44 179.62 1xs6 h ASP 13 N 0.89 0.89 -0.54 -0.43 3.32 -0.75 -2.57 116.42 117.23 1xs6 h ASP 13 Ca 0.20 -0.40 0.06 0.00 0.02 0.00 0.00 57.03 56.91 1xs6 h ASP 13 Cb 0.27 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1xs6 h ASP 13 CO -0.01 1.10 0.36 -0.08 -1.72 0.00 0.00 179.24 178.89 1xs6 h GLU 14 N 0.69 0.48 0.00 3.56 4.81 -1.03 -3.48 114.58 119.61 1xs6 h GLU 14 Ca 0.09 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1xs6 h GLU 14 Cb 0.76 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1xs6 h GLU 14 CO 0.06 0.32 0.00 0.41 -0.73 0.00 0.00 179.01 179.07 1xs6 n GLY 15 N -1.50 0.90 0.14 1.92 0.00 -0.63 -4.91 105.19 101.12 1xs6 n GLY 15 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1xs6 n GLY 15 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xs6 h ARG 16 N 3.75 0.46 -6.46 1.61 3.08 -1.85 -3.40 114.38 111.56 1xs6 h ARG 16 Ca 0.00 -0.70 -0.53 0.00 0.07 0.00 0.00 59.98 58.82 1xs6 h ARG 16 Cb 0.00 0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1xs6 h ARG 16 CO 0.00 1.32 0.38 -1.17 -1.07 0.00 0.00 179.97 179.43 1xs6 s LEU 17 N -7.86 4.41 -0.01 3.04 2.96 -1.26 -4.09 118.68 115.87 1xs6 s LEU 17 Ca -0.11 1.73 0.01 0.00 -0.22 0.00 0.00 54.13 55.54 1xs6 s LEU 17 Cb 0.03 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.15 1xs6 s LEU 17 CO 0.89 -0.22 -0.02 -0.94 -1.32 0.00 0.00 176.35 174.73 1xs6 s SER 18 N 0.72 0.31 -0.14 3.68 1.04 -0.62 -4.31 113.70 114.37 1xs6 s SER 18 Ca 0.51 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.90 1xs6 s SER 18 Cb -0.22 -0.06 0.02 0.00 0.10 0.00 0.00 66.02 65.86 1xs6 s SER 18 CO 0.29 0.01 -0.12 -0.63 0.98 0.00 0.00 173.24 173.76 1xs6 s ILE 19 N 0.10 1.43 -0.11 -1.02 1.01 -1.26 -0.69 121.20 120.65 1xs6 s ILE 19 Ca -0.01 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 1xs6 s ILE 19 Cb -0.03 -1.36 0.03 0.00 0.01 0.00 0.00 42.46 41.11 1xs6 s ILE 19 CO -0.00 0.43 -0.06 0.20 0.00 0.00 0.00 174.94 175.51 1xs6 s ASN 20 N 1.52 2.16 0.62 3.58 0.01 -0.23 -2.05 114.94 120.56 1xs6 s ASN 20 Ca 0.04 -0.31 -0.17 0.00 -0.71 0.00 0.00 52.86 51.71 1xs6 s ASN 20 Cb -0.13 -0.79 -0.02 0.00 0.41 0.00 0.00 41.25 40.72 1xs6 s ASN 20 CO -0.10 -0.14 1.14 -2.16 -1.51 0.00 0.00 177.10 174.34 1xs6 s PRO 21 N 1.74 2.93 -0.20 -0.60 0.04 -1.26 -0.93 135.00 136.72 1xs6 s PRO 21 Ca 0.05 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 1xs6 s PRO 21 Cb -0.13 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 1xs6 s PRO 21 CO -0.08 -1.19 1.24 0.50 0.04 0.00 0.00 177.00 177.52 1xs6 s ARG 22 N -3.68 4.17 0.37 4.56 3.52 -0.87 -4.91 118.95 122.12 1xs6 s ARG 22 Ca 0.72 1.53 -0.26 0.00 -0.13 0.00 0.00 55.73 57.58 1xs6 s ARG 22 Cb -0.24 -3.77 -0.12 0.00 -1.56 0.00 0.00 34.95 29.26 1xs6 s ARG 22 CO 0.36 -0.79 1.17 -2.30 -0.81 0.00 0.00 175.30 172.93 1xs6 n PRO 23 N 6.73 1.76 -1.13 5.12 -0.02 -1.26 -4.99 135.00 141.21 1xs6 n PRO 23 Ca 0.14 0.62 -0.30 0.00 -2.02 0.00 0.00 63.50 61.94 1xs6 n PRO 23 Cb 0.45 -2.19 0.14 0.00 -0.02 0.00 0.00 33.50 31.88 1xs6 n PRO 23 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xs6 s PRO 24 N -1.94 1.32 0.55 0.52 0.04 -1.26 -4.86 135.00 129.37 1xs6 s PRO 24 Ca 0.59 0.96 0.28 0.00 0.04 0.00 0.00 61.00 62.87 1xs6 s PRO 24 Cb -0.57 -1.81 1.45 0.00 0.04 0.00 0.00 34.50 33.61 1xs6 s PRO 24 CO 0.60 -2.23 1.95 0.28 0.04 0.00 0.00 177.00 177.63 1xs6 h VAL 25 N -1.55 0.60 0.00 -0.36 2.07 -1.94 0.27 116.25 115.34 1xs6 h VAL 25 Ca -0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1xs6 h VAL 25 Cb 1.27 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1xs6 h VAL 25 CO 0.52 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 177.78 1xs6 h GLU 26 N 0.00 0.00 -0.06 1.57 3.07 -2.03 -2.69 114.58 114.44 1xs6 h GLU 26 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 1xs6 h GLU 26 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1xs6 h GLU 26 CO -0.00 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.15 1xs6 n ARG 27 N -2.79 0.82 -4.00 2.33 5.12 0.94 -4.86 116.66 114.22 1xs6 n ARG 27 Ca -0.01 -1.26 -0.34 0.00 -1.93 0.00 0.00 57.85 54.31 1xs6 n ARG 27 Cb 0.13 -1.21 -0.15 0.00 -1.16 0.00 0.00 32.46 30.07 1xs6 n ARG 27 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xs6 s ILE 28 N -0.90 2.68 -0.09 0.55 1.01 -1.01 -1.00 121.20 122.44 1xs6 s ILE 28 Ca 0.14 -1.07 -0.28 0.00 0.00 0.00 0.00 60.65 59.44 1xs6 s ILE 28 Cb 0.09 -2.35 0.07 0.00 0.01 0.00 0.00 42.46 40.28 1xs6 s ILE 28 CO 0.13 0.23 0.65 0.54 0.00 0.00 0.00 174.94 176.50 1xs6 s ASN 29 N 1.30 -0.63 0.50 3.58 2.20 -0.50 -4.88 114.94 116.50 1xs6 s ASN 29 Ca -0.00 0.81 0.00 0.00 -0.94 0.00 0.00 52.86 52.73 1xs6 s ASN 29 Cb -0.16 0.70 0.00 0.00 -2.00 0.00 0.00 41.25 39.79 1xs6 s ASN 29 CO -0.06 -0.52 0.00 0.61 -2.94 0.00 0.00 177.10 174.19 1xs6 n GLY 30 N 1.31 1.35 0.22 0.45 0.00 -1.26 -1.60 105.19 105.66 1xs6 n GLY 30 Ca -0.18 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.06 1xs6 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs6 n ALA 31 N 5.89 1.81 -2.30 4.61 0.00 -1.26 0.15 120.51 129.41 1xs6 n ALA 31 Ca 0.00 -1.22 -0.11 0.00 0.00 0.00 0.00 53.44 52.11 1xs6 n ALA 31 Cb 0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 19.45 19.06 1xs6 n ALA 31 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xs6 s THR 32 N -0.74 0.61 -0.19 0.00 -4.23 -0.63 -4.43 115.64 106.03 1xs6 s THR 32 Ca 0.07 -1.75 -0.02 0.00 -1.18 0.00 0.00 61.69 58.81 1xs6 s THR 32 Cb 0.06 -1.45 -0.00 0.00 1.34 0.00 0.00 72.50 72.45 1xs6 s THR 32 CO 0.01 -0.79 -0.10 -0.69 -0.54 0.00 0.00 174.62 172.50 1xs6 s VAL 33 N -3.21 2.98 0.28 2.29 1.01 -0.48 -1.41 120.40 121.85 1xs6 s VAL 33 Ca 0.07 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 1xs6 s VAL 33 Cb 0.03 -2.31 -0.10 0.00 0.00 0.00 0.00 36.38 33.99 1xs6 s VAL 33 CO -0.04 0.47 1.43 -1.81 0.00 0.00 0.00 175.10 175.15 1xs6 s ASP 34 N 1.21 6.63 0.30 3.32 1.01 -0.17 -1.23 116.67 127.74 1xs6 s ASP 34 Ca 0.02 2.72 0.09 0.00 0.71 0.00 0.00 52.55 56.09 1xs6 s ASP 34 Cb -0.14 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.11 1xs6 s ASP 34 CO -0.04 -0.70 0.02 0.68 0.21 0.00 0.00 175.17 175.34 1xs6 s VAL 35 N -0.29 3.16 0.21 -1.27 -7.23 -0.05 -4.90 120.40 110.03 1xs6 s VAL 35 Ca 0.57 -1.90 0.11 0.00 -1.81 0.00 0.00 61.98 58.95 1xs6 s VAL 35 Cb -0.42 -2.84 -0.05 0.00 0.56 0.00 0.00 36.38 33.63 1xs6 s VAL 35 CO 0.47 -0.30 -0.21 -0.13 -0.31 0.00 0.00 175.10 174.62 1xs6 s ARG 36 N -3.71 1.50 0.24 4.82 0.52 -1.26 -0.96 118.95 120.10 1xs6 s ARG 36 Ca 0.33 -1.58 -0.30 0.00 -0.52 0.00 0.00 55.73 53.67 1xs6 s ARG 36 Cb -0.04 -1.66 -0.09 0.00 0.52 0.00 0.00 34.95 33.68 1xs6 s ARG 36 CO 0.20 0.33 1.00 -1.17 0.02 0.00 0.00 175.30 175.69 1xs6 s LEU 37 N -2.96 4.60 0.00 2.53 2.96 0.41 0.32 118.68 126.53 1xs6 s LEU 37 Ca 0.22 2.05 0.00 0.00 -0.22 0.00 0.00 54.13 56.18 1xs6 s LEU 37 Cb -0.06 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.02 1xs6 s LEU 37 CO 0.10 0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.76 1xs6 n GLY 38 N 1.50 0.60 0.19 7.98 0.00 0.68 0.26 105.19 116.39 1xs6 n GLY 38 Ca -0.01 -1.87 0.09 0.00 0.00 0.00 0.00 46.02 44.22 1xs6 n GLY 38 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xs6 n ASN 39 N -1.19 2.03 -4.35 1.61 5.15 -1.26 -4.25 115.26 113.00 1xs6 n ASN 39 Ca 0.00 -3.05 -0.32 0.00 -0.60 0.00 0.00 54.58 50.61 1xs6 n ASN 39 Cb 0.00 -0.41 -0.15 0.00 -0.53 0.00 0.00 39.78 38.68 1xs6 n ASN 39 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1xs6 s LYS 40 N -2.59 2.70 0.12 1.20 1.02 -1.26 -3.18 119.74 117.75 1xs6 s LYS 40 Ca 0.29 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.48 1xs6 s LYS 40 Cb 0.26 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 35.22 1xs6 s LYS 40 CO 0.01 0.42 -0.01 -0.06 -0.92 0.00 0.00 175.35 174.79 1xs6 s PHE 41 N -0.22 0.92 0.01 3.18 0.40 0.19 -3.64 117.98 118.81 1xs6 s PHE 41 Ca -0.01 -1.06 -0.02 0.00 -0.60 0.00 0.00 56.93 55.25 1xs6 s PHE 41 Cb -0.13 -0.54 -0.01 0.00 0.51 0.00 0.00 43.02 42.85 1xs6 s PHE 41 CO 0.03 -0.30 0.02 1.03 0.70 0.00 0.00 175.22 176.70 1xs6 s ARG 42 N -3.93 0.24 0.23 0.44 0.52 -0.62 0.54 118.95 116.38 1xs6 s ARG 42 Ca 0.18 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 1xs6 s ARG 42 Cb 0.07 0.09 -0.00 0.00 0.52 0.00 0.00 34.95 35.63 1xs6 s ARG 42 CO -0.01 -0.04 0.01 0.25 0.02 0.00 0.00 175.30 175.52 1xs6 n THR 43 N 2.11 0.00 -5.13 0.02 -2.24 -1.26 -1.97 114.28 105.80 1xs6 n THR 43 Ca -0.20 -1.11 -0.30 0.00 -2.27 0.00 0.00 64.05 60.18 1xs6 n THR 43 Cb 0.57 0.24 -0.16 0.00 -2.10 0.00 0.00 70.33 68.87 1xs6 n THR 43 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1xs6 s PHE 44 N -1.89 2.24 -0.92 4.78 0.40 -1.26 -1.46 117.98 119.86 1xs6 s PHE 44 Ca 0.01 -0.71 -0.02 0.00 -0.60 0.00 0.00 56.93 55.61 1xs6 s PHE 44 Cb 0.00 -1.49 0.24 0.00 0.51 0.00 0.00 43.02 42.28 1xs6 s PHE 44 CO 0.01 -0.24 0.89 0.54 0.70 0.00 0.00 175.22 177.12 1xs6 n ARG 45 N 3.12 2.92 0.22 0.44 1.74 0.39 -4.93 116.66 120.57 1xs6 n ARG 45 Ca -0.18 -4.50 0.17 0.00 -0.77 0.00 0.00 57.85 52.57 1xs6 n ARG 45 Cb 0.52 -2.42 0.84 0.00 -1.02 0.00 0.00 32.46 30.38 1xs6 n ARG 45 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1xs6 h GLY 46 N 5.84 0.00 1.72 -0.13 0.00 -1.91 -3.04 103.07 105.55 1xs6 h GLY 46 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1xs6 h GLY 46 CO 0.92 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 175.07 1xs6 n HIS 47 N -3.80 0.00 1.03 5.60 1.44 -1.26 -2.79 115.22 115.44 1xs6 n HIS 47 Ca 0.01 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.83 1xs6 n HIS 47 Cb 0.30 -0.36 0.07 0.00 0.12 0.00 0.00 29.99 30.11 1xs6 n HIS 47 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1xs6 n THR 48 N -1.36 0.00 -3.71 0.61 -2.24 -1.15 -4.95 114.28 101.48 1xs6 n THR 48 Ca 0.06 -0.07 -0.14 0.00 -2.27 0.00 0.00 64.05 61.62 1xs6 n THR 48 Cb 0.13 0.78 -0.08 0.00 -2.10 0.00 0.00 70.33 69.06 1xs6 n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xs6 s ALA 49 N -2.82 -0.98 0.16 6.98 0.00 -1.12 -4.94 121.76 119.04 1xs6 s ALA 49 Ca 0.13 0.53 -0.07 0.00 0.00 0.00 0.00 51.96 52.55 1xs6 s ALA 49 Cb 0.17 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1xs6 s ALA 49 CO 0.72 -0.28 1.44 0.00 0.00 0.00 0.00 175.76 177.64 1xs6 h ALA 50 N 3.73 0.56 -2.51 0.00 0.00 -1.93 -3.47 119.26 115.64 1xs6 h ALA 50 Ca -0.29 -0.54 0.15 0.00 0.00 0.00 0.00 54.91 54.23 1xs6 h ALA 50 Cb 1.17 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1xs6 h ALA 50 CO 0.40 0.69 0.51 -0.59 0.00 0.00 0.00 179.25 180.26 1xs6 s PHE 51 N -3.96 -0.01 -0.17 0.00 -0.12 -1.26 -5.14 117.98 107.33 1xs6 s PHE 51 Ca -0.09 -0.39 0.01 0.00 -0.05 0.00 0.00 56.93 56.42 1xs6 s PHE 51 Cb 0.10 0.69 0.02 0.00 -0.63 0.00 0.00 43.02 43.20 1xs6 s PHE 51 CO 0.87 -0.96 -0.20 0.42 -0.05 0.00 0.00 175.22 175.29 1xs6 s ILE 52 N -2.66 2.04 -0.48 -4.49 1.01 -1.26 -5.01 121.20 110.34 1xs6 s ILE 52 Ca 0.17 -0.94 -0.26 0.00 0.00 0.00 0.00 60.65 59.62 1xs6 s ILE 52 Cb -0.02 -1.83 0.03 0.00 0.01 0.00 0.00 42.46 40.65 1xs6 s ILE 52 CO 0.05 0.54 0.99 -0.62 0.00 0.00 0.00 174.94 175.90 1xs6 s ASP 53 N 1.14 6.51 0.04 3.58 -1.08 -1.26 -4.95 116.67 120.65 1xs6 s ASP 53 Ca 0.01 0.15 -0.28 0.00 -0.52 0.00 0.00 52.55 51.91 1xs6 s ASP 53 Cb -0.14 -2.48 -0.15 0.00 -1.46 0.00 0.00 42.92 38.69 1xs6 s ASP 53 CO -0.09 -1.14 1.37 -0.07 0.52 0.00 0.00 175.17 175.76 1xs6 h LEU 54 N 10.83 -0.85 -7.53 -1.34 3.38 -1.98 -3.26 115.31 114.54 1xs6 h LEU 54 Ca -0.24 0.03 -0.78 0.00 0.09 0.00 0.00 57.88 56.98 1xs6 h LEU 54 Cb 1.07 0.22 -0.25 0.00 0.09 0.00 0.00 40.66 41.79 1xs6 h LEU 54 CO 1.06 -0.59 0.78 -1.54 0.09 0.00 0.00 178.44 178.25 1xs6 n SER 55 N -4.83 5.49 -3.79 -0.43 3.41 -1.26 -4.76 113.62 107.45 1xs6 n SER 55 Ca -0.13 -3.05 -0.24 0.00 -0.26 0.00 0.00 58.87 55.19 1xs6 n SER 55 Cb 0.40 -1.43 -0.07 0.00 -0.26 0.00 0.00 64.21 62.85 1xs6 n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xs6 n GLY 56 N 3.00 3.31 3.66 5.00 0.00 -1.23 -5.09 105.19 113.83 1xs6 n GLY 56 Ca 0.28 -2.12 -0.47 0.00 0.00 0.00 0.00 46.02 43.70 1xs6 n GLY 56 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xs6 n PRO 57 N -0.89 1.96 -0.34 1.61 -0.02 -1.26 -4.80 135.00 131.26 1xs6 n PRO 57 Ca -0.07 0.71 0.20 0.00 -2.02 0.00 0.00 63.50 62.32 1xs6 n PRO 57 Cb 0.58 -2.46 0.41 0.00 -0.02 0.00 0.00 33.50 32.01 1xs6 n PRO 57 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1xs6 h LYS 58 N 6.08 0.45 -0.04 -0.52 3.64 -1.97 -1.83 116.57 122.37 1xs6 h LYS 58 Ca -0.46 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1xs6 h LYS 58 Cb 1.27 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1xs6 h LYS 58 CO 0.88 0.30 0.01 -0.44 -2.27 0.00 0.00 179.45 177.92 1xs6 h ASP 59 N 0.47 0.07 -0.45 4.20 3.32 -1.93 -1.63 116.42 120.46 1xs6 h ASP 59 Ca 0.67 -0.25 -0.13 0.00 0.02 0.00 0.00 57.03 57.34 1xs6 h ASP 59 Cb 1.38 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 1xs6 h ASP 59 CO -0.53 0.30 -0.23 -0.33 -1.72 0.00 0.00 179.24 176.73 1xs6 h GLU 60 N -0.17 0.95 0.08 3.56 5.08 -1.72 -1.97 114.58 120.39 1xs6 h GLU 60 Ca 0.01 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1xs6 h GLU 60 Cb 0.26 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1xs6 h GLU 60 CO 0.00 1.09 -0.04 0.28 -1.00 0.00 0.00 179.01 179.34 1xs6 h VAL 61 N 0.79 1.04 -1.00 3.13 2.07 -1.45 0.90 116.25 121.73 1xs6 h VAL 61 Ca 0.10 -0.41 0.19 0.00 0.82 0.00 0.00 66.70 67.40 1xs6 h VAL 61 Cb 0.81 1.31 -0.11 0.00 -1.52 0.00 0.00 31.29 31.78 1xs6 h VAL 61 CO 0.07 0.10 0.61 0.28 0.02 0.00 0.00 177.57 178.65 1xs6 h SER 62 N -0.29 0.77 0.27 0.57 0.02 -1.31 0.13 113.55 113.71 1xs6 h SER 62 Ca -0.01 0.09 -0.25 0.00 -0.84 0.00 0.00 61.79 60.79 1xs6 h SER 62 Cb 0.25 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.76 1xs6 h SER 62 CO 0.02 0.27 -1.03 0.00 -1.14 0.00 0.00 176.83 174.95 1xs6 h ALA 63 N 1.64 0.24 -0.27 3.77 0.00 -1.04 -2.14 119.26 121.46 1xs6 h ALA 63 Ca 0.58 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1xs6 h ALA 63 Cb 0.92 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1xs6 h ALA 63 CO -0.37 0.79 0.15 0.00 0.00 0.00 0.00 179.25 179.81 1xs6 h ALA 64 N 0.60 0.35 -0.97 0.00 0.00 -0.18 -2.39 119.26 116.66 1xs6 h ALA 64 Ca -0.11 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1xs6 h ALA 64 Cb 1.68 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 1xs6 h ALA 64 CO 0.19 -0.11 0.64 -0.07 0.00 0.00 0.00 179.25 179.90 1xs6 h LEU 65 N 0.32 1.11 -1.32 0.00 3.38 -0.80 -2.12 115.31 115.89 1xs6 h LEU 65 Ca 0.10 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1xs6 h LEU 65 Cb 0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1xs6 h LEU 65 CO -0.01 0.80 -0.08 0.44 0.09 0.00 0.00 178.44 179.68 1xs6 h ASP 66 N 1.31 0.33 0.08 -0.43 5.19 -1.18 -2.37 116.42 119.35 1xs6 h ASP 66 Ca 0.36 -0.07 -0.24 0.00 -0.62 0.00 0.00 57.03 56.46 1xs6 h ASP 66 Cb -0.14 -0.09 0.02 0.00 0.18 0.00 0.00 39.33 39.30 1xs6 h ASP 66 CO -0.08 0.46 -0.99 0.03 -3.12 0.00 0.00 179.24 175.54 1xs6 h ARG 67 N 0.34 0.52 0.00 3.56 3.08 -0.97 -3.36 114.38 117.55 1xs6 h ARG 67 Ca 0.07 -0.67 -0.09 0.00 0.07 0.00 0.00 59.98 59.35 1xs6 h ARG 67 Cb 0.36 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1xs6 h ARG 67 CO 0.02 1.28 -0.45 -0.39 -1.07 0.00 0.00 179.97 179.36 1xs6 h VAL 68 N 0.08 0.80 -3.36 2.04 -1.51 -1.31 -3.44 116.25 109.55 1xs6 h VAL 68 Ca -0.15 -2.02 -0.57 0.00 -1.23 0.00 0.00 66.70 62.73 1xs6 h VAL 68 Cb 1.69 2.32 -0.06 0.00 -2.13 0.00 0.00 31.29 33.11 1xs6 h VAL 68 CO 0.19 0.44 0.16 -0.04 -1.23 0.00 0.00 177.57 177.08 1xs6 s MET 69 N -3.07 4.37 0.59 5.19 -1.94 -0.90 0.15 119.30 123.69 1xs6 s MET 69 Ca 0.04 0.87 -0.19 0.00 -1.71 0.00 0.00 55.69 54.70 1xs6 s MET 69 Cb 0.08 -3.49 -0.03 0.00 2.01 0.00 0.00 34.83 33.39 1xs6 s MET 69 CO 0.73 -0.06 1.20 -1.54 -0.01 0.00 0.00 175.02 175.33 1xs6 s SER 70 N 0.93 5.22 1.00 3.03 1.04 -0.54 -4.89 113.70 119.49 1xs6 s SER 70 Ca 0.36 2.35 -0.11 0.00 0.48 0.00 0.00 55.95 59.04 1xs6 s SER 70 Cb -0.17 -2.59 0.19 0.00 0.10 0.00 0.00 66.02 63.55 1xs6 s SER 70 CO 0.16 -1.57 1.11 -1.81 0.98 0.00 0.00 173.24 172.10 1xs6 s ASP 71 N -1.66 2.24 0.18 7.02 1.11 -1.26 -4.64 116.67 119.67 1xs6 s ASP 71 Ca 0.76 1.99 -0.31 0.00 0.18 0.00 0.00 52.55 55.17 1xs6 s ASP 71 Cb -0.29 -2.49 -0.09 0.00 1.07 0.00 0.00 42.92 41.11 1xs6 s ASP 71 CO 0.33 -3.50 1.41 -0.70 1.18 0.00 0.00 175.17 173.90 1xs6 s GLU 72 N -4.58 4.30 -0.07 8.23 2.12 -1.26 -4.69 118.70 122.76 1xs6 s GLU 72 Ca 0.67 2.19 -0.16 0.00 0.36 0.00 0.00 54.97 58.03 1xs6 s GLU 72 Cb -0.24 -3.18 -0.05 0.00 0.26 0.00 0.00 34.13 30.93 1xs6 s GLU 72 CO 0.60 -0.41 0.43 0.42 -0.54 0.00 0.00 175.26 175.76 1xs6 s ILE 73 N 0.52 5.11 -0.16 -3.70 1.01 0.19 -4.92 121.20 119.27 1xs6 s ILE 73 Ca 0.62 0.87 0.01 0.00 0.00 0.00 0.00 60.65 62.15 1xs6 s ILE 73 Cb -0.39 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.34 1xs6 s ILE 73 CO 0.36 0.45 -0.17 -0.69 0.00 0.00 0.00 174.94 174.89 1xs6 s VAL 74 N -0.18 1.78 0.14 2.92 1.01 -1.26 -0.64 120.40 124.17 1xs6 s VAL 74 Ca 0.24 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 1xs6 s VAL 74 Cb -0.16 -1.63 -0.07 0.00 0.00 0.00 0.00 36.38 34.53 1xs6 s VAL 74 CO 0.11 0.49 0.94 -0.76 0.00 0.00 0.00 175.10 175.89 1xs6 s LEU 75 N 1.34 4.54 0.92 3.92 1.43 -1.19 -5.05 118.68 124.58 1xs6 s LEU 75 Ca 0.03 1.81 -0.12 0.00 -1.03 0.00 0.00 54.13 54.83 1xs6 s LEU 75 Cb -0.13 -3.57 0.14 0.00 0.03 0.00 0.00 46.19 42.66 1xs6 s LEU 75 CO -0.10 -0.00 1.09 -1.81 0.23 0.00 0.00 176.35 175.76 1xs6 s ASP 76 N -0.31 3.31 0.07 2.29 1.01 -1.26 -4.87 116.67 116.91 1xs6 s ASP 76 Ca 0.45 1.45 -0.36 0.00 0.71 0.00 0.00 52.55 54.79 1xs6 s ASP 76 Cb -0.24 -2.12 -0.15 0.00 1.01 0.00 0.00 42.92 41.42 1xs6 s ASP 76 CO 0.30 -2.74 1.48 -0.62 0.21 0.00 0.00 175.17 173.81 1xs6 n GLU 77 N -3.94 1.54 -1.20 8.23 -0.58 -1.26 -1.22 120.64 122.20 1xs6 n GLU 77 Ca 0.07 0.56 -0.07 0.00 -0.42 0.00 0.00 57.16 57.29 1xs6 n GLU 77 Cb 0.55 -2.26 -0.03 0.00 -0.57 0.00 0.00 31.44 29.14 1xs6 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xs6 n GLY 78 N 3.06 0.87 3.90 0.62 0.00 -1.26 -5.00 105.19 107.37 1xs6 n GLY 78 Ca 0.19 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1xs6 n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xs6 s GLU 79 N -2.25 3.62 0.17 1.61 2.02 -0.36 -5.11 118.70 118.39 1xs6 s GLU 79 Ca 0.00 -0.09 0.07 0.00 0.02 0.00 0.00 54.97 54.97 1xs6 s GLU 79 Cb 0.00 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.33 1xs6 s GLU 79 CO 0.00 0.48 0.02 0.00 0.02 0.00 0.00 175.26 175.77 1xs6 s ALA 80 N -1.64 3.25 -0.24 5.21 0.00 -1.26 -4.57 121.76 122.51 1xs6 s ALA 80 Ca 0.40 -1.33 -0.09 0.00 0.00 0.00 0.00 51.96 50.95 1xs6 s ALA 80 Cb -0.12 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1xs6 s ALA 80 CO 0.24 0.50 0.11 0.12 0.00 0.00 0.00 175.76 176.73 1xs6 s PHE 81 N -1.70 3.17 -0.43 0.00 5.36 0.30 -4.90 117.98 119.78 1xs6 s PHE 81 Ca 0.28 -0.14 -0.21 0.00 -0.96 0.00 0.00 56.93 55.90 1xs6 s PHE 81 Cb -0.10 -2.25 0.02 0.00 -0.34 0.00 0.00 43.02 40.36 1xs6 s PHE 81 CO 0.19 -0.18 0.66 0.71 -1.46 0.00 0.00 175.22 175.14 1xs6 s TYR 82 N 1.39 3.07 -0.49 10.12 1.51 -1.26 -0.05 117.35 131.63 1xs6 s TYR 82 Ca 0.06 0.02 -0.20 0.00 -1.01 0.00 0.00 57.07 55.94 1xs6 s TYR 82 Cb -0.15 -3.36 0.05 0.00 -0.11 0.00 0.00 41.96 38.39 1xs6 s TYR 82 CO 0.05 -0.85 0.65 -1.17 -1.11 0.00 0.00 175.55 173.12 1xs6 s LEU 83 N 2.87 4.78 0.28 -1.29 2.96 -0.30 -4.93 118.68 123.04 1xs6 s LEU 83 Ca 0.24 -0.73 -0.11 0.00 -0.22 0.00 0.00 54.13 53.31 1xs6 s LEU 83 Cb -0.14 -2.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.94 1xs6 s LEU 83 CO 0.19 -0.89 0.62 -1.00 -1.32 0.00 0.00 176.35 173.95 1xs6 s HIS 84 N 2.78 3.42 0.20 5.38 3.76 -1.26 -1.22 115.29 128.35 1xs6 s HIS 84 Ca 0.18 0.96 -0.32 0.00 -0.15 0.00 0.00 55.06 55.73 1xs6 s HIS 84 Cb -0.17 -2.34 -0.15 0.00 1.11 0.00 0.00 32.58 31.03 1xs6 s HIS 84 CO 0.14 0.18 1.15 -2.30 -0.85 0.00 0.00 174.74 173.06 1xs6 n PRO 85 N -0.38 1.26 -1.10 8.40 -0.02 -1.26 -2.44 135.00 139.46 1xs6 n PRO 85 Ca 0.01 0.45 -0.03 0.00 -2.02 0.00 0.00 63.50 61.91 1xs6 n PRO 85 Cb 0.53 -1.93 -0.01 0.00 -0.02 0.00 0.00 33.50 32.06 1xs6 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xs6 n GLY 86 N 1.90 0.64 2.78 -1.23 0.00 -0.31 -5.00 105.19 103.96 1xs6 n GLY 86 Ca 0.14 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 1xs6 n GLY 86 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xs6 n GLU 87 N -2.46 1.68 -1.42 1.61 -0.58 -1.02 -5.00 120.64 113.44 1xs6 n GLU 87 Ca -0.03 -4.33 -0.43 0.00 -0.42 0.00 0.00 57.16 51.95 1xs6 n GLU 87 Cb 0.17 -2.19 -0.00 0.00 -0.57 0.00 0.00 31.44 28.84 1xs6 n GLU 87 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1xs6 n LEU 88 N 1.94 -0.67 -3.52 -4.62 7.94 -1.26 -4.71 117.00 112.10 1xs6 n LEU 88 Ca 0.22 0.94 -0.13 0.00 -1.11 0.00 0.00 56.01 55.93 1xs6 n LEU 88 Cb 0.38 -1.05 -0.04 0.00 0.53 0.00 0.00 43.42 43.23 1xs6 n LEU 88 CO 0.26 -3.06 0.32 0.00 -1.11 0.00 0.00 177.39 173.80 1xs6 s ALA 89 N -1.41 -1.41 0.07 1.96 0.00 -0.85 -4.70 121.76 115.42 1xs6 s ALA 89 Ca 0.62 0.54 0.04 0.00 0.00 0.00 0.00 51.96 53.16 1xs6 s ALA 89 Cb -0.67 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1xs6 s ALA 89 CO 0.59 -0.61 0.02 -0.51 0.00 0.00 0.00 175.76 175.26 1xs6 s LEU 90 N -2.29 3.57 0.00 0.00 1.43 -0.83 -0.57 118.68 119.99 1xs6 s LEU 90 Ca -0.02 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1xs6 s LEU 90 Cb -0.00 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.96 1xs6 s LEU 90 CO -0.06 0.19 0.00 0.00 0.23 0.00 0.00 176.35 176.71 1xs6 n ALA 91 N 0.65 0.00 -3.21 4.21 0.00 -0.34 -1.58 120.51 120.24 1xs6 n ALA 91 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 1xs6 n ALA 91 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 1xs6 n ALA 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xs6 s VAL 92 N -2.51 0.06 0.54 0.00 0.11 -1.24 -0.73 120.40 116.63 1xs6 s VAL 92 Ca 0.00 -0.46 -0.19 0.00 -2.93 0.00 0.00 61.98 58.40 1xs6 s VAL 92 Cb 0.00 -0.78 -0.06 0.00 -1.53 0.00 0.00 36.38 34.01 1xs6 s VAL 92 CO 0.00 -0.25 1.09 0.42 -3.33 0.00 0.00 175.10 173.03 1xs6 s THR 93 N -1.76 3.42 0.08 5.04 -4.23 -0.46 -0.23 115.64 117.50 1xs6 s THR 93 Ca -0.10 0.86 -0.21 0.00 -1.18 0.00 0.00 61.69 61.05 1xs6 s THR 93 Cb -0.03 -3.34 -0.11 0.00 1.34 0.00 0.00 72.50 70.36 1xs6 s THR 93 CO 0.02 -0.22 1.63 0.25 -0.54 0.00 0.00 174.62 175.76 1xs6 h LEU 94 N 1.19 0.18 -9.91 4.79 5.85 -0.30 -3.39 115.31 113.72 1xs6 h LEU 94 Ca -0.49 -0.15 -0.50 0.00 0.84 0.00 0.00 57.88 57.58 1xs6 h LEU 94 Cb 1.24 -0.05 0.04 0.00 0.37 0.00 0.00 40.66 42.26 1xs6 h LEU 94 CO 0.57 0.28 0.48 -1.61 -0.34 0.00 0.00 178.44 177.82 1xs6 s GLU 95 N -5.61 4.24 -0.01 1.25 8.01 -1.26 -4.79 118.70 120.53 1xs6 s GLU 95 Ca -0.14 1.76 -0.12 0.00 0.01 0.00 0.00 54.97 56.49 1xs6 s GLU 95 Cb 0.06 -2.78 -0.05 0.00 -4.31 0.00 0.00 34.13 27.05 1xs6 s GLU 95 CO 0.69 -0.14 0.33 0.45 0.01 0.00 0.00 175.26 176.61 1xs6 s SER 96 N -1.15 6.66 -0.01 -0.19 0.15 -0.10 -4.22 113.70 114.84 1xs6 s SER 96 Ca 0.54 0.79 0.05 0.00 0.70 0.00 0.00 55.95 58.03 1xs6 s SER 96 Cb -0.29 -2.19 -0.01 0.00 -1.71 0.00 0.00 66.02 61.82 1xs6 s SER 96 CO 0.37 0.32 -0.16 -0.69 1.20 0.00 0.00 173.24 174.28 1xs6 s VAL 97 N -1.13 1.25 -0.12 4.45 1.01 -0.23 -1.07 120.40 124.56 1xs6 s VAL 97 Ca 0.23 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1xs6 s VAL 97 Cb -0.15 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.21 1xs6 s VAL 97 CO 0.12 0.35 -0.12 -0.89 0.00 0.00 0.00 175.10 174.57 1xs6 s THR 98 N -0.37 1.30 -0.09 3.92 2.01 0.13 -1.05 115.64 121.49 1xs6 s THR 98 Ca 0.06 -0.49 -0.00 0.00 0.31 0.00 0.00 61.69 61.57 1xs6 s THR 98 Cb -0.06 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 1xs6 s THR 98 CO -0.01 0.41 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.51 1xs6 s LEU 99 N 1.36 3.20 0.98 4.42 1.43 0.77 -1.60 118.68 129.25 1xs6 s LEU 99 Ca 0.00 -0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 52.91 1xs6 s LEU 99 Cb -0.14 -1.72 0.18 0.00 0.03 0.00 0.00 46.19 44.55 1xs6 s LEU 99 CO -0.06 0.32 1.18 -2.16 0.23 0.00 0.00 176.35 175.86 1xs6 s PRO 100 N -0.55 0.53 0.59 1.29 0.04 -1.26 -1.52 135.00 134.13 1xs6 s PRO 100 Ca 0.08 0.01 0.38 0.00 0.04 0.00 0.00 61.00 61.52 1xs6 s PRO 100 Cb -0.12 -1.79 1.83 0.00 0.04 0.00 0.00 34.50 34.46 1xs6 s PRO 100 CO 0.02 -2.56 2.14 0.00 0.04 0.00 0.00 177.00 176.65 1xs6 h ALA 101 N -1.75 1.00 -0.73 8.56 0.00 -1.91 -2.98 119.26 121.45 1xs6 h ALA 101 Ca -0.47 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.19 1xs6 h ALA 101 Cb 1.30 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.94 1xs6 h ALA 101 CO 0.50 0.00 0.29 -0.40 0.00 0.00 0.00 179.25 179.64 1xs6 n ASP 102 N -3.05 4.50 -3.80 0.00 5.75 -1.26 -0.30 116.55 118.39 1xs6 n ASP 102 Ca -0.01 -3.31 -0.13 0.00 -0.01 0.00 0.00 54.79 51.34 1xs6 n ASP 102 Cb 0.19 -0.74 -0.12 0.00 -1.03 0.00 0.00 41.12 39.42 1xs6 n ASP 102 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1xs6 s LEU 103 N -3.05 1.16 0.02 -2.12 2.96 -1.14 -0.81 118.68 115.70 1xs6 s LEU 103 Ca 0.54 0.44 0.08 0.00 -0.22 0.00 0.00 54.13 54.97 1xs6 s LEU 103 Cb 0.44 0.75 -0.03 0.00 0.50 0.00 0.00 46.19 47.85 1xs6 s LEU 103 CO 0.12 -0.08 -0.22 0.54 -1.32 0.00 0.00 176.35 175.39 1xs6 s VAL 104 N 0.12 2.46 0.18 1.68 0.11 -0.08 -3.23 120.40 121.65 1xs6 s VAL 104 Ca -0.00 -1.19 0.06 0.00 -2.93 0.00 0.00 61.98 57.92 1xs6 s VAL 104 Cb -0.02 -1.97 -0.04 0.00 -1.53 0.00 0.00 36.38 32.82 1xs6 s VAL 104 CO 0.00 0.42 0.10 -0.83 -3.33 0.00 0.00 175.10 171.46 1xs6 s GLY 105 N -1.14 1.68 -0.03 6.54 0.00 0.65 -0.31 107.32 114.71 1xs6 s GLY 105 Ca 0.12 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1xs6 s GLY 105 CO 0.02 -1.32 0.01 -0.98 0.00 0.00 0.00 173.10 170.83 1xs6 s TRP 106 N -1.81 0.25 -0.14 1.90 0.52 -0.15 -1.13 118.94 118.38 1xs6 s TRP 106 Ca 0.30 0.03 -0.22 0.00 0.02 0.00 0.00 56.10 56.24 1xs6 s TRP 106 Cb -0.09 -0.38 -0.03 0.00 -1.15 0.00 0.00 33.47 31.81 1xs6 s TRP 106 CO 0.22 -0.13 0.66 -1.17 0.02 0.00 0.00 176.95 176.55 1xs6 s LEU 107 N 1.10 4.23 0.26 2.99 2.96 0.89 -2.13 118.68 128.97 1xs6 s LEU 107 Ca -0.09 1.00 0.06 0.00 -0.22 0.00 0.00 54.13 54.88 1xs6 s LEU 107 Cb -0.13 -2.97 -0.03 0.00 0.50 0.00 0.00 46.19 43.55 1xs6 s LEU 107 CO -0.02 -0.20 0.33 -1.81 -1.32 0.00 0.00 176.35 173.33 1xs6 s ASP 108 N 0.98 6.02 0.00 3.68 1.01 0.15 -4.85 116.67 123.66 1xs6 s ASP 108 Ca 0.33 -0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.51 1xs6 s ASP 108 Cb -0.16 -1.62 0.00 0.00 1.01 0.00 0.00 42.92 42.15 1xs6 s ASP 108 CO 0.13 -0.12 0.00 0.61 0.21 0.00 0.00 175.17 176.00 1xs6 n GLY 109 N -1.38 1.17 2.96 0.21 0.00 -1.26 -1.89 105.19 105.00 1xs6 n GLY 109 Ca -0.07 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 1xs6 n GLY 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xs6 s ARG 110 N 1.15 0.31 0.36 1.61 0.52 -1.26 -3.95 118.95 117.69 1xs6 s ARG 110 Ca 0.00 -0.36 0.05 0.00 -0.52 0.00 0.00 55.73 54.91 1xs6 s ARG 110 Cb 0.00 -0.17 0.70 0.00 0.52 0.00 0.00 34.95 36.00 1xs6 s ARG 110 CO 0.00 0.04 1.95 1.03 0.02 0.00 0.00 175.30 178.33 1xs6 h SER 111 N 5.42 0.48 0.21 0.23 0.87 -1.98 0.37 113.55 119.14 1xs6 h SER 111 Ca -0.30 -0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.16 1xs6 h SER 111 Cb 1.20 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1xs6 h SER 111 CO 0.46 0.48 -0.19 0.28 -0.53 0.00 0.00 176.83 177.33 1xs6 h SER 112 N 0.53 0.00 0.38 6.23 0.02 -1.98 -1.71 113.55 117.01 1xs6 h SER 112 Ca 0.13 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.76 1xs6 h SER 112 Cb 0.18 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1xs6 h SER 112 CO -0.01 0.19 -1.72 -0.07 -1.14 0.00 0.00 176.83 174.09 1xs6 h LEU 113 N 0.00 0.26 -0.66 5.07 3.38 -1.43 -3.35 115.31 118.58 1xs6 h LEU 113 Ca -0.00 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.54 1xs6 h LEU 113 Cb 0.35 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1xs6 h LEU 113 CO 0.03 1.42 0.36 0.00 0.09 0.00 0.00 178.44 180.34 1xs6 h ALA 114 N 0.54 0.88 0.00 1.53 0.00 -0.20 -1.79 119.26 120.23 1xs6 h ALA 114 Ca -0.31 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xs6 h ALA 114 Cb 2.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1xs6 h ALA 114 CO 0.11 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.94 1xs6 n ARG 115 N -4.79 0.34 -0.01 0.00 1.74 -0.66 -1.29 116.66 111.98 1xs6 n ARG 115 Ca 0.08 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1xs6 n ARG 115 Cb 0.17 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.12 1xs6 n ARG 115 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xs6 n LEU 116 N -1.09 2.01 0.00 0.55 4.77 -0.77 -5.04 117.00 117.43 1xs6 n LEU 116 Ca 0.09 -1.97 0.00 0.00 -0.03 0.00 0.00 56.01 54.10 1xs6 n LEU 116 Cb 0.06 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1xs6 n LEU 116 CO 0.08 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1xs6 n GLY 117 N -0.44 0.69 3.54 -0.72 0.00 -0.41 -4.07 105.19 103.79 1xs6 n GLY 117 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1xs6 n GLY 117 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xs6 s LEU 118 N 0.00 4.14 0.11 0.99 2.96 -0.74 0.35 118.68 126.49 1xs6 s LEU 118 Ca 0.00 -0.09 -0.25 0.00 -0.22 0.00 0.00 54.13 53.57 1xs6 s LEU 118 Cb 0.00 -3.01 -0.07 0.00 0.50 0.00 0.00 46.19 43.61 1xs6 s LEU 118 CO 0.00 -1.03 0.78 -0.04 -1.32 0.00 0.00 176.35 174.74 1xs6 s MET 119 N 3.59 4.54 0.00 1.98 -1.94 -0.15 -4.18 119.30 123.14 1xs6 s MET 119 Ca 0.32 1.13 0.18 0.00 -1.71 0.00 0.00 55.69 55.61 1xs6 s MET 119 Cb -0.12 -3.31 0.04 0.00 2.01 0.00 0.00 34.83 33.46 1xs6 s MET 119 CO 0.23 0.44 0.97 1.33 -0.01 0.00 0.00 175.02 177.99 1xs6 n VAL 120 N 2.15 0.00 -3.86 -6.03 0.24 -1.26 -1.90 118.33 107.66 1xs6 n VAL 120 Ca -0.04 -0.37 -0.09 0.00 -2.04 0.00 0.00 64.34 61.80 1xs6 n VAL 120 Cb 0.49 1.27 -0.06 0.00 -1.47 0.00 0.00 33.84 34.07 1xs6 n VAL 120 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 1xs6 s HIS 121 N -1.92 0.18 -0.52 6.34 -3.43 -1.12 -3.62 115.29 111.19 1xs6 s HIS 121 Ca 0.17 -0.55 0.04 0.00 -0.80 0.00 0.00 55.06 53.92 1xs6 s HIS 121 Cb 0.15 0.06 0.13 0.00 -1.43 0.00 0.00 32.58 31.49 1xs6 s HIS 121 CO 0.39 -0.71 0.26 0.08 -2.00 0.00 0.00 174.74 172.76 1xs6 s VAL 122 N -3.91 2.58 -0.41 -5.38 1.01 -1.25 -4.81 120.40 108.24 1xs6 s VAL 122 Ca 0.11 -3.33 -0.07 0.00 0.00 0.00 0.00 61.98 58.69 1xs6 s VAL 122 Cb 0.03 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.62 1xs6 s VAL 122 CO -0.05 -0.80 0.13 0.35 0.00 0.00 0.00 175.10 174.73 1xs6 n THR 123 N 3.09 -0.61 -3.15 3.92 -2.24 -1.26 -4.90 114.28 109.13 1xs6 n THR 123 Ca 0.05 -0.17 0.03 0.00 -2.27 0.00 0.00 64.05 61.69 1xs6 n THR 123 Cb 0.32 -0.54 -0.00 0.00 -2.10 0.00 0.00 70.33 68.01 1xs6 n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xs6 s ALA 124 N -4.14 -2.64 -0.03 6.98 0.00 -1.26 -5.04 121.76 115.62 1xs6 s ALA 124 Ca 0.10 0.73 0.05 0.00 0.00 0.00 0.00 51.96 52.84 1xs6 s ALA 124 Cb -0.05 -2.68 0.08 0.00 0.00 0.00 0.00 23.12 20.46 1xs6 s ALA 124 CO 0.30 -2.06 0.92 -2.39 0.00 0.00 0.00 175.76 172.53 1xs6 n HIS 125 N 4.85 0.00 -3.55 0.00 -0.00 -1.26 -4.88 115.22 110.38 1xs6 n HIS 125 Ca 0.08 -0.39 -0.36 0.00 -0.00 0.00 0.00 57.72 57.04 1xs6 n HIS 125 Cb 0.56 -0.06 -0.07 0.00 -0.00 0.00 0.00 29.99 30.42 1xs6 n HIS 125 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1xs6 s ARG 126 N -1.02 4.20 -0.25 -1.40 3.52 -1.26 -0.08 118.95 122.66 1xs6 s ARG 126 Ca 0.08 0.11 -0.02 0.00 -0.13 0.00 0.00 55.73 55.77 1xs6 s ARG 126 Cb 0.07 -3.40 0.02 0.00 -1.56 0.00 0.00 34.95 30.08 1xs6 s ARG 126 CO 0.01 0.29 -0.05 0.42 -0.81 0.00 0.00 175.30 175.16 1xs6 s ILE 127 N 0.32 3.01 0.41 4.11 -1.09 -0.28 -4.98 121.20 122.70 1xs6 s ILE 127 Ca 0.17 -0.96 -0.20 0.00 -2.23 0.00 0.00 60.65 57.43 1xs6 s ILE 127 Cb -0.13 -2.52 -0.10 0.00 -1.58 0.00 0.00 42.46 38.12 1xs6 s ILE 127 CO 0.04 0.20 0.91 -1.81 -1.23 0.00 0.00 174.94 173.05 1xs6 s ASP 128 N 1.35 6.89 0.16 3.58 1.01 -1.26 -0.25 116.67 128.15 1xs6 s ASP 128 Ca 0.01 1.60 -0.34 0.00 0.71 0.00 0.00 52.55 54.53 1xs6 s ASP 128 Cb -0.17 -2.51 -0.14 0.00 1.01 0.00 0.00 42.92 41.11 1xs6 s ASP 128 CO -0.04 -0.34 1.50 -0.81 0.21 0.00 0.00 175.17 175.69 1xs6 n PRO 129 N -0.63 1.91 -0.60 8.23 -0.04 -1.20 -0.14 135.00 142.54 1xs6 n PRO 129 Ca 0.06 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 1xs6 n PRO 129 Cb 0.54 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1xs6 n PRO 129 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xs6 n GLY 130 N 3.03 0.81 3.77 0.55 0.00 -0.57 -0.65 105.19 112.13 1xs6 n GLY 130 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1xs6 n GLY 130 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xs6 s TRP 131 N -3.21 2.90 -0.19 1.61 -0.11 0.81 -3.38 118.94 117.37 1xs6 s TRP 131 Ca 0.00 1.33 -0.04 0.00 1.22 0.00 0.00 56.10 58.61 1xs6 s TRP 131 Cb 0.00 -3.79 0.09 0.00 -1.50 0.00 0.00 33.47 28.27 1xs6 s TRP 131 CO 0.00 -2.24 0.29 0.45 -4.62 0.00 0.00 176.95 170.83 1xs6 s SER 132 N -0.36 0.63 0.00 5.86 0.15 -1.25 -0.16 113.70 118.57 1xs6 s SER 132 Ca 0.50 0.25 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1xs6 s SER 132 Cb -0.42 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1xs6 s SER 132 CO 0.56 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.33 1xs6 n GLY 133 N 5.35 2.69 3.77 9.45 0.00 -0.21 -3.89 105.19 122.34 1xs6 n GLY 133 Ca -0.05 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 1xs6 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs6 s ILE 135 N -1.51 5.32 0.02 0.00 1.01 -1.26 -4.74 121.20 120.04 1xs6 s ILE 135 Ca 0.67 0.34 -0.30 0.00 0.00 0.00 0.00 60.65 61.36 1xs6 s ILE 135 Cb -0.31 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1xs6 s ILE 135 CO 0.37 0.34 1.03 -0.69 0.00 0.00 0.00 174.94 175.99 1xs6 s VAL 136 N 0.94 4.67 -0.15 2.92 1.01 -1.26 -1.36 120.40 127.17 1xs6 s VAL 136 Ca 0.11 1.92 -0.05 0.00 0.00 0.00 0.00 61.98 63.96 1xs6 s VAL 136 Cb -0.13 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1xs6 s VAL 136 CO 0.04 0.15 0.03 -0.76 0.00 0.00 0.00 175.10 174.56 1xs6 s LEU 137 N 1.00 3.66 -0.50 3.92 1.43 0.09 -4.95 118.68 123.33 1xs6 s LEU 137 Ca 0.53 0.06 -0.09 0.00 -1.03 0.00 0.00 54.13 53.60 1xs6 s LEU 137 Cb -0.23 -1.89 0.13 0.00 0.03 0.00 0.00 46.19 44.22 1xs6 s LEU 137 CO 0.28 0.23 0.38 0.00 0.23 0.00 0.00 176.35 177.47 1xs6 s ALA 138 N 0.05 3.45 -0.00 4.21 0.00 -1.24 -1.20 121.76 127.03 1xs6 s ALA 138 Ca 0.04 -2.61 -0.19 0.00 0.00 0.00 0.00 51.96 49.20 1xs6 s ALA 138 Cb -0.13 -2.87 -0.06 0.00 0.00 0.00 0.00 23.12 20.07 1xs6 s ALA 138 CO 0.01 -1.94 0.53 -0.06 0.00 0.00 0.00 175.76 174.30 1xs6 s PHE 139 N 1.25 3.70 -0.04 0.00 2.99 0.27 -2.81 117.98 123.33 1xs6 s PHE 139 Ca 0.07 1.13 -0.00 0.00 0.00 0.00 0.00 56.93 58.12 1xs6 s PHE 139 Cb -0.25 -2.50 0.03 0.00 0.00 0.00 0.00 43.02 40.29 1xs6 s PHE 139 CO -0.01 0.45 0.00 -0.47 -0.00 0.00 0.00 175.22 175.19 1xs6 s TYR 140 N -0.50 0.43 -0.56 0.36 5.04 -0.80 -2.00 117.35 119.33 1xs6 s TYR 140 Ca 0.28 -0.04 -0.22 0.00 -2.44 0.00 0.00 57.07 54.66 1xs6 s TYR 140 Cb -0.18 -0.56 0.06 0.00 0.35 0.00 0.00 41.96 41.63 1xs6 s TYR 140 CO 0.16 -0.20 0.82 1.21 -1.34 0.00 0.00 175.55 176.19 1xs6 s ASN 141 N 1.45 6.26 0.00 4.32 3.84 -1.26 -0.98 114.94 128.57 1xs6 s ASN 141 Ca -0.04 -0.75 0.20 0.00 0.21 0.00 0.00 52.86 52.48 1xs6 s ASN 141 Cb -0.13 -2.37 0.86 0.00 -0.55 0.00 0.00 41.25 39.06 1xs6 s ASN 141 CO -0.03 -1.14 1.60 -1.54 -2.79 0.00 0.00 177.10 173.19 1xs6 n SER 142 N 6.98 1.08 -1.78 -4.21 3.41 0.15 -1.16 113.62 118.10 1xs6 n SER 142 Ca -0.03 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.96 1xs6 n SER 142 Cb 0.46 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1xs6 n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xs6 n GLY 143 N 1.01 0.95 0.01 5.00 0.00 -1.26 -4.86 105.19 106.03 1xs6 n GLY 143 Ca 0.15 -1.96 0.09 0.00 0.00 0.00 0.00 46.02 44.30 1xs6 n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xs6 n LYS 144 N -0.79 0.74 -5.20 1.61 4.76 -1.26 -4.64 118.16 113.38 1xs6 n LYS 144 Ca 0.00 -0.12 -0.31 0.00 -2.87 0.00 0.00 58.31 55.02 1xs6 n LYS 144 Cb 0.00 -1.40 -0.16 0.00 -1.84 0.00 0.00 35.03 31.64 1xs6 n LYS 144 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1xs6 s LEU 145 N -3.85 2.08 0.53 -0.35 1.43 -1.26 -4.93 118.68 112.32 1xs6 s LEU 145 Ca -0.03 -0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 52.37 1xs6 s LEU 145 Cb 0.12 -1.32 -0.08 0.00 0.03 0.00 0.00 46.19 44.95 1xs6 s LEU 145 CO 0.74 0.30 0.93 -2.65 0.23 0.00 0.00 176.35 175.90 1xs6 n PRO 146 N 2.27 1.04 -4.42 1.29 -0.02 -1.26 -4.59 135.00 129.31 1xs6 n PRO 146 Ca -0.16 0.39 -0.27 0.00 -2.02 0.00 0.00 63.50 61.43 1xs6 n PRO 146 Cb 0.51 -2.06 -0.17 0.00 -0.02 0.00 0.00 33.50 31.76 1xs6 n PRO 146 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xs6 s LEU 147 N -1.07 1.63 -0.15 2.45 1.43 -0.36 -4.97 118.68 117.63 1xs6 s LEU 147 Ca 0.70 -0.38 -0.23 0.00 -1.03 0.00 0.00 54.13 53.19 1xs6 s LEU 147 Cb -0.47 -0.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 1xs6 s LEU 147 CO 0.52 0.00 0.74 0.00 0.23 0.00 0.00 176.35 177.84 1xs6 s ALA 148 N 0.99 3.48 -0.16 4.21 0.00 -1.26 -1.16 121.76 127.86 1xs6 s ALA 148 Ca -0.07 -0.04 -0.07 0.00 0.00 0.00 0.00 51.96 51.78 1xs6 s ALA 148 Cb -0.15 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1xs6 s ALA 148 CO -0.01 -0.49 0.08 -0.51 0.00 0.00 0.00 175.76 174.83 1xs6 s LEU 149 N 1.75 3.94 -0.08 0.00 1.43 0.93 -4.91 118.68 121.73 1xs6 s LEU 149 Ca 0.35 0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.67 1xs6 s LEU 149 Cb -0.17 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.07 1xs6 s LEU 149 CO 0.13 0.23 -0.24 -0.13 0.23 0.00 0.00 176.35 176.57 1xs6 s ARG 150 N 0.01 2.74 0.19 1.70 0.52 -1.26 -0.54 118.95 122.32 1xs6 s ARG 150 Ca 0.07 -0.87 -0.32 0.00 -0.52 0.00 0.00 55.73 54.08 1xs6 s ARG 150 Cb -0.12 -2.19 -0.15 0.00 0.52 0.00 0.00 34.95 33.02 1xs6 s ARG 150 CO 0.01 0.27 1.28 -2.30 0.02 0.00 0.00 175.30 174.58 1xs6 n PRO 151 N 3.25 1.54 0.00 3.54 -0.02 -1.26 -1.61 135.00 140.44 1xs6 n PRO 151 Ca -0.18 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1xs6 n PRO 151 Cb 0.52 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1xs6 n PRO 151 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xs6 n GLY 152 N 2.15 0.99 3.77 -1.23 0.00 0.14 -4.99 105.19 106.03 1xs6 n GLY 152 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1xs6 n GLY 152 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1xs6 s MET 153 N -0.84 3.30 0.14 1.61 0.23 -0.63 -4.61 119.30 118.50 1xs6 s MET 153 Ca 0.00 1.63 -0.31 0.00 -1.03 0.00 0.00 55.69 55.98 1xs6 s MET 153 Cb 0.00 -2.00 -0.10 0.00 -1.53 0.00 0.00 34.83 31.20 1xs6 s MET 153 CO 0.00 -0.89 1.73 -0.51 -2.03 0.00 0.00 175.02 173.31 1xs6 s LEU 154 N -3.85 4.38 0.00 0.18 1.43 -1.26 -0.44 118.68 119.11 1xs6 s LEU 154 Ca 0.73 2.71 0.00 0.00 -1.03 0.00 0.00 54.13 56.54 1xs6 s LEU 154 Cb -0.24 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1xs6 s LEU 154 CO 0.28 -0.95 0.00 0.00 0.23 0.00 0.00 176.35 175.91 1xs6 n ILE 155 N 4.45 0.00 -3.20 -0.59 0.13 -0.13 -4.84 119.36 115.18 1xs6 n ILE 155 Ca 0.16 -0.38 0.00 0.00 -1.10 0.00 0.00 62.75 61.44 1xs6 n ILE 155 Cb 0.38 0.91 0.00 0.00 -0.84 0.00 0.00 39.64 40.09 1xs6 n ILE 155 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1xs6 n GLY 156 N 1.13 -1.39 3.13 4.50 0.00 -1.18 -4.47 105.19 106.90 1xs6 n GLY 156 Ca 0.00 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 1xs6 n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs6 s ALA 157 N -1.09 0.11 -0.06 4.61 0.00 -0.79 -0.87 121.76 123.66 1xs6 s ALA 157 Ca 0.00 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.20 1xs6 s ALA 157 Cb 0.00 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.44 1xs6 s ALA 157 CO 0.00 -0.39 -0.22 -0.51 0.00 0.00 0.00 175.76 174.64 1xs6 s LEU 158 N -2.60 2.02 0.28 0.00 1.43 -0.37 0.34 118.68 119.77 1xs6 s LEU 158 Ca 0.02 -0.48 0.11 0.00 -1.03 0.00 0.00 54.13 52.75 1xs6 s LEU 158 Cb 0.04 -1.26 -0.05 0.00 0.03 0.00 0.00 46.19 44.94 1xs6 s LEU 158 CO -0.08 0.19 -0.17 -0.94 0.23 0.00 0.00 176.35 175.58 1xs6 s SER 159 N 0.04 3.46 -0.01 2.29 1.04 -0.91 -1.38 113.70 118.25 1xs6 s SER 159 Ca -0.08 -1.06 0.01 0.00 0.48 0.00 0.00 55.95 55.30 1xs6 s SER 159 Cb -0.14 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.70 1xs6 s SER 159 CO 0.05 -0.04 -0.03 -0.36 0.98 0.00 0.00 173.24 173.84 1xs6 s PHE 160 N -2.60 0.31 -0.18 5.02 0.40 -1.26 -0.98 117.98 118.70 1xs6 s PHE 160 Ca 0.29 -0.05 -0.01 0.00 -0.60 0.00 0.00 56.93 56.56 1xs6 s PHE 160 Cb -0.03 -0.25 0.05 0.00 0.51 0.00 0.00 43.02 43.30 1xs6 s PHE 160 CO 0.14 -0.04 -0.01 -2.00 0.70 0.00 0.00 175.22 174.01 1xs6 s GLU 161 N 0.17 1.08 0.30 0.44 2.12 0.57 -1.46 118.70 121.92 1xs6 s GLU 161 Ca -0.01 -0.48 -0.30 0.00 0.36 0.00 0.00 54.97 54.53 1xs6 s GLU 161 Cb -0.04 -2.02 -0.12 0.00 0.26 0.00 0.00 34.13 32.20 1xs6 s GLU 161 CO -0.00 -0.52 1.47 -2.30 -0.54 0.00 0.00 175.26 173.36 1xs6 n PRO 162 N 4.94 2.39 -1.93 4.30 -0.02 -1.25 -0.90 135.00 142.52 1xs6 n PRO 162 Ca -0.10 0.85 -0.29 0.00 -2.02 0.00 0.00 63.50 61.93 1xs6 n PRO 162 Cb 0.47 -2.55 0.06 0.00 -0.02 0.00 0.00 33.50 31.47 1xs6 n PRO 162 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xs6 s LEU 163 N -0.62 2.74 0.57 2.45 1.43 0.01 -4.86 118.68 120.40 1xs6 s LEU 163 Ca 0.62 0.93 0.35 0.00 -1.03 0.00 0.00 54.13 55.00 1xs6 s LEU 163 Cb -0.55 -3.60 1.64 0.00 0.03 0.00 0.00 46.19 43.71 1xs6 s LEU 163 CO 0.54 -1.58 2.09 0.77 0.23 0.00 0.00 176.35 178.40 1xs6 h SER 164 N -0.80 0.00 -1.76 2.29 4.64 -1.95 -3.45 113.55 112.53 1xs6 h SER 164 Ca -0.45 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 60.96 1xs6 h SER 164 Cb 1.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 1xs6 h SER 164 CO 0.64 0.04 0.35 0.61 -0.87 0.00 0.00 176.83 177.60 1xs6 n GLY 165 N -0.38 0.89 3.71 -0.77 0.00 -1.26 -5.13 105.19 102.25 1xs6 n GLY 165 Ca -0.01 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1xs6 n GLY 165 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xs6 s PRO 166 N -2.03 4.23 0.20 1.61 0.02 -1.26 -4.63 135.00 133.14 1xs6 s PRO 166 Ca 0.14 2.30 -0.33 0.00 0.02 0.00 0.00 61.00 63.13 1xs6 s PRO 166 Cb -0.02 -3.30 -0.13 0.00 0.02 0.00 0.00 34.50 31.07 1xs6 s PRO 166 CO 0.03 -0.61 1.61 0.00 -0.33 0.00 0.00 177.00 177.70 1xs6 n ALA 167 N 4.44 1.94 0.07 -1.55 0.00 0.59 -4.91 120.51 121.10 1xs6 n ALA 167 Ca 0.14 0.42 -0.06 0.00 0.00 0.00 0.00 53.44 53.94 1xs6 n ALA 167 Cb 0.40 -2.41 0.12 0.00 0.00 0.00 0.00 19.45 17.56 1xs6 n ALA 167 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xs6 h VAL 168 N 3.57 1.36 -2.22 0.00 2.07 -1.92 -3.36 116.25 115.75 1xs6 h VAL 168 Ca -0.45 -1.87 -0.59 0.00 0.82 0.00 0.00 66.70 64.61 1xs6 h VAL 168 Cb 1.24 1.91 -0.41 0.00 -1.52 0.00 0.00 31.29 32.50 1xs6 h VAL 168 CO 0.88 0.56 -0.68 0.54 0.02 0.00 0.00 177.57 178.89 1xs6 n ARG 169 N -3.91 2.14 -1.35 1.57 1.74 -1.26 -5.09 116.66 110.49 1xs6 n ARG 169 Ca -0.02 -4.39 -0.30 0.00 -0.77 0.00 0.00 57.85 52.36 1xs6 n ARG 169 Cb 0.59 -2.07 0.10 0.00 -1.02 0.00 0.00 32.46 30.06 1xs6 n ARG 169 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1xs6 s PRO 170 N -2.15 1.97 0.23 5.56 0.04 -1.26 -4.81 135.00 134.57 1xs6 s PRO 170 Ca 0.38 0.90 -0.08 0.00 0.04 0.00 0.00 61.00 62.24 1xs6 s PRO 170 Cb 0.14 -1.88 0.22 0.00 0.04 0.00 0.00 34.50 33.01 1xs6 s PRO 170 CO -0.04 -1.77 1.89 -0.92 0.04 0.00 0.00 177.00 176.21 1xs6 h TYR 171 N -1.21 1.07 0.00 0.56 3.20 -1.13 -2.42 116.97 117.04 1xs6 h TYR 171 Ca -0.46 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.41 1xs6 h TYR 171 Cb 1.25 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 1xs6 h TYR 171 CO 0.51 0.65 -0.09 -2.95 -1.64 0.00 0.00 178.16 174.64 1xs6 h ASN 172 N 1.14 0.00 -0.01 -2.11 -1.07 -1.78 -2.42 115.58 109.33 1xs6 h ASN 172 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.70 1xs6 h ASN 172 Cb -0.09 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.16 1xs6 h ASN 172 CO -0.08 0.09 -0.76 0.54 0.07 0.00 0.00 177.43 177.29 1xs6 n ARG 173 N -3.46 0.63 -2.49 4.14 1.74 -0.99 -4.95 116.66 111.28 1xs6 n ARG 173 Ca -0.01 -0.43 -0.43 0.00 -0.77 0.00 0.00 57.85 56.20 1xs6 n ARG 173 Cb 0.24 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.19 1xs6 n ARG 173 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xs6 s ARG 174 N -2.73 4.06 0.42 5.56 3.52 -0.91 -4.90 118.95 123.96 1xs6 s ARG 174 Ca 0.12 1.33 0.19 0.00 -0.13 0.00 0.00 55.73 57.24 1xs6 s ARG 174 Cb 0.17 -3.80 0.93 0.00 -1.56 0.00 0.00 34.95 30.69 1xs6 s ARG 174 CO 0.72 -0.92 1.88 1.05 -0.81 0.00 0.00 175.30 177.22 1xs6 h GLU 175 N 8.60 0.00 -0.66 5.12 9.09 -1.92 -1.81 114.58 133.00 1xs6 h GLU 175 Ca -0.24 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.17 1xs6 h GLU 175 Cb 1.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.19 1xs6 h GLU 175 CO 1.01 0.29 0.00 -0.40 0.05 0.00 0.00 179.01 179.96 1xs6 n ASP 176 N -3.81 4.87 -4.75 3.06 5.75 -1.26 -4.94 116.55 115.48 1xs6 n ASP 176 Ca -0.01 -2.49 -0.41 0.00 -0.01 0.00 0.00 54.79 51.87 1xs6 n ASP 176 Cb 0.38 -0.59 -0.02 0.00 -1.03 0.00 0.00 41.12 39.85 1xs6 n ASP 176 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xs6 s ALA 177 N -1.93 3.58 -0.00 2.12 0.00 -0.68 -4.94 121.76 119.90 1xs6 s ALA 177 Ca 0.52 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.76 1xs6 s ALA 177 Cb 0.34 -3.53 -0.25 0.00 0.00 0.00 0.00 23.12 19.68 1xs6 s ALA 177 CO 0.24 -0.68 0.82 0.87 0.00 0.00 0.00 175.76 177.02 1xs6 h LYS 178 N 4.88 0.16 -0.20 0.00 1.57 -1.92 -3.42 116.57 117.65 1xs6 h LYS 178 Ca -0.46 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.02 1xs6 h LYS 178 Cb 1.22 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 1xs6 h LYS 178 CO 0.76 0.95 -0.03 0.66 -0.57 0.00 0.00 179.45 181.22 1xs6 n TYR 179 N -3.34 0.69 -1.86 -1.35 4.02 -1.26 -5.04 117.16 109.02 1xs6 n TYR 179 Ca -0.16 -1.05 -0.36 0.00 -0.01 0.00 0.00 57.90 56.32 1xs6 n TYR 179 Cb 1.03 -0.30 0.05 0.00 -0.02 0.00 0.00 39.34 40.11 1xs6 n TYR 179 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1xs6 s ARG 180 N -2.93 2.73 -0.71 -0.72 0.52 -1.26 -3.46 118.95 113.12 1xs6 s ARG 180 Ca 0.40 1.95 -0.03 0.00 -0.52 0.00 0.00 55.73 57.53 1xs6 s ARG 180 Cb 0.34 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.93 1xs6 s ARG 180 CO 0.05 -1.42 0.54 -1.71 0.02 0.00 0.00 175.30 172.77 1xs6 n ASN 181 N -1.78 -4.28 -4.65 0.23 5.15 -1.25 -4.93 115.26 103.76 1xs6 n ASN 181 Ca 0.15 -0.81 -0.40 0.00 -0.60 0.00 0.00 54.58 52.92 1xs6 n ASN 181 Cb 0.49 -1.41 -0.07 0.00 -0.53 0.00 0.00 39.78 38.27 1xs6 n ASN 181 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1xs6 s GLN 182 N -4.44 4.16 0.00 1.20 0.74 -1.23 -4.96 119.66 115.13 1xs6 s GLN 182 Ca 0.03 0.43 0.00 0.00 0.05 0.00 0.00 55.36 55.87 1xs6 s GLN 182 Cb -0.00 -3.59 0.00 0.00 1.10 0.00 0.00 33.01 30.51 1xs6 s GLN 182 CO 0.79 -0.24 0.56 0.00 -0.55 0.00 0.00 175.29 175.86 1xs6 n GLN 183 N 5.10 0.53 -0.19 1.67 0.00 -1.26 -3.14 117.38 120.09 1xs6 n GLN 183 Ca -0.04 -0.72 0.00 0.00 0.00 0.00 0.00 57.00 56.25 1xs6 n GLN 183 Cb 0.50 -0.84 0.00 0.00 0.00 0.00 0.00 30.24 29.90 1xs6 n GLN 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xs6 n GLY 184 N -0.15 2.43 2.88 2.61 0.00 -1.26 -5.04 105.19 106.65 1xs6 n GLY 184 Ca 0.00 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1xs6 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs6 n ALA 185 N -3.00 4.72 -2.16 4.61 0.00 -1.26 -4.78 120.51 118.64 1xs6 n ALA 185 Ca 0.00 -3.68 -0.42 0.00 0.00 0.00 0.00 53.44 49.34 1xs6 n ALA 185 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 15.85 1xs6 n ALA 185 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xs6 s VAL 186 N 3.91 3.42 0.78 0.00 1.01 -1.26 -4.72 120.40 123.54 1xs6 s VAL 186 Ca 0.51 0.93 -0.11 0.00 0.00 0.00 0.00 61.98 63.32 1xs6 s VAL 186 Cb 0.14 -3.60 0.06 0.00 0.00 0.00 0.00 36.38 32.98 1xs6 s VAL 186 CO -0.01 0.03 1.09 0.00 0.00 0.00 0.00 175.10 176.21 1xs6 s ALA 187 N 1.79 2.22 0.23 5.51 0.00 -1.26 -4.95 121.76 125.30 1xs6 s ALA 187 Ca 0.66 0.21 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 1xs6 s ALA 187 Cb -0.35 -3.25 -0.15 0.00 0.00 0.00 0.00 23.12 19.37 1xs6 s ALA 187 CO 0.29 -1.77 1.10 0.45 0.00 0.00 0.00 175.76 175.82 1xs6 n SER 188 N -3.52 1.37 -1.87 0.00 2.88 -1.26 -4.89 113.62 106.33 1xs6 n SER 188 Ca 0.09 1.16 -0.21 0.00 -1.33 0.00 0.00 58.87 58.57 1xs6 n SER 188 Cb 0.53 -1.26 0.08 0.00 -0.75 0.00 0.00 64.21 62.82 1xs6 n SER 188 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xs6 n ARG 189 N 1.30 2.93 0.21 -1.46 1.74 -1.26 -4.75 116.66 115.37 1xs6 n ARG 189 Ca 0.12 -3.71 0.15 0.00 -0.77 0.00 0.00 57.85 53.65 1xs6 n ARG 189 Cb 0.28 -2.16 0.80 0.00 -1.02 0.00 0.00 32.46 30.36 1xs6 n ARG 189 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1xs6 h ILE 190 N 1.59 0.61 0.00 0.55 6.09 -1.96 -1.97 117.51 122.42 1xs6 h ILE 190 Ca 0.39 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.88 1xs6 h ILE 190 Cb 1.38 0.89 0.00 0.00 0.47 0.00 0.00 36.82 39.56 1xs6 h ILE 190 CO 0.86 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 175.04 1xs6 n ASP 191 N -4.02 0.42 -0.32 2.19 5.75 -1.26 -2.29 116.55 117.02 1xs6 n ASP 191 Ca 0.01 0.65 0.13 0.00 -0.01 0.00 0.00 54.79 55.57 1xs6 n ASP 191 Cb 0.27 -0.72 0.38 0.00 -1.03 0.00 0.00 41.12 40.02 1xs6 n ASP 191 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1xs6 n LYS 192 N -2.02 1.06 0.00 0.11 5.02 -0.74 -4.79 118.16 116.80 1xs6 n LYS 192 Ca 0.00 -0.65 0.00 0.00 -2.02 0.00 0.00 58.31 55.65 1xs6 n LYS 192 Cb 0.10 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1xs6 n LYS 192 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63