#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 4.33 0.03 2.12 1.81 -1.26 -3.87 118.95 122.12 1xs6 s ARG 2 Ca 0.00 0.87 -0.33 0.00 -1.72 0.00 0.00 55.73 54.55 1xs6 s ARG 2 Cb 0.00 -3.26 -0.12 0.00 -0.45 0.00 0.00 34.95 31.12 1xs6 s ARG 2 CO 0.00 0.58 1.78 1.28 -0.68 0.00 0.00 175.30 178.25 1xs6 n LEU 3 N 1.83 3.44 -4.74 2.53 4.77 -0.21 -5.00 117.00 119.63 1xs6 n LEU 3 Ca -0.08 1.01 -0.29 0.00 -0.03 0.00 0.00 56.01 56.62 1xs6 n LEU 3 Cb 0.50 -1.42 0.15 0.00 -2.33 0.00 0.00 43.42 40.32 1xs6 n LEU 3 CO 0.43 -0.09 0.68 0.00 -1.33 0.00 0.00 177.39 177.08 1xs6 h ASP 5 N -1.62 0.46 0.28 0.00 3.04 -1.39 0.13 116.42 117.31 1xs6 h ASP 5 Ca -0.52 0.06 -0.11 0.00 -3.24 0.00 0.00 57.03 53.22 1xs6 h ASP 5 Cb 1.32 -0.01 -0.01 0.00 -1.04 0.00 0.00 39.33 39.59 1xs6 h ASP 5 CO 0.59 0.25 -0.45 -0.09 -2.04 0.00 0.00 179.24 177.50 1xs6 h ARG 6 N 0.60 0.22 -0.01 4.15 1.12 -1.93 -1.13 114.38 117.39 1xs6 h ARG 6 Ca 0.36 -0.11 -0.20 0.00 -1.11 0.00 0.00 59.98 58.92 1xs6 h ARG 6 Cb 0.39 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.35 1xs6 h ARG 6 CO -0.28 0.63 -0.86 -0.44 -3.11 0.00 0.00 179.97 175.91 1xs6 h ASP 7 N 0.18 0.34 -0.64 -3.80 3.32 -1.77 -2.13 116.42 111.91 1xs6 h ASP 7 Ca 0.01 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 56.82 1xs6 h ASP 7 Cb 0.88 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.28 1xs6 h ASP 7 CO 0.07 1.05 0.40 0.40 -1.72 0.00 0.00 179.24 179.44 1xs6 h ILE 8 N 0.16 1.08 -0.49 0.35 2.04 -0.19 0.22 117.51 120.68 1xs6 h ILE 8 Ca -0.05 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1xs6 h ILE 8 Cb 1.48 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1xs6 h ILE 8 CO 0.14 0.14 0.32 -0.33 0.00 0.00 0.00 178.15 178.42 1xs6 h GLU 9 N 0.78 0.65 0.20 2.37 5.08 -1.21 -1.34 114.58 121.11 1xs6 h GLU 9 Ca 0.26 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1xs6 h GLU 9 Cb 0.01 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1xs6 h GLU 9 CO -0.10 0.44 -0.09 0.00 -1.00 0.00 0.00 179.01 178.25 1xs6 h ALA 10 N 1.17 -0.26 -0.82 3.43 0.00 -0.95 0.20 119.26 122.03 1xs6 h ALA 10 Ca 0.18 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1xs6 h ALA 10 Cb -0.07 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1xs6 h ALA 10 CO -0.04 -0.62 0.47 -1.49 0.00 0.00 0.00 179.25 177.57 1xs6 h TRP 11 N -0.32 0.85 -0.60 0.00 4.06 -0.90 0.37 115.95 119.41 1xs6 h TRP 11 Ca -0.03 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 60.91 1xs6 h TRP 11 Cb 0.25 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 1xs6 h TRP 11 CO -0.05 0.35 0.19 -0.07 -3.56 0.00 0.00 178.44 175.30 1xs6 h LEU 12 N 0.79 0.87 -0.33 -4.49 3.38 -0.94 -0.81 115.31 113.78 1xs6 h LEU 12 Ca 0.40 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1xs6 h LEU 12 Cb 0.37 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1xs6 h LEU 12 CO -0.25 0.84 0.22 0.44 0.09 0.00 0.00 178.44 179.78 1xs6 h ASP 13 N 0.85 0.38 0.73 -0.43 3.32 0.34 -2.62 116.42 118.99 1xs6 h ASP 13 Ca 0.19 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1xs6 h ASP 13 Cb 0.28 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1xs6 h ASP 13 CO -0.01 0.27 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.33 1xs6 h GLU 14 N 0.44 0.00 0.00 3.56 3.07 -0.81 -3.47 114.58 117.37 1xs6 h GLU 14 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1xs6 h GLU 14 Cb -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1xs6 h GLU 14 CO -0.03 0.13 0.00 0.41 -1.40 0.00 0.00 179.01 178.12 1xs6 n GLY 15 N -0.19 0.79 0.15 -3.84 0.00 -0.32 -4.92 105.19 96.86 1xs6 n GLY 15 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1xs6 n GLY 15 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1xs6 h ARG 16 N 3.64 0.43 -6.44 1.61 2.43 -1.87 -3.40 114.38 110.79 1xs6 h ARG 16 Ca 0.00 -0.37 -0.53 0.00 -0.81 0.00 0.00 59.98 58.26 1xs6 h ARG 16 Cb 0.00 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1xs6 h ARG 16 CO 0.00 1.02 0.35 -1.17 -1.51 0.00 0.00 179.97 178.65 1xs6 s LEU 17 N -8.57 4.41 -0.01 3.80 2.96 -1.26 -4.14 118.68 115.87 1xs6 s LEU 17 Ca -0.13 1.67 0.02 0.00 -0.22 0.00 0.00 54.13 55.47 1xs6 s LEU 17 Cb 0.04 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.19 1xs6 s LEU 17 CO 0.81 -0.18 -0.08 -0.44 -1.32 0.00 0.00 176.35 175.13 1xs6 s SER 18 N 0.66 1.05 -0.08 3.68 0.01 -0.48 -4.29 113.70 114.25 1xs6 s SER 18 Ca 0.49 -0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.61 1xs6 s SER 18 Cb -0.22 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 65.83 1xs6 s SER 18 CO 0.28 0.08 -0.13 -0.63 0.41 0.00 0.00 173.24 173.25 1xs6 s ILE 19 N -0.00 1.25 -0.13 1.44 1.01 -1.26 0.08 121.20 123.58 1xs6 s ILE 19 Ca 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 1xs6 s ILE 19 Cb -0.06 -1.14 0.05 0.00 0.01 0.00 0.00 42.46 41.32 1xs6 s ILE 19 CO -0.00 0.38 0.03 0.20 0.00 0.00 0.00 174.94 175.55 1xs6 s ASN 20 N 0.75 2.20 0.68 3.58 0.02 0.62 -2.53 114.94 120.27 1xs6 s ASN 20 Ca -0.13 -0.45 -0.12 0.00 -1.02 0.00 0.00 52.86 51.15 1xs6 s ASN 20 Cb -0.16 -0.47 0.00 0.00 0.02 0.00 0.00 41.25 40.65 1xs6 s ASN 20 CO 0.03 -0.26 1.06 -2.16 0.02 0.00 0.00 177.10 175.79 1xs6 s PRO 21 N 1.96 2.93 -0.24 -0.60 0.04 -1.26 -0.89 135.00 136.94 1xs6 s PRO 21 Ca 0.02 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.80 1xs6 s PRO 21 Cb -0.15 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.41 1xs6 s PRO 21 CO -0.07 -1.11 1.10 0.50 0.04 0.00 0.00 177.00 177.46 1xs6 s ARG 22 N -4.83 4.20 0.49 4.56 3.52 -1.05 -4.89 118.95 120.96 1xs6 s ARG 22 Ca 0.60 1.35 -0.23 0.00 -0.13 0.00 0.00 55.73 57.32 1xs6 s ARG 22 Cb -0.15 -3.69 -0.07 0.00 -1.56 0.00 0.00 34.95 29.48 1xs6 s ARG 22 CO 0.51 -0.72 1.23 -2.30 -0.81 0.00 0.00 175.30 173.22 1xs6 n PRO 23 N 6.52 1.63 -1.10 5.12 -0.02 -1.26 -4.98 135.00 140.91 1xs6 n PRO 23 Ca 0.12 0.59 -0.29 0.00 -2.02 0.00 0.00 63.50 61.91 1xs6 n PRO 23 Cb 0.46 -2.39 0.20 0.00 -0.02 0.00 0.00 33.50 31.76 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 -2.52 -0.27 0.32 0.52 0.04 -1.26 -4.86 135.00 126.96 1xs6 s PRO 24 Ca 0.67 0.32 0.02 0.00 0.04 0.00 0.00 61.00 62.05 1xs6 s PRO 24 Cb -0.46 -1.67 0.60 0.00 0.04 0.00 0.00 34.50 33.01 1xs6 s PRO 24 CO 0.53 -3.16 1.93 -0.24 0.04 0.00 0.00 177.00 176.10 1xs6 h VAL 25 N -2.20 1.05 0.00 -0.36 3.04 -1.94 -1.17 116.25 114.68 1xs6 h VAL 25 Ca -0.52 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 1xs6 h VAL 25 Cb 1.32 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 1xs6 h VAL 25 CO 0.50 0.17 0.00 -0.62 -1.01 0.00 0.00 177.57 176.61 1xs6 n GLU 26 N -4.49 0.10 -0.09 4.17 4.71 -1.26 -2.15 120.64 121.63 1xs6 n GLU 26 Ca 0.13 0.51 0.05 0.00 -0.01 0.00 0.00 57.16 57.83 1xs6 n GLU 26 Cb 0.21 -1.76 0.10 0.00 -1.01 0.00 0.00 31.44 28.98 1xs6 n GLU 26 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1xs6 n ARG 27 N -1.95 1.79 -3.99 3.49 5.12 -0.45 -4.86 116.66 115.81 1xs6 n ARG 27 Ca 0.00 -1.60 -0.33 0.00 -1.93 0.00 0.00 57.85 53.99 1xs6 n ARG 27 Cb 0.08 -1.22 -0.14 0.00 -1.16 0.00 0.00 32.46 30.02 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 -0.92 2.54 0.02 0.55 1.01 -0.91 -0.66 121.20 122.83 1xs6 s ILE 28 Ca 0.17 -1.59 -0.24 0.00 0.00 0.00 0.00 60.65 58.99 1xs6 s ILE 28 Cb 0.10 -2.51 0.05 0.00 0.01 0.00 0.00 42.46 40.11 1xs6 s ILE 28 CO 0.13 -0.11 0.55 0.54 0.00 0.00 0.00 174.94 176.05 1xs6 s ASN 29 N 1.17 -0.48 1.27 3.58 2.20 -0.72 -4.91 114.94 117.05 1xs6 s ASN 29 Ca -0.06 0.31 0.00 0.00 -0.94 0.00 0.00 52.86 52.17 1xs6 s ASN 29 Cb -0.20 0.49 0.00 0.00 -2.00 0.00 0.00 41.25 39.54 1xs6 s ASN 29 CO -0.04 -0.67 0.00 0.61 -2.94 0.00 0.00 177.10 174.06 1xs6 n GLY 30 N 0.60 1.15 1.10 0.45 0.00 -1.26 -1.93 105.19 105.30 1xs6 n GLY 30 Ca -0.19 0.31 0.04 0.00 0.00 0.00 0.00 46.02 46.18 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 8.13 2.52 -2.19 4.61 0.00 -1.26 -1.03 120.51 131.29 1xs6 n ALA 31 Ca 0.00 -2.30 -0.09 0.00 0.00 0.00 0.00 53.44 51.05 1xs6 n ALA 31 Cb 0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.71 0.13 -0.13 0.00 -4.23 -0.81 -4.37 115.64 105.51 1xs6 s THR 32 Ca 0.29 -1.83 0.01 0.00 -1.18 0.00 0.00 61.69 58.98 1xs6 s THR 32 Cb 0.31 -1.88 -0.00 0.00 1.34 0.00 0.00 72.50 72.27 1xs6 s THR 32 CO -0.11 -0.59 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.51 1xs6 s VAL 33 N -4.01 2.57 0.42 2.29 1.01 -0.02 -1.75 120.40 120.92 1xs6 s VAL 33 Ca 0.19 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 61.10 1xs6 s VAL 33 Cb 0.07 -2.06 -0.08 0.00 0.00 0.00 0.00 36.38 34.32 1xs6 s VAL 33 CO -0.02 0.53 1.19 -1.81 0.00 0.00 0.00 175.10 175.00 1xs6 s ASP 34 N 0.54 6.37 0.17 3.32 1.01 0.17 -1.22 116.67 127.03 1xs6 s ASP 34 Ca -0.11 2.39 0.09 0.00 0.71 0.00 0.00 52.55 55.64 1xs6 s ASP 34 Cb -0.16 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.11 1xs6 s ASP 34 CO 0.04 -0.78 -0.20 0.68 0.21 0.00 0.00 175.17 175.12 1xs6 s VAL 35 N -1.42 1.93 0.28 -1.27 -7.23 0.07 -4.90 120.40 107.85 1xs6 s VAL 35 Ca 0.59 -1.93 0.11 0.00 -1.81 0.00 0.00 61.98 58.94 1xs6 s VAL 35 Cb -0.32 -1.89 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 1xs6 s VAL 35 CO 0.39 -0.26 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.67 1xs6 s ARG 36 N -2.73 1.92 0.29 4.82 0.52 -1.26 -0.54 118.95 121.97 1xs6 s ARG 36 Ca 0.16 -1.63 -0.29 0.00 -0.52 0.00 0.00 55.73 53.45 1xs6 s ARG 36 Cb -0.06 -1.92 -0.09 0.00 0.52 0.00 0.00 34.95 33.39 1xs6 s ARG 36 CO 0.07 0.34 1.05 -1.17 0.02 0.00 0.00 175.30 175.61 1xs6 s LEU 37 N -3.58 4.51 0.00 2.53 2.96 0.87 -0.87 118.68 125.10 1xs6 s LEU 37 Ca 0.31 2.14 0.00 0.00 -0.22 0.00 0.00 54.13 56.36 1xs6 s LEU 37 Cb -0.05 -3.71 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1xs6 s LEU 37 CO 0.17 -0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.70 1xs6 n GLY 38 N 1.13 0.71 0.00 7.98 0.00 0.21 -0.46 105.19 114.76 1xs6 n GLY 38 Ca -0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1xs6 n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xs6 n ASN 39 N 0.00 1.39 -4.55 1.61 6.94 -1.26 -4.22 115.26 115.17 1xs6 n ASN 39 Ca 0.00 -1.62 -0.35 0.00 -0.02 0.00 0.00 54.58 52.59 1xs6 n ASN 39 Cb 0.00 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.31 1xs6 n ASN 39 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1xs6 s LYS 40 N -0.62 3.81 0.19 -3.83 1.02 -1.26 -3.00 119.74 116.05 1xs6 s LYS 40 Ca 0.00 -0.43 0.05 0.00 0.02 0.00 0.00 55.97 55.61 1xs6 s LYS 40 Cb 0.00 -3.14 -0.05 0.00 -0.52 0.00 0.00 37.83 34.13 1xs6 s LYS 40 CO 0.00 0.17 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.47 1xs6 s PHE 41 N 0.62 1.48 0.04 3.18 0.40 0.16 -3.39 117.98 120.45 1xs6 s PHE 41 Ca 0.01 -0.78 0.01 0.00 -0.60 0.00 0.00 56.93 55.57 1xs6 s PHE 41 Cb -0.14 -0.79 -0.02 0.00 0.51 0.00 0.00 43.02 42.58 1xs6 s PHE 41 CO 0.02 0.09 -0.05 1.03 0.70 0.00 0.00 175.22 177.01 1xs6 s ARG 42 N -3.77 0.45 0.33 0.44 0.52 -0.49 0.14 118.95 116.56 1xs6 s ARG 42 Ca 0.22 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.68 1xs6 s ARG 42 Cb 0.03 -0.04 -0.01 0.00 0.52 0.00 0.00 34.95 35.46 1xs6 s ARG 42 CO 0.05 -0.02 0.07 0.25 0.02 0.00 0.00 175.30 175.67 1xs6 n THR 43 N 1.30 0.00 -5.11 0.02 -2.24 -1.26 -1.80 114.28 105.19 1xs6 n THR 43 Ca -0.22 -1.78 -0.32 0.00 -2.27 0.00 0.00 64.05 59.46 1xs6 n THR 43 Cb 0.56 0.53 -0.15 0.00 -2.10 0.00 0.00 70.33 69.16 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 -2.56 2.56 -0.67 4.78 0.40 -1.26 -0.61 117.98 120.62 1xs6 s PHE 44 Ca 0.09 -0.61 -0.10 0.00 -0.60 0.00 0.00 56.93 55.71 1xs6 s PHE 44 Cb 0.00 -1.65 0.17 0.00 0.51 0.00 0.00 43.02 42.06 1xs6 s PHE 44 CO 0.07 -0.14 0.56 1.03 0.70 0.00 0.00 175.22 177.43 1xs6 s ARG 45 N -0.17 3.02 0.33 0.44 0.52 0.51 -4.91 118.95 118.68 1xs6 s ARG 45 Ca -0.02 -2.26 0.16 0.00 -0.52 0.00 0.00 55.73 53.08 1xs6 s ARG 45 Cb -0.14 -4.12 0.51 0.00 0.52 0.00 0.00 34.95 31.72 1xs6 s ARG 45 CO 0.04 -1.24 1.66 0.78 0.02 0.00 0.00 175.30 176.55 1xs6 h GLY 46 N 7.83 0.00 1.87 -3.53 0.00 -1.92 -3.28 103.07 104.05 1xs6 h GLY 46 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1xs6 h GLY 46 CO 0.79 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 174.94 1xs6 n HIS 47 N -3.59 0.00 1.00 5.60 1.44 -1.26 -2.58 115.22 115.84 1xs6 n HIS 47 Ca -0.00 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 1xs6 n HIS 47 Cb 0.57 -0.43 0.25 0.00 0.12 0.00 0.00 29.99 30.49 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 -1.43 0.00 -3.70 0.61 -2.24 -1.24 -4.92 114.28 101.35 1xs6 n THR 48 Ca 0.04 -0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.69 1xs6 n THR 48 Cb 0.14 0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.56 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 -2.99 -0.94 0.05 6.98 0.00 -1.06 -4.94 121.76 118.86 1xs6 s ALA 49 Ca 0.11 0.34 -0.07 0.00 0.00 0.00 0.00 51.96 52.34 1xs6 s ALA 49 Cb 0.18 0.22 -0.30 0.00 0.00 0.00 0.00 23.12 23.21 1xs6 s ALA 49 CO 0.70 -0.37 1.06 0.00 0.00 0.00 0.00 175.76 177.14 1xs6 h ALA 50 N 3.33 0.05 -2.12 0.00 0.00 -1.91 -3.47 119.26 115.14 1xs6 h ALA 50 Ca -0.30 -0.92 0.22 0.00 0.00 0.00 0.00 54.91 53.91 1xs6 h ALA 50 Cb 1.19 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.99 1xs6 h ALA 50 CO 0.42 0.92 0.58 -0.59 0.00 0.00 0.00 179.25 180.59 1xs6 s PHE 51 N -2.63 -0.10 -0.18 0.00 -0.12 -1.26 -5.13 117.98 108.56 1xs6 s PHE 51 Ca -0.06 -0.16 -0.04 0.00 -0.05 0.00 0.00 56.93 56.62 1xs6 s PHE 51 Cb 0.06 0.62 -0.02 0.00 -0.63 0.00 0.00 43.02 43.05 1xs6 s PHE 51 CO 0.90 -0.69 -0.04 0.42 -0.05 0.00 0.00 175.22 175.76 1xs6 s ILE 52 N -3.01 3.69 -0.75 -4.49 1.01 -1.26 -5.02 121.20 111.37 1xs6 s ILE 52 Ca 0.13 -0.41 -0.20 0.00 0.00 0.00 0.00 60.65 60.17 1xs6 s ILE 52 Cb 0.00 -2.64 0.11 0.00 0.01 0.00 0.00 42.46 39.95 1xs6 s ILE 52 CO 0.01 0.47 0.94 -0.62 0.00 0.00 0.00 174.94 175.74 1xs6 s ASP 53 N 0.76 6.38 0.00 3.58 -1.08 -1.26 -4.91 116.67 120.14 1xs6 s ASP 53 Ca -0.02 -1.61 0.11 0.00 -0.52 0.00 0.00 52.55 50.51 1xs6 s ASP 53 Cb -0.15 -2.37 0.64 0.00 -1.46 0.00 0.00 42.92 39.59 1xs6 s ASP 53 CO 0.02 -1.16 1.07 0.18 0.52 0.00 0.00 175.17 175.80 1xs6 n LEU 54 N 6.66 0.00 -1.66 -1.34 4.77 -1.26 -2.19 117.00 121.98 1xs6 n LEU 54 Ca 0.06 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.05 1xs6 n LEU 54 Cb 0.46 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.56 1xs6 n LEU 54 CO 0.55 0.00 0.15 -1.20 -1.33 0.00 0.00 177.39 175.57 1xs6 n SER 55 N -0.87 0.48 -4.43 -1.43 7.64 -1.26 -5.00 113.62 108.75 1xs6 n SER 55 Ca 0.08 -2.02 -0.22 0.00 1.01 0.00 0.00 58.87 57.73 1xs6 n SER 55 Cb 0.04 -0.13 0.11 0.00 -1.01 0.00 0.00 64.21 63.22 1xs6 n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xs6 n GLY 56 N 0.09 0.72 3.67 0.23 0.00 -0.93 -5.00 105.19 103.96 1xs6 n GLY 56 Ca -0.03 -2.04 -0.48 0.00 0.00 0.00 0.00 46.02 43.47 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 -2.72 2.00 -0.17 1.61 -0.02 -1.26 -4.79 135.00 129.65 1xs6 n PRO 57 Ca 0.16 0.73 0.27 0.00 -2.02 0.00 0.00 63.50 62.64 1xs6 n PRO 57 Cb 0.56 -2.50 0.71 0.00 -0.02 0.00 0.00 33.50 32.24 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 6.89 0.03 -0.02 -0.52 3.64 -1.95 -0.52 116.57 124.13 1xs6 h LYS 58 Ca -0.46 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1xs6 h LYS 58 Cb 1.27 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1xs6 h LYS 58 CO 0.90 0.02 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.63 1xs6 h ASP 59 N 0.03 0.07 -0.32 4.20 3.32 -1.93 -2.14 116.42 119.65 1xs6 h ASP 59 Ca 0.42 -0.54 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 1xs6 h ASP 59 Cb 1.62 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 41.13 1xs6 h ASP 59 CO -0.02 0.59 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.66 1xs6 h GLU 60 N -0.45 0.75 -0.06 3.56 5.08 -1.53 -2.31 114.58 119.61 1xs6 h GLU 60 Ca 0.00 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1xs6 h GLU 60 Cb 0.58 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1xs6 h GLU 60 CO 0.01 0.83 -0.05 0.28 -1.00 0.00 0.00 179.01 179.07 1xs6 h VAL 61 N 0.68 1.36 -0.56 3.13 2.07 -1.21 -1.65 116.25 120.07 1xs6 h VAL 61 Ca 0.12 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.49 1xs6 h VAL 61 Cb 0.57 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 1xs6 h VAL 61 CO 0.04 0.32 0.37 -1.28 0.02 0.00 0.00 177.57 177.04 1xs6 h SER 62 N -0.29 0.59 -0.04 0.57 0.87 -1.38 -1.06 113.55 112.81 1xs6 h SER 62 Ca 0.01 -0.01 -0.25 0.00 -1.23 0.00 0.00 61.79 60.31 1xs6 h SER 62 Cb 0.54 -0.14 0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1xs6 h SER 62 CO 0.01 0.42 -0.94 0.00 -0.53 0.00 0.00 176.83 175.79 1xs6 h ALA 63 N 1.67 0.21 -0.73 6.23 0.00 -1.27 -2.62 119.26 122.75 1xs6 h ALA 63 Ca 0.22 -0.66 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1xs6 h ALA 63 Cb 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1xs6 h ALA 63 CO -0.05 0.69 0.23 0.00 0.00 0.00 0.00 179.25 180.12 1xs6 h ALA 64 N 0.48 1.03 -0.38 0.00 0.00 -0.83 -2.37 119.26 117.19 1xs6 h ALA 64 Ca -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1xs6 h ALA 64 Cb 1.58 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1xs6 h ALA 64 CO 0.19 0.65 0.25 -0.07 0.00 0.00 0.00 179.25 180.27 1xs6 h LEU 65 N 1.08 0.43 -1.38 0.00 3.38 -1.23 -2.24 115.31 115.35 1xs6 h LEU 65 Ca 0.24 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 1xs6 h LEU 65 Cb 0.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1xs6 h LEU 65 CO -0.01 0.32 -0.31 0.44 0.09 0.00 0.00 178.44 178.97 1xs6 h ASP 66 N 0.51 0.00 -0.06 -0.43 3.32 -1.10 -2.34 116.42 116.32 1xs6 h ASP 66 Ca 0.14 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.94 1xs6 h ASP 66 Cb -0.05 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.51 1xs6 h ASP 66 CO -0.03 0.31 -0.94 0.03 -1.72 0.00 0.00 179.24 176.89 1xs6 h ARG 67 N 0.00 0.74 0.00 3.56 3.08 -1.24 -3.35 114.38 117.16 1xs6 h ARG 67 Ca -0.00 -0.72 -0.07 0.00 0.07 0.00 0.00 59.98 59.26 1xs6 h ARG 67 Cb 0.56 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1xs6 h ARG 67 CO 0.04 1.30 -0.47 -0.39 -1.07 0.00 0.00 179.97 179.38 1xs6 h VAL 68 N 0.44 0.50 -3.40 2.04 -1.51 -1.16 -3.43 116.25 109.73 1xs6 h VAL 68 Ca -0.10 -1.73 -0.55 0.00 -1.23 0.00 0.00 66.70 63.09 1xs6 h VAL 68 Cb 1.59 2.19 -0.04 0.00 -2.13 0.00 0.00 31.29 32.89 1xs6 h VAL 68 CO 0.19 0.28 0.15 -0.04 -1.23 0.00 0.00 177.57 176.92 1xs6 s MET 69 N -3.06 4.48 0.84 5.19 -1.94 -0.90 0.19 119.30 124.09 1xs6 s MET 69 Ca 0.04 1.03 -0.11 0.00 -1.71 0.00 0.00 55.69 54.94 1xs6 s MET 69 Cb 0.07 -3.40 0.10 0.00 2.01 0.00 0.00 34.83 33.61 1xs6 s MET 69 CO 0.73 0.18 1.10 -1.54 -0.01 0.00 0.00 175.02 175.48 1xs6 s SER 70 N 0.33 3.86 0.79 3.03 1.04 0.22 -4.85 113.70 118.13 1xs6 s SER 70 Ca 0.39 1.73 -0.14 0.00 0.48 0.00 0.00 55.95 58.42 1xs6 s SER 70 Cb -0.20 -2.39 0.05 0.00 0.10 0.00 0.00 66.02 63.58 1xs6 s SER 70 CO 0.22 -2.43 1.05 0.47 0.98 0.00 0.00 173.24 173.52 1xs6 n ASP 71 N -3.77 0.55 -4.71 7.02 9.92 -1.26 -4.71 116.55 119.59 1xs6 n ASP 71 Ca 0.08 0.59 -0.42 0.00 -0.53 0.00 0.00 54.79 54.52 1xs6 n ASP 71 Cb 0.54 -1.45 -0.03 0.00 -0.64 0.00 0.00 41.12 39.54 1xs6 n ASP 71 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1xs6 s GLU 72 N -3.79 4.17 -0.15 -1.24 2.12 -1.26 -4.69 118.70 113.85 1xs6 s GLU 72 Ca 0.72 2.48 -0.17 0.00 0.36 0.00 0.00 54.97 58.36 1xs6 s GLU 72 Cb -0.30 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1xs6 s GLU 72 CO 0.52 -0.70 0.44 0.42 -0.54 0.00 0.00 175.26 175.40 1xs6 s ILE 73 N 1.44 5.19 -0.13 -3.70 1.01 0.12 -4.93 121.20 120.20 1xs6 s ILE 73 Ca 0.73 0.85 0.01 0.00 0.00 0.00 0.00 60.65 62.25 1xs6 s ILE 73 Cb -0.46 -3.78 -0.01 0.00 0.01 0.00 0.00 42.46 38.22 1xs6 s ILE 73 CO 0.32 0.30 -0.17 -0.69 0.00 0.00 0.00 174.94 174.70 1xs6 s VAL 74 N 0.90 2.62 0.00 2.92 1.01 -1.26 -0.67 120.40 125.92 1xs6 s VAL 74 Ca 0.23 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 1xs6 s VAL 74 Cb -0.15 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.10 1xs6 s VAL 74 CO 0.09 0.53 0.57 -0.76 0.00 0.00 0.00 175.10 175.53 1xs6 s LEU 75 N 0.53 4.43 1.10 3.92 1.43 -1.16 -5.07 118.68 123.86 1xs6 s LEU 75 Ca -0.11 1.15 -0.15 0.00 -1.03 0.00 0.00 54.13 53.99 1xs6 s LEU 75 Cb -0.16 -2.88 0.24 0.00 0.03 0.00 0.00 46.19 43.41 1xs6 s LEU 75 CO 0.04 0.14 1.08 -1.81 0.23 0.00 0.00 176.35 176.03 1xs6 s ASP 76 N -0.36 1.70 -0.42 2.29 -0.00 -1.26 -4.87 116.67 113.75 1xs6 s ASP 76 Ca 0.30 1.07 -0.44 0.00 -0.00 0.00 0.00 52.55 53.48 1xs6 s ASP 76 Cb -0.18 -1.65 -0.18 0.00 -0.00 0.00 0.00 42.92 40.91 1xs6 s ASP 76 CO 0.17 -3.69 1.73 1.21 -0.00 0.00 0.00 175.17 174.59 1xs6 n GLU 77 N -4.53 0.42 -1.20 8.23 2.13 -1.26 -1.40 120.64 123.04 1xs6 n GLU 77 Ca 0.07 0.15 -0.07 0.00 0.66 0.00 0.00 57.16 57.97 1xs6 n GLU 77 Cb 0.58 -1.74 -0.03 0.00 0.27 0.00 0.00 31.44 30.52 1xs6 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xs6 n GLY 78 N 4.52 0.83 3.79 8.31 0.00 -1.26 -5.00 105.19 116.39 1xs6 n GLY 78 Ca 0.32 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.23 4.44 0.10 1.61 2.02 -0.49 -5.09 118.70 119.07 1xs6 s GLU 79 Ca 0.00 1.08 0.02 0.00 0.02 0.00 0.00 54.97 56.09 1xs6 s GLU 79 Cb 0.00 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 31.20 1xs6 s GLU 79 CO 0.00 0.43 0.19 0.00 0.02 0.00 0.00 175.26 175.90 1xs6 s ALA 80 N -1.42 3.85 -0.31 5.21 0.00 -1.26 -4.61 121.76 123.22 1xs6 s ALA 80 Ca 0.42 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 51.30 1xs6 s ALA 80 Cb -0.19 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 1xs6 s ALA 80 CO 0.23 0.70 0.20 0.12 0.00 0.00 0.00 175.76 177.01 1xs6 s PHE 81 N -1.58 3.21 -0.52 0.00 5.36 0.51 -4.92 117.98 120.04 1xs6 s PHE 81 Ca 0.33 -0.15 -0.22 0.00 -0.96 0.00 0.00 56.93 55.93 1xs6 s PHE 81 Cb -0.12 -2.40 0.04 0.00 -0.34 0.00 0.00 43.02 40.20 1xs6 s PHE 81 CO 0.26 -0.30 0.79 0.71 -1.46 0.00 0.00 175.22 175.23 1xs6 s TYR 82 N 1.71 2.93 -0.50 10.12 1.51 -1.26 -0.43 117.35 131.43 1xs6 s TYR 82 Ca 0.06 -0.19 -0.22 0.00 -1.01 0.00 0.00 57.07 55.71 1xs6 s TYR 82 Cb -0.17 -3.78 0.04 0.00 -0.11 0.00 0.00 41.96 37.94 1xs6 s TYR 82 CO 0.10 -1.16 0.77 -1.17 -1.11 0.00 0.00 175.55 172.97 1xs6 s LEU 83 N 3.32 4.45 0.24 -1.29 2.96 -0.17 -4.92 118.68 123.27 1xs6 s LEU 83 Ca 0.24 -0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 53.57 1xs6 s LEU 83 Cb -0.15 -2.73 -0.08 0.00 0.50 0.00 0.00 46.19 43.73 1xs6 s LEU 83 CO 0.17 -0.99 0.61 -1.00 -1.32 0.00 0.00 176.35 173.81 1xs6 s HIS 84 N 3.25 3.46 -0.11 5.38 3.76 -1.26 -1.33 115.29 128.43 1xs6 s HIS 84 Ca 0.25 1.02 -0.38 0.00 -0.15 0.00 0.00 55.06 55.80 1xs6 s HIS 84 Cb -0.15 -2.37 -0.16 0.00 1.11 0.00 0.00 32.58 31.02 1xs6 s HIS 84 CO 0.18 0.26 1.59 -2.30 -0.85 0.00 0.00 174.74 173.61 1xs6 n PRO 85 N 0.02 1.23 -0.17 8.40 -0.02 -1.26 -2.19 135.00 141.00 1xs6 n PRO 85 Ca 0.00 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1xs6 n PRO 85 Cb 0.52 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 3.53 0.59 3.72 -1.23 0.00 -0.49 -5.03 105.19 106.28 1xs6 n GLY 86 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 1xs6 n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xs6 s GLU 87 N -0.83 3.43 -0.17 1.61 0.41 -0.93 -4.99 118.70 117.24 1xs6 s GLU 87 Ca 0.00 -0.31 -0.12 0.00 -0.41 0.00 0.00 54.97 54.13 1xs6 s GLU 87 Cb 0.00 -3.04 -0.05 0.00 -1.78 0.00 0.00 34.13 29.26 1xs6 s GLU 87 CO 0.00 0.59 0.23 -1.17 -0.49 0.00 0.00 175.26 174.42 1xs6 s LEU 88 N -0.54 4.25 0.09 1.80 2.96 -1.26 -3.38 118.68 122.60 1xs6 s LEU 88 Ca 0.10 0.42 0.03 0.00 -0.22 0.00 0.00 54.13 54.47 1xs6 s LEU 88 Cb -0.12 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 1xs6 s LEU 88 CO 0.02 0.16 -0.09 0.00 -1.32 0.00 0.00 176.35 175.12 1xs6 s ALA 89 N 0.27 0.98 -0.08 5.97 0.00 -0.15 -4.70 121.76 124.07 1xs6 s ALA 89 Ca 0.14 -1.16 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 1xs6 s ALA 89 Cb -0.12 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1xs6 s ALA 89 CO 0.02 -0.09 0.06 -0.51 0.00 0.00 0.00 175.76 175.24 1xs6 s LEU 90 N -2.46 3.90 0.00 0.00 1.43 -0.75 0.60 118.68 121.40 1xs6 s LEU 90 Ca 0.05 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1xs6 s LEU 90 Cb -0.02 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1xs6 s LEU 90 CO -0.01 0.37 0.00 0.00 0.23 0.00 0.00 176.35 176.93 1xs6 n ALA 91 N 1.89 0.00 -3.23 4.21 0.00 0.23 -1.40 120.51 122.21 1xs6 n ALA 91 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 1xs6 n ALA 91 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.98 0.06 0.60 0.00 0.11 -1.22 -1.48 120.40 116.49 1xs6 s VAL 92 Ca 0.00 -0.49 -0.15 0.00 -2.93 0.00 0.00 61.98 58.41 1xs6 s VAL 92 Cb 0.00 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 1xs6 s VAL 92 CO 0.00 -0.27 1.06 0.42 -3.33 0.00 0.00 175.10 172.98 1xs6 s THR 93 N -1.33 3.78 0.08 5.04 -4.23 -0.03 0.68 115.64 119.63 1xs6 s THR 93 Ca -0.14 0.83 -0.28 0.00 -1.18 0.00 0.00 61.69 60.92 1xs6 s THR 93 Cb -0.05 -3.36 -0.17 0.00 1.34 0.00 0.00 72.50 70.26 1xs6 s THR 93 CO 0.04 -0.51 1.68 0.25 -0.54 0.00 0.00 174.62 175.54 1xs6 h LEU 94 N 0.36 -0.39 -9.86 4.79 5.85 -1.16 -3.38 115.31 111.51 1xs6 h LEU 94 Ca -0.47 0.01 -0.48 0.00 0.84 0.00 0.00 57.88 57.79 1xs6 h LEU 94 Cb 1.22 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 1xs6 h LEU 94 CO 0.57 -0.28 0.36 -1.61 -0.34 0.00 0.00 178.44 177.14 1xs6 s GLU 95 N -6.12 4.60 -0.12 1.25 8.01 -1.26 -4.77 118.70 120.28 1xs6 s GLU 95 Ca -0.15 1.40 -0.06 0.00 0.01 0.00 0.00 54.97 56.16 1xs6 s GLU 95 Cb 0.05 -2.89 -0.04 0.00 -4.31 0.00 0.00 34.13 26.94 1xs6 s GLU 95 CO 0.64 0.28 0.12 0.45 0.01 0.00 0.00 175.26 176.76 1xs6 s SER 96 N -1.49 6.23 -0.00 -0.19 0.15 -0.06 -4.18 113.70 114.16 1xs6 s SER 96 Ca 0.49 0.42 0.06 0.00 0.70 0.00 0.00 55.95 57.62 1xs6 s SER 96 Cb -0.21 -1.99 -0.02 0.00 -1.71 0.00 0.00 66.02 62.09 1xs6 s SER 96 CO 0.27 0.40 -0.19 -0.69 1.20 0.00 0.00 173.24 174.22 1xs6 s VAL 97 N -0.97 1.54 -0.13 4.45 1.01 -0.30 -0.28 120.40 125.72 1xs6 s VAL 97 Ca 0.15 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 1xs6 s VAL 97 Cb -0.12 -1.30 0.03 0.00 0.00 0.00 0.00 36.38 34.99 1xs6 s VAL 97 CO 0.04 0.38 -0.08 -0.89 0.00 0.00 0.00 175.10 174.54 1xs6 s THR 98 N -0.53 1.14 -0.11 3.92 2.01 0.11 -1.38 115.64 120.79 1xs6 s THR 98 Ca 0.07 -0.44 -0.03 0.00 0.31 0.00 0.00 61.69 61.61 1xs6 s THR 98 Cb -0.08 -1.18 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1xs6 s THR 98 CO -0.00 0.31 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.47 1xs6 s LEU 99 N 1.65 3.48 1.02 4.42 1.43 -0.04 -1.39 118.68 129.25 1xs6 s LEU 99 Ca 0.04 0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 53.04 1xs6 s LEU 99 Cb -0.13 -1.81 0.21 0.00 0.03 0.00 0.00 46.19 44.48 1xs6 s LEU 99 CO -0.08 0.31 1.20 -2.16 0.23 0.00 0.00 176.35 175.84 1xs6 s PRO 100 N -0.47 0.24 0.60 1.29 0.04 -1.26 -1.45 135.00 133.99 1xs6 s PRO 100 Ca 0.08 -0.09 0.37 0.00 0.04 0.00 0.00 61.00 61.40 1xs6 s PRO 100 Cb -0.12 -1.77 1.88 0.00 0.04 0.00 0.00 34.50 34.53 1xs6 s PRO 100 CO 0.02 -2.73 2.19 0.00 0.04 0.00 0.00 177.00 176.52 1xs6 h ALA 101 N -1.88 1.09 -0.51 8.56 0.00 -1.91 -2.67 119.26 121.93 1xs6 h ALA 101 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xs6 h ALA 101 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xs6 h ALA 101 CO 0.44 0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.33 1xs6 n ASP 102 N -3.24 4.65 -4.08 0.00 5.75 -1.26 0.13 116.55 118.49 1xs6 n ASP 102 Ca -0.02 -2.66 -0.21 0.00 -0.01 0.00 0.00 54.79 51.90 1xs6 n ASP 102 Cb 0.18 -0.56 -0.15 0.00 -1.03 0.00 0.00 41.12 39.55 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 -2.22 2.04 0.03 -2.12 2.96 -1.02 -1.16 118.68 117.19 1xs6 s LEU 103 Ca 0.47 -0.25 0.07 0.00 -0.22 0.00 0.00 54.13 54.20 1xs6 s LEU 103 Cb 0.33 -0.63 -0.03 0.00 0.50 0.00 0.00 46.19 46.37 1xs6 s LEU 103 CO 0.18 0.14 -0.19 0.54 -1.32 0.00 0.00 176.35 175.70 1xs6 s VAL 104 N -0.35 2.72 0.09 1.68 0.11 -0.44 -2.88 120.40 121.33 1xs6 s VAL 104 Ca 0.04 -1.16 0.06 0.00 -2.93 0.00 0.00 61.98 58.00 1xs6 s VAL 104 Cb -0.05 -2.12 -0.04 0.00 -1.53 0.00 0.00 36.38 32.64 1xs6 s VAL 104 CO -0.00 0.38 -0.09 -0.83 -3.33 0.00 0.00 175.10 171.22 1xs6 s GLY 105 N -1.31 1.79 -0.07 6.54 0.00 0.92 -0.71 107.32 114.47 1xs6 s GLY 105 Ca 0.14 -1.20 0.02 0.00 0.00 0.00 0.00 44.72 43.67 1xs6 s GLY 105 CO 0.04 -1.16 -0.11 -0.98 0.00 0.00 0.00 173.10 170.88 1xs6 s TRP 106 N -1.18 1.45 -0.29 1.90 0.52 0.66 0.80 118.94 122.81 1xs6 s TRP 106 Ca 0.21 -0.57 -0.18 0.00 0.02 0.00 0.00 56.10 55.59 1xs6 s TRP 106 Cb -0.11 -1.09 -0.02 0.00 -1.15 0.00 0.00 33.47 31.10 1xs6 s TRP 106 CO 0.13 -0.31 0.50 -1.17 0.02 0.00 0.00 176.95 176.11 1xs6 s LEU 107 N 0.83 4.12 0.28 2.99 2.96 -0.37 -1.62 118.68 127.87 1xs6 s LEU 107 Ca -0.12 0.35 0.07 0.00 -0.22 0.00 0.00 54.13 54.22 1xs6 s LEU 107 Cb -0.15 -2.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.89 1xs6 s LEU 107 CO 0.02 -0.32 0.23 -1.81 -1.32 0.00 0.00 176.35 173.15 1xs6 s ASP 108 N 1.62 5.49 0.00 3.68 1.01 0.66 -4.84 116.67 124.28 1xs6 s ASP 108 Ca 0.20 -0.31 0.00 0.00 0.71 0.00 0.00 52.55 53.15 1xs6 s ASP 108 Cb -0.16 -1.29 0.00 0.00 1.01 0.00 0.00 42.92 42.48 1xs6 s ASP 108 CO 0.10 -0.13 0.00 0.61 0.21 0.00 0.00 175.17 175.96 1xs6 n GLY 109 N -1.25 1.13 3.02 0.21 0.00 -1.26 -0.81 105.19 106.22 1xs6 n GLY 109 Ca -0.06 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 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 1.50 0.21 0.34 1.61 0.52 -1.26 -3.86 118.95 118.01 1xs6 s ARG 110 Ca 0.00 0.05 0.03 0.00 -0.52 0.00 0.00 55.73 55.29 1xs6 s ARG 110 Cb 0.00 0.09 0.65 0.00 0.52 0.00 0.00 34.95 36.21 1xs6 s ARG 110 CO 0.00 -0.03 1.97 1.03 0.02 0.00 0.00 175.30 178.28 1xs6 h SER 111 N 5.63 0.75 -0.27 0.23 0.87 -1.99 0.63 113.55 119.40 1xs6 h SER 111 Ca -0.26 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 1xs6 h SER 111 Cb 1.20 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 1xs6 h SER 111 CO 0.42 0.51 0.14 0.28 -0.53 0.00 0.00 176.83 177.65 1xs6 h SER 112 N 0.86 0.38 0.25 6.23 0.02 -1.99 -2.04 113.55 117.26 1xs6 h SER 112 Ca 0.30 -0.03 -0.34 0.00 -0.84 0.00 0.00 61.79 60.88 1xs6 h SER 112 Cb 0.11 -0.10 0.04 0.00 0.14 0.00 0.00 62.40 62.58 1xs6 h SER 112 CO -0.09 0.34 -1.53 -0.07 -1.14 0.00 0.00 176.83 174.34 1xs6 h LEU 113 N 0.43 0.82 -1.00 5.07 3.38 -1.66 -3.33 115.31 119.02 1xs6 h LEU 113 Ca 0.11 -0.92 0.17 0.00 0.09 0.00 0.00 57.88 57.33 1xs6 h LEU 113 Cb 0.07 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 40.45 1xs6 h LEU 113 CO -0.01 1.73 0.61 0.00 0.09 0.00 0.00 178.44 180.86 1xs6 h ALA 114 N 0.14 1.63 0.00 1.53 0.00 -0.62 -1.13 119.26 120.81 1xs6 h ALA 114 Ca -0.27 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1xs6 h ALA 114 Cb 2.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1xs6 h ALA 114 CO 0.26 0.01 0.00 0.54 0.00 0.00 0.00 179.25 180.07 1xs6 n ARG 115 N -4.74 0.50 -0.09 0.00 1.74 -0.79 -1.26 116.66 112.03 1xs6 n ARG 115 Ca 0.22 0.04 0.03 0.00 -0.77 0.00 0.00 57.85 57.38 1xs6 n ARG 115 Cb 0.52 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.54 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 -1.16 2.39 -0.01 0.55 4.77 -0.50 -5.02 117.00 118.03 1xs6 n LEU 116 Ca 0.14 -1.86 -0.00 0.00 -0.03 0.00 0.00 56.01 54.25 1xs6 n LEU 116 Cb 0.14 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1xs6 n LEU 116 CO 0.15 0.59 -0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1xs6 n GLY 117 N 0.12 0.48 3.59 -0.72 0.00 -0.39 -4.02 105.19 104.25 1xs6 n GLY 117 Ca 0.06 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.02 3.67 0.10 0.99 2.96 -0.79 0.05 118.68 125.65 1xs6 s LEU 118 Ca 0.00 0.40 -0.22 0.00 -0.22 0.00 0.00 54.13 54.09 1xs6 s LEU 118 Cb 0.00 -3.49 -0.07 0.00 0.50 0.00 0.00 46.19 43.13 1xs6 s LEU 118 CO 0.00 -1.24 0.66 -0.04 -1.32 0.00 0.00 176.35 174.41 1xs6 s MET 119 N 4.39 4.36 0.00 1.98 -1.94 0.08 -4.17 119.30 124.00 1xs6 s MET 119 Ca 0.46 0.91 0.11 0.00 -1.71 0.00 0.00 55.69 55.47 1xs6 s MET 119 Cb -0.07 -3.26 -0.02 0.00 2.01 0.00 0.00 34.83 33.49 1xs6 s MET 119 CO 0.31 0.58 0.65 1.33 -0.01 0.00 0.00 175.02 177.88 1xs6 n VAL 120 N 1.77 0.00 -3.81 -6.03 0.24 -1.26 -2.08 118.33 107.16 1xs6 n VAL 120 Ca -0.08 -0.37 -0.09 0.00 -2.04 0.00 0.00 64.34 61.76 1xs6 n VAL 120 Cb 0.50 1.12 -0.07 0.00 -1.47 0.00 0.00 33.84 33.92 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 -1.52 0.08 -0.70 6.34 -3.43 -1.18 -3.76 115.29 111.13 1xs6 s HIS 121 Ca 0.09 -0.48 0.01 0.00 -0.80 0.00 0.00 55.06 53.87 1xs6 s HIS 121 Cb 0.09 0.02 0.17 0.00 -1.43 0.00 0.00 32.58 31.43 1xs6 s HIS 121 CO 0.30 -0.60 0.51 0.08 -2.00 0.00 0.00 174.74 173.03 1xs6 s VAL 122 N -3.86 3.45 -0.50 -5.38 1.01 -1.26 -4.80 120.40 109.07 1xs6 s VAL 122 Ca 0.06 -3.63 -0.12 0.00 0.00 0.00 0.00 61.98 58.28 1xs6 s VAL 122 Cb 0.04 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.20 1xs6 s VAL 122 CO -0.10 -0.95 0.29 0.35 0.00 0.00 0.00 175.10 174.69 1xs6 n THR 123 N 2.70 -1.20 -3.04 3.92 -2.24 -1.26 -4.93 114.28 108.23 1xs6 n THR 123 Ca 0.14 -0.20 0.02 0.00 -2.27 0.00 0.00 64.05 61.74 1xs6 n THR 123 Cb 0.36 -1.03 -0.00 0.00 -2.10 0.00 0.00 70.33 67.55 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 -3.93 -3.22 -0.03 6.98 0.00 -1.26 -5.05 121.76 115.26 1xs6 s ALA 124 Ca 0.17 0.72 0.05 0.00 0.00 0.00 0.00 51.96 52.89 1xs6 s ALA 124 Cb -0.10 -2.83 0.07 0.00 0.00 0.00 0.00 23.12 20.26 1xs6 s ALA 124 CO 0.42 -2.29 0.91 -2.39 0.00 0.00 0.00 175.76 172.41 1xs6 n HIS 125 N 4.25 0.00 -2.86 0.00 -0.00 -1.26 -4.90 115.22 110.45 1xs6 n HIS 125 Ca 0.09 -0.39 -0.41 0.00 -0.00 0.00 0.00 57.72 57.01 1xs6 n HIS 125 Cb 0.59 -0.06 -0.04 0.00 -0.00 0.00 0.00 29.99 30.48 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 -0.99 4.35 -0.34 -1.40 3.52 -1.26 -1.23 118.95 121.60 1xs6 s ARG 126 Ca 0.08 1.10 -0.12 0.00 -0.13 0.00 0.00 55.73 56.66 1xs6 s ARG 126 Cb 0.07 -3.55 -0.00 0.00 -1.56 0.00 0.00 34.95 29.90 1xs6 s ARG 126 CO 0.01 -0.28 0.21 0.42 -0.81 0.00 0.00 175.30 174.86 1xs6 s ILE 127 N 1.95 4.98 0.57 4.11 -1.09 0.24 -4.98 121.20 126.97 1xs6 s ILE 127 Ca 0.41 -0.40 -0.15 0.00 -2.23 0.00 0.00 60.65 58.28 1xs6 s ILE 127 Cb -0.17 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.06 1xs6 s ILE 127 CO 0.15 -0.04 1.02 -1.81 -1.23 0.00 0.00 174.94 173.02 1xs6 s ASP 128 N 1.66 6.24 0.11 3.58 1.01 -1.26 -0.06 116.67 127.95 1xs6 s ASP 128 Ca 0.05 1.60 -0.34 0.00 0.71 0.00 0.00 52.55 54.57 1xs6 s ASP 128 Cb -0.18 -2.51 -0.14 0.00 1.01 0.00 0.00 42.92 41.11 1xs6 s ASP 128 CO 0.09 -0.85 1.60 -0.81 0.21 0.00 0.00 175.17 175.40 1xs6 n PRO 129 N -2.06 2.01 -0.00 8.23 -0.04 -1.14 -1.17 135.00 140.83 1xs6 n PRO 129 Ca 0.07 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 1xs6 n PRO 129 Cb 0.54 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 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 3.47 1.33 3.69 0.55 0.00 -0.53 -0.34 105.19 113.35 1xs6 n GLY 130 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1xs6 n GLY 130 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1xs6 n TRP 131 N -2.00 2.24 -3.55 1.61 -0.00 -0.32 -3.34 117.44 112.09 1xs6 n TRP 131 Ca 0.00 0.49 -0.19 0.00 -0.00 0.00 0.00 57.50 57.80 1xs6 n TRP 131 Cb 0.00 -2.44 -0.14 0.00 -0.00 0.00 0.00 31.31 28.73 1xs6 n TRP 131 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1xs6 s SER 132 N -0.01 1.37 0.00 5.87 0.15 -1.25 -0.86 113.70 118.97 1xs6 s SER 132 Ca 0.61 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1xs6 s SER 132 Cb -0.60 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.98 1xs6 s SER 132 CO 0.56 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.30 1xs6 n GLY 133 N 5.31 2.85 3.76 9.45 0.00 -0.48 -2.50 105.19 123.59 1xs6 n GLY 133 Ca -0.06 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.48 5.11 -0.01 0.00 1.01 -1.26 -4.79 121.20 119.79 1xs6 s ILE 135 Ca 0.67 0.91 -0.30 0.00 0.00 0.00 0.00 60.65 61.93 1xs6 s ILE 135 Cb -0.32 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 1xs6 s ILE 135 CO 0.38 0.18 1.14 -0.69 0.00 0.00 0.00 174.94 175.95 1xs6 s VAL 136 N 1.67 4.35 -0.17 2.92 1.01 -1.26 -0.85 120.40 128.06 1xs6 s VAL 136 Ca 0.23 1.68 -0.07 0.00 0.00 0.00 0.00 61.98 63.82 1xs6 s VAL 136 Cb -0.15 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1xs6 s VAL 136 CO 0.09 0.07 0.07 -0.76 0.00 0.00 0.00 175.10 174.58 1xs6 s LEU 137 N 1.53 3.89 -0.45 3.92 1.43 -0.55 -4.96 118.68 123.50 1xs6 s LEU 137 Ca 0.55 0.13 -0.14 0.00 -1.03 0.00 0.00 54.13 53.65 1xs6 s LEU 137 Cb -0.25 -1.98 0.07 0.00 0.03 0.00 0.00 46.19 44.06 1xs6 s LEU 137 CO 0.25 0.20 0.35 0.00 0.23 0.00 0.00 176.35 177.39 1xs6 s ALA 138 N 0.20 3.48 -0.05 4.21 0.00 -1.25 -0.60 121.76 127.76 1xs6 s ALA 138 Ca 0.05 -2.11 -0.14 0.00 0.00 0.00 0.00 51.96 49.76 1xs6 s ALA 138 Cb -0.12 -2.95 -0.05 0.00 0.00 0.00 0.00 23.12 20.00 1xs6 s ALA 138 CO 0.00 -1.69 0.38 -0.06 0.00 0.00 0.00 175.76 174.39 1xs6 s PHE 139 N 1.58 3.65 -0.06 0.00 2.99 0.20 -3.12 117.98 123.23 1xs6 s PHE 139 Ca 0.04 0.89 0.00 0.00 0.00 0.00 0.00 56.93 57.86 1xs6 s PHE 139 Cb -0.24 -2.31 0.02 0.00 0.00 0.00 0.00 43.02 40.50 1xs6 s PHE 139 CO 0.06 0.53 -0.03 -0.47 -0.00 0.00 0.00 175.22 175.31 1xs6 s TYR 140 N -0.63 0.75 -0.50 0.36 5.04 -0.88 -0.97 117.35 120.51 1xs6 s TYR 140 Ca 0.22 -0.22 -0.20 0.00 -2.44 0.00 0.00 57.07 54.43 1xs6 s TYR 140 Cb -0.16 -0.73 0.05 0.00 0.35 0.00 0.00 41.96 41.47 1xs6 s TYR 140 CO 0.11 -0.25 0.69 1.21 -1.34 0.00 0.00 175.55 175.97 1xs6 s ASN 141 N 1.27 6.27 0.00 4.32 3.84 -1.22 -0.74 114.94 128.69 1xs6 s ASN 141 Ca -0.05 -0.65 0.26 0.00 0.21 0.00 0.00 52.86 52.63 1xs6 s ASN 141 Cb -0.14 -2.33 0.74 0.00 -0.55 0.00 0.00 41.25 38.98 1xs6 s ASN 141 CO -0.02 -0.93 1.57 -1.54 -2.79 0.00 0.00 177.10 173.39 1xs6 n SER 142 N 6.44 2.05 -1.65 -4.21 3.41 0.11 -1.39 113.62 118.37 1xs6 n SER 142 Ca -0.04 -1.69 0.00 0.00 -0.26 0.00 0.00 58.87 56.89 1xs6 n SER 142 Cb 0.46 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 1.24 0.91 0.00 5.00 0.00 -1.25 -4.89 105.19 106.20 1xs6 n GLY 143 Ca 0.17 -1.94 0.07 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.63 1.80 -4.42 1.61 4.76 -1.26 -4.68 118.16 115.34 1xs6 n LYS 144 Ca 0.00 -0.01 -0.22 0.00 -2.87 0.00 0.00 58.31 55.20 1xs6 n LYS 144 Cb 0.00 -1.24 -0.13 0.00 -1.84 0.00 0.00 35.03 31.82 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 -2.84 2.20 0.36 -0.35 1.02 -1.26 -4.97 118.68 112.84 1xs6 s LEU 145 Ca 0.05 -0.54 -0.26 0.00 0.02 0.00 0.00 54.13 53.40 1xs6 s LEU 145 Cb 0.11 -0.77 -0.12 0.00 0.02 0.00 0.00 46.19 45.43 1xs6 s LEU 145 CO 0.63 0.07 1.09 -2.65 0.02 0.00 0.00 176.35 175.51 1xs6 n PRO 146 N 1.66 1.57 -4.82 1.29 -0.02 -1.26 -4.53 135.00 128.90 1xs6 n PRO 146 Ca -0.18 0.55 -0.31 0.00 -2.02 0.00 0.00 63.50 61.54 1xs6 n PRO 146 Cb 0.54 -2.07 -0.17 0.00 -0.02 0.00 0.00 33.50 31.78 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 -0.41 2.03 -0.19 2.45 1.43 -0.44 -4.96 118.68 118.59 1xs6 s LEU 147 Ca 0.60 -0.55 -0.23 0.00 -1.03 0.00 0.00 54.13 52.91 1xs6 s LEU 147 Cb -0.60 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1xs6 s LEU 147 CO 0.59 0.10 0.74 0.00 0.23 0.00 0.00 176.35 178.01 1xs6 s ALA 148 N 0.68 3.55 -0.15 4.21 0.00 -1.26 -0.99 121.76 127.79 1xs6 s ALA 148 Ca -0.11 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 1xs6 s ALA 148 Cb -0.16 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1xs6 s ALA 148 CO 0.02 -0.65 0.07 -0.51 0.00 0.00 0.00 175.76 174.70 1xs6 s LEU 149 N 2.14 3.95 -0.06 0.00 1.43 0.42 -4.93 118.68 121.64 1xs6 s LEU 149 Ca 0.34 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 1xs6 s LEU 149 Cb -0.16 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.09 1xs6 s LEU 149 CO 0.11 0.28 -0.16 -0.13 0.23 0.00 0.00 176.35 176.68 1xs6 s ARG 150 N -0.28 1.85 0.24 1.70 0.52 -1.26 -0.37 118.95 121.35 1xs6 s ARG 150 Ca 0.09 -0.55 -0.31 0.00 -0.52 0.00 0.00 55.73 54.44 1xs6 s ARG 150 Cb -0.12 -1.55 -0.14 0.00 0.52 0.00 0.00 34.95 33.66 1xs6 s ARG 150 CO 0.01 0.15 1.20 -2.30 0.02 0.00 0.00 175.30 174.39 1xs6 n PRO 151 N 3.43 1.55 0.00 3.54 -0.02 -1.26 -2.20 135.00 140.04 1xs6 n PRO 151 Ca -0.20 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1xs6 n PRO 151 Cb 0.53 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 1.73 1.21 3.77 -1.23 0.00 0.40 -4.96 105.19 106.10 1xs6 n GLY 152 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.81 3.45 0.05 1.61 0.23 -0.93 -4.52 119.30 118.36 1xs6 s MET 153 Ca 0.00 1.82 -0.30 0.00 -1.03 0.00 0.00 55.69 56.17 1xs6 s MET 153 Cb 0.00 -2.22 -0.08 0.00 -1.53 0.00 0.00 34.83 31.00 1xs6 s MET 153 CO 0.00 -0.82 1.75 -0.51 -2.03 0.00 0.00 175.02 173.41 1xs6 s LEU 154 N -3.44 4.38 0.00 0.18 1.43 -1.26 -0.09 118.68 119.87 1xs6 s LEU 154 Ca 0.69 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 56.31 1xs6 s LEU 154 Cb -0.30 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.37 1xs6 s LEU 154 CO 0.35 -0.95 0.00 0.00 0.23 0.00 0.00 176.35 175.98 1xs6 n ILE 155 N 5.05 0.00 -1.17 -0.59 0.13 0.30 -4.89 119.36 118.19 1xs6 n ILE 155 Ca 0.17 -0.14 0.00 0.00 -1.10 0.00 0.00 62.75 61.68 1xs6 n ILE 155 Cb 0.41 0.62 0.00 0.00 -0.84 0.00 0.00 39.64 39.83 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 1.84 -1.29 2.96 4.50 0.00 -1.13 -4.57 105.19 107.51 1xs6 n GLY 156 Ca 0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.62 0.25 -0.08 4.61 0.00 0.01 -0.75 121.76 124.17 1xs6 s ALA 157 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.59 1xs6 s ALA 157 Cb 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 1xs6 s ALA 157 CO 0.00 -0.03 -0.10 -0.51 0.00 0.00 0.00 175.76 175.12 1xs6 s LEU 158 N -0.78 2.95 0.28 0.00 1.43 -0.35 -0.25 118.68 121.95 1xs6 s LEU 158 Ca -0.06 -0.14 0.10 0.00 -1.03 0.00 0.00 54.13 53.00 1xs6 s LEU 158 Cb -0.05 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1xs6 s LEU 158 CO -0.00 0.31 -0.15 -0.94 0.23 0.00 0.00 176.35 175.80 1xs6 s SER 159 N -0.51 3.35 -0.01 2.29 1.04 -0.64 -0.84 113.70 118.38 1xs6 s SER 159 Ca 0.07 -1.09 0.01 0.00 0.48 0.00 0.00 55.95 55.43 1xs6 s SER 159 Cb -0.12 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.74 1xs6 s SER 159 CO 0.02 -0.10 -0.05 -0.36 0.98 0.00 0.00 173.24 173.73 1xs6 s PHE 160 N -2.67 0.48 -0.16 5.02 0.40 -1.26 -0.24 117.98 119.54 1xs6 s PHE 160 Ca 0.29 -0.09 -0.01 0.00 -0.60 0.00 0.00 56.93 56.52 1xs6 s PHE 160 Cb -0.01 -0.35 0.04 0.00 0.51 0.00 0.00 43.02 43.21 1xs6 s PHE 160 CO 0.14 -0.04 -0.03 -2.00 0.70 0.00 0.00 175.22 173.99 1xs6 s GLU 161 N 0.10 1.16 0.49 0.44 2.12 0.11 -1.04 118.70 122.07 1xs6 s GLU 161 Ca -0.01 -0.42 -0.22 0.00 0.36 0.00 0.00 54.97 54.68 1xs6 s GLU 161 Cb -0.04 -1.89 -0.09 0.00 0.26 0.00 0.00 34.13 32.37 1xs6 s GLU 161 CO -0.00 -0.46 0.99 -2.30 -0.54 0.00 0.00 175.26 172.94 1xs6 n PRO 162 N 4.95 1.21 -2.58 4.30 -0.02 -1.25 -1.32 135.00 140.29 1xs6 n PRO 162 Ca -0.11 0.44 -0.24 0.00 -2.02 0.00 0.00 63.50 61.58 1xs6 n PRO 162 Cb 0.48 -2.09 0.03 0.00 -0.02 0.00 0.00 33.50 31.90 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 -1.01 3.27 0.55 2.45 1.43 -0.31 -4.81 118.68 120.26 1xs6 s LEU 163 Ca 0.67 0.36 0.32 0.00 -1.03 0.00 0.00 54.13 54.45 1xs6 s LEU 163 Cb -0.50 -3.18 1.59 0.00 0.03 0.00 0.00 46.19 44.13 1xs6 s LEU 163 CO 0.54 -1.09 2.09 0.77 0.23 0.00 0.00 176.35 178.88 1xs6 h SER 164 N -0.04 0.00 -5.45 2.29 4.64 -1.95 -3.46 113.55 109.58 1xs6 h SER 164 Ca -0.44 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.05 1xs6 h SER 164 Cb 1.28 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.33 1xs6 h SER 164 CO 0.57 0.07 0.61 -0.83 -0.87 0.00 0.00 176.83 176.39 1xs6 s GLY 165 N -4.19 0.08 0.13 -0.77 0.00 -1.26 -5.13 107.32 96.17 1xs6 s GLY 165 Ca -0.02 -0.28 -0.31 0.00 0.00 0.00 0.00 44.72 44.11 1xs6 s GLY 165 CO 0.54 2.59 1.55 2.56 0.00 0.00 0.00 173.10 180.35 1xs6 s PRO 166 N -2.20 4.23 0.30 2.90 0.04 -1.26 -4.64 135.00 134.38 1xs6 s PRO 166 Ca 0.22 2.29 -0.30 0.00 0.04 0.00 0.00 61.00 63.26 1xs6 s PRO 166 Cb -0.02 -3.30 -0.12 0.00 0.04 0.00 0.00 34.50 31.10 1xs6 s PRO 166 CO 0.05 -0.61 1.55 0.00 0.04 0.00 0.00 177.00 178.02 1xs6 n ALA 167 N 4.42 2.32 0.09 8.56 0.00 0.12 -4.89 120.51 131.13 1xs6 n ALA 167 Ca 0.14 0.37 -0.05 0.00 0.00 0.00 0.00 53.44 53.90 1xs6 n ALA 167 Cb 0.40 -2.43 0.01 0.00 0.00 0.00 0.00 19.45 17.43 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 3.22 1.59 -2.15 0.00 2.07 -1.91 -3.37 116.25 115.69 1xs6 h VAL 168 Ca -0.47 -2.83 -0.58 0.00 0.82 0.00 0.00 66.70 63.64 1xs6 h VAL 168 Cb 1.24 2.53 -0.41 0.00 -1.52 0.00 0.00 31.29 33.12 1xs6 h VAL 168 CO 0.76 0.81 -0.76 0.54 0.02 0.00 0.00 177.57 178.94 1xs6 n ARG 169 N -3.56 2.16 -1.16 1.57 1.74 -1.26 -5.10 116.66 111.05 1xs6 n ARG 169 Ca -0.01 -4.31 -0.30 0.00 -0.77 0.00 0.00 57.85 52.47 1xs6 n ARG 169 Cb 0.79 -1.99 0.13 0.00 -1.02 0.00 0.00 32.46 30.38 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 -2.39 1.39 0.22 5.56 0.04 -1.26 -4.82 135.00 133.74 1xs6 s PRO 170 Ca 0.41 0.94 -0.08 0.00 0.04 0.00 0.00 61.00 62.30 1xs6 s PRO 170 Cb 0.19 -1.81 0.19 0.00 0.04 0.00 0.00 34.50 33.11 1xs6 s PRO 170 CO -0.06 -2.18 1.86 -0.92 0.04 0.00 0.00 177.00 175.74 1xs6 h TYR 171 N -1.51 1.12 0.00 0.56 3.20 -0.93 -2.35 116.97 117.05 1xs6 h TYR 171 Ca -0.48 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.37 1xs6 h TYR 171 Cb 1.27 -0.37 -0.00 0.00 1.54 0.00 0.00 36.73 39.17 1xs6 h TYR 171 CO 0.46 0.76 -0.06 -2.95 -1.64 0.00 0.00 178.16 174.73 1xs6 h ASN 172 N 1.17 0.00 0.00 -2.11 -1.07 -1.77 -3.02 115.58 108.78 1xs6 h ASN 172 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.67 1xs6 h ASN 172 Cb -0.03 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.22 1xs6 h ASN 172 CO -0.06 0.06 -1.11 0.54 0.07 0.00 0.00 177.43 176.94 1xs6 n ARG 173 N -3.31 0.59 -2.33 4.14 1.74 -0.91 -4.96 116.66 111.61 1xs6 n ARG 173 Ca -0.01 -0.03 -0.43 0.00 -0.77 0.00 0.00 57.85 56.60 1xs6 n ARG 173 Cb 0.23 -1.43 -0.02 0.00 -1.02 0.00 0.00 32.46 30.22 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 -2.94 3.77 0.54 5.56 3.52 -1.06 -4.91 118.95 123.42 1xs6 s ARG 174 Ca 0.05 1.23 0.32 0.00 -0.13 0.00 0.00 55.73 57.19 1xs6 s ARG 174 Cb 0.14 -3.96 1.42 0.00 -1.56 0.00 0.00 34.95 30.99 1xs6 s ARG 174 CO 0.80 -1.31 2.02 1.05 -0.81 0.00 0.00 175.30 177.05 1xs6 h GLU 175 N 10.08 0.00 -0.63 5.12 4.11 -1.93 -1.18 114.58 130.15 1xs6 h GLU 175 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1xs6 h GLU 175 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1xs6 h GLU 175 CO 1.04 0.07 0.00 -0.40 0.07 0.00 0.00 179.01 179.80 1xs6 n ASP 176 N -3.26 3.93 -4.74 3.06 5.75 -1.26 -4.92 116.55 115.10 1xs6 n ASP 176 Ca -0.00 -2.30 -0.41 0.00 -0.01 0.00 0.00 54.79 52.06 1xs6 n ASP 176 Cb 0.29 -0.51 -0.03 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 -1.67 3.62 -0.03 2.12 0.00 -0.45 -4.95 121.76 120.39 1xs6 s ALA 177 Ca 0.43 1.28 -0.01 0.00 0.00 0.00 0.00 51.96 53.66 1xs6 s ALA 177 Cb 0.27 -3.55 -0.26 0.00 0.00 0.00 0.00 23.12 19.57 1xs6 s ALA 177 CO 0.22 -0.70 0.72 0.87 0.00 0.00 0.00 175.76 176.87 1xs6 h LYS 178 N 5.36 0.21 -0.19 0.00 1.57 -1.91 -3.43 116.57 118.18 1xs6 h LYS 178 Ca -0.45 -0.35 -0.12 0.00 -1.87 0.00 0.00 60.65 57.86 1xs6 h LYS 178 Cb 1.22 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 33.58 1xs6 h LYS 178 CO 0.79 1.02 -0.41 0.66 -0.57 0.00 0.00 179.45 180.95 1xs6 n TYR 179 N -3.38 0.64 -2.06 -1.35 4.02 -1.26 -5.04 117.16 108.73 1xs6 n TYR 179 Ca -0.20 -1.63 -0.38 0.00 -0.01 0.00 0.00 57.90 55.67 1xs6 n TYR 179 Cb 1.05 -0.34 0.01 0.00 -0.02 0.00 0.00 39.34 40.03 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 -3.29 3.67 -1.31 -0.72 0.52 -1.26 -2.82 118.95 113.73 1xs6 s ARG 180 Ca 0.42 2.04 0.00 0.00 -0.52 0.00 0.00 55.73 57.66 1xs6 s ARG 180 Cb 0.39 -2.49 0.00 0.00 0.52 0.00 0.00 34.95 33.37 1xs6 s ARG 180 CO -0.04 -0.70 0.00 -1.71 0.02 0.00 0.00 175.30 172.87 1xs6 n ASN 181 N -0.41 -3.38 -4.54 0.23 5.15 -1.04 -4.90 115.26 106.37 1xs6 n ASN 181 Ca 0.07 0.30 -0.58 0.00 -0.60 0.00 0.00 54.58 53.77 1xs6 n ASN 181 Cb 0.46 -3.15 -0.08 0.00 -0.53 0.00 0.00 39.78 36.48 1xs6 n ASN 181 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1xs6 n GLN 182 N -1.93 0.31 -0.22 1.20 7.27 -1.13 -4.92 117.38 117.96 1xs6 n GLN 182 Ca -0.13 0.11 0.03 0.00 0.07 0.00 0.00 57.00 57.08 1xs6 n GLN 182 Cb 0.43 -1.65 0.04 0.00 2.41 0.00 0.00 30.24 31.47 1xs6 n GLN 182 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1xs6 n GLN 183 N 1.95 0.71 0.00 3.69 6.02 -1.26 -3.37 117.38 125.11 1xs6 n GLN 183 Ca 0.20 -1.36 0.00 0.00 -0.01 0.00 0.00 57.00 55.83 1xs6 n GLN 183 Cb 0.10 -0.82 0.00 0.00 1.02 0.00 0.00 30.24 30.54 1xs6 n GLN 183 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xs6 n GLY 184 N -0.43 2.35 2.88 1.08 0.00 -1.26 -5.04 105.19 104.77 1xs6 n GLY 184 Ca 0.04 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 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 5.23 -2.42 4.61 0.00 -1.26 -4.76 120.51 118.91 1xs6 n ALA 185 Ca 0.00 -3.98 -0.42 0.00 0.00 0.00 0.00 53.44 49.04 1xs6 n ALA 185 Cb 0.00 -3.42 -0.03 0.00 0.00 0.00 0.00 19.45 16.01 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 2.68 4.10 0.81 0.00 1.01 -1.26 -4.66 120.40 123.07 1xs6 s VAL 186 Ca 0.46 1.47 -0.11 0.00 0.00 0.00 0.00 61.98 63.80 1xs6 s VAL 186 Cb 0.11 -3.94 0.08 0.00 0.00 0.00 0.00 36.38 32.62 1xs6 s VAL 186 CO -0.05 0.05 1.09 0.00 0.00 0.00 0.00 175.10 176.19 1xs6 s ALA 187 N 1.72 2.08 0.12 5.51 0.00 -1.26 -4.96 121.76 124.98 1xs6 s ALA 187 Ca 0.58 0.06 -0.34 0.00 0.00 0.00 0.00 51.96 52.26 1xs6 s ALA 187 Cb -0.28 -3.21 -0.17 0.00 0.00 0.00 0.00 23.12 19.47 1xs6 s ALA 187 CO 0.26 -1.88 1.06 0.45 0.00 0.00 0.00 175.76 175.65 1xs6 n SER 188 N -3.57 0.63 -1.87 0.00 2.88 -1.26 -4.90 113.62 105.53 1xs6 n SER 188 Ca 0.08 1.14 -0.21 0.00 -1.33 0.00 0.00 58.87 58.55 1xs6 n SER 188 Cb 0.54 -1.10 0.10 0.00 -0.75 0.00 0.00 64.21 63.00 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 1.65 2.78 0.20 -1.46 1.74 -1.26 -4.70 116.66 115.61 1xs6 n ARG 189 Ca 0.17 -3.59 0.17 0.00 -0.77 0.00 0.00 57.85 53.82 1xs6 n ARG 189 Cb 0.20 -2.14 0.81 0.00 -1.02 0.00 0.00 32.46 30.30 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 1.45 0.53 0.00 0.55 6.09 -1.99 -1.48 117.51 122.66 1xs6 h ILE 190 Ca 0.41 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.90 1xs6 h ILE 190 Cb 1.42 0.85 0.00 0.00 0.47 0.00 0.00 36.82 39.56 1xs6 h ILE 190 CO 0.91 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 175.09 1xs6 n ASP 191 N -3.91 0.00 -0.85 2.19 5.75 -1.26 -2.84 116.55 115.63 1xs6 n ASP 191 Ca 0.02 0.46 0.12 0.00 -0.01 0.00 0.00 54.79 55.38 1xs6 n ASP 191 Cb 0.32 -0.47 0.23 0.00 -1.03 0.00 0.00 41.12 40.17 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 -1.47 2.17 0.00 0.11 5.02 -0.56 -4.83 118.16 118.60 1xs6 n LYS 192 Ca 0.02 -1.71 0.00 0.00 -2.02 0.00 0.00 58.31 54.60 1xs6 n LYS 192 Cb 0.08 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1xs6 n LYS 192 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63