#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xs1 s ARG 2 N 0.00 3.64 0.12 2.12 1.81 -1.26 -4.05 118.95 121.33 1xs1 s ARG 2 Ca 0.00 -0.05 -0.32 0.00 -1.72 0.00 0.00 55.73 53.64 1xs1 s ARG 2 Cb 0.00 -2.87 -0.12 0.00 -0.45 0.00 0.00 34.95 31.51 1xs1 s ARG 2 CO 0.00 0.48 1.78 1.28 -0.68 0.00 0.00 175.30 178.16 1xs1 n LEU 3 N 0.22 3.79 -4.77 2.53 4.77 -0.61 -5.02 117.00 117.91 1xs1 n LEU 3 Ca -0.03 1.01 -0.29 0.00 -0.03 0.00 0.00 56.01 56.67 1xs1 n LEU 3 Cb 0.52 -1.51 0.16 0.00 -2.33 0.00 0.00 43.42 40.27 1xs1 n LEU 3 CO 0.47 0.06 0.72 0.00 -1.33 0.00 0.00 177.39 177.32 1xs1 h ASP 5 N -1.74 0.09 -0.29 0.00 3.04 -1.28 0.33 116.42 116.57 1xs1 h ASP 5 Ca -0.49 0.06 -0.03 0.00 -3.24 0.00 0.00 57.03 53.34 1xs1 h ASP 5 Cb 1.31 0.07 -0.02 0.00 -1.04 0.00 0.00 39.33 39.65 1xs1 h ASP 5 CO 0.53 0.08 0.09 -0.09 -2.04 0.00 0.00 179.24 177.81 1xs1 h ARG 6 N 0.28 0.54 0.06 4.15 9.65 -1.92 -0.29 114.38 126.84 1xs1 h ARG 6 Ca 0.22 -0.08 -0.24 0.00 -1.10 0.00 0.00 59.98 58.77 1xs1 h ARG 6 Cb 0.24 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.73 1xs1 h ARG 6 CO -0.25 0.49 -1.07 -0.44 2.80 0.00 0.00 179.97 181.51 1xs1 h ASP 7 N 0.53 0.41 -0.83 -3.80 3.32 -1.64 -1.78 116.42 112.62 1xs1 h ASP 7 Ca 0.12 -0.38 0.07 0.00 0.02 0.00 0.00 57.03 56.86 1xs1 h ASP 7 Cb 0.20 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 1xs1 h ASP 7 CO -0.00 1.23 0.54 0.40 -1.72 0.00 0.00 179.24 179.69 1xs1 h ILE 8 N 0.13 1.03 -0.39 0.35 2.04 -0.31 0.14 117.51 120.49 1xs1 h ILE 8 Ca -0.09 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 1xs1 h ILE 8 Cb 1.75 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1xs1 h ILE 8 CO 0.17 0.16 0.08 -0.33 0.00 0.00 0.00 178.15 178.24 1xs1 h GLU 9 N 0.89 0.64 -0.27 2.37 5.08 -0.84 -1.60 114.58 120.85 1xs1 h GLU 9 Ca 0.36 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1xs1 h GLU 9 Cb 0.27 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1xs1 h GLU 9 CO -0.13 0.68 0.14 0.00 -1.00 0.00 0.00 179.01 178.70 1xs1 h ALA 10 N 0.93 0.34 -0.91 3.43 0.00 -0.04 0.45 119.26 123.47 1xs1 h ALA 10 Ca 0.12 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1xs1 h ALA 10 Cb 0.34 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1xs1 h ALA 10 CO 0.00 -0.11 0.60 -1.49 0.00 0.00 0.00 179.25 178.26 1xs1 h TRP 11 N 0.31 1.13 -0.56 0.00 4.06 -0.85 0.26 115.95 120.29 1xs1 h TRP 11 Ca 0.09 0.03 -0.10 0.00 2.06 0.00 0.00 58.89 60.97 1xs1 h TRP 11 Cb 0.10 -0.38 -0.02 0.00 -1.00 0.00 0.00 29.16 27.86 1xs1 h TRP 11 CO -0.03 0.68 -0.03 -0.07 -3.56 0.00 0.00 178.44 175.44 1xs1 h LEU 12 N 1.19 0.98 -0.66 -4.49 3.38 -0.25 -0.04 115.31 115.42 1xs1 h LEU 12 Ca 0.35 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1xs1 h LEU 12 Cb -0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 1xs1 h LEU 12 CO -0.09 1.05 -0.23 0.44 0.09 0.00 0.00 178.44 179.70 1xs1 h ASP 13 N 0.91 0.82 1.46 -0.43 3.32 0.79 -2.40 116.42 120.89 1xs1 h ASP 13 Ca 0.16 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1xs1 h ASP 13 Cb 0.57 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1xs1 h ASP 13 CO 0.03 1.02 0.00 1.21 -1.72 0.00 0.00 179.24 179.78 1xs1 n GLU 14 N -4.11 0.27 -0.71 3.56 2.13 0.81 -4.90 120.64 117.69 1xs1 n GLU 14 Ca 0.00 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.05 1xs1 n GLU 14 Cb 0.44 -1.82 0.00 0.00 0.27 0.00 0.00 31.44 30.33 1xs1 n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xs1 n GLY 15 N 1.25 0.71 0.31 8.31 0.00 -0.41 -4.91 105.19 110.45 1xs1 n GLY 15 Ca 0.05 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.26 1xs1 n GLY 15 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xs1 h ARG 16 N 2.40 0.00 -4.10 1.61 2.47 -1.32 -3.42 114.38 112.02 1xs1 h ARG 16 Ca 0.00 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.48 1xs1 h ARG 16 Cb 0.00 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 28.08 1xs1 h ARG 16 CO 0.00 0.02 -0.72 -1.17 0.56 0.00 0.00 179.97 178.66 1xs1 s LEU 17 N -6.72 2.13 -0.07 3.04 2.96 -1.15 -3.65 118.68 115.23 1xs1 s LEU 17 Ca -0.04 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.60 1xs1 s LEU 17 Cb 0.13 -0.05 0.01 0.00 0.50 0.00 0.00 46.19 46.77 1xs1 s LEU 17 CO 0.49 -0.13 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.69 1xs1 s SER 18 N -0.84 2.09 -0.15 3.68 0.15 -0.63 -4.44 113.70 113.57 1xs1 s SER 18 Ca -0.07 -0.36 -0.01 0.00 0.70 0.00 0.00 55.95 56.21 1xs1 s SER 18 Cb -0.06 -0.89 0.04 0.00 -1.71 0.00 0.00 66.02 63.41 1xs1 s SER 18 CO -0.00 0.08 -0.02 -0.63 1.20 0.00 0.00 173.24 173.87 1xs1 s ILE 19 N 0.47 0.77 -0.15 6.45 1.01 -1.26 0.89 121.20 129.38 1xs1 s ILE 19 Ca -0.13 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.12 1xs1 s ILE 19 Cb -0.15 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.32 1xs1 s ILE 19 CO 0.04 0.09 -0.14 0.20 0.00 0.00 0.00 174.94 175.13 1xs1 s ASN 20 N 1.78 2.77 0.65 3.58 0.01 0.13 -1.37 114.94 122.50 1xs1 s ASN 20 Ca 0.02 -0.53 -0.16 0.00 -0.71 0.00 0.00 52.86 51.48 1xs1 s ASN 20 Cb -0.15 -1.20 -0.00 0.00 0.41 0.00 0.00 41.25 40.31 1xs1 s ASN 20 CO -0.07 -0.06 1.13 -2.84 -1.51 0.00 0.00 177.10 173.74 1xs1 s PRO 21 N 1.47 2.78 -0.22 -0.60 0.02 -1.26 -0.48 135.00 136.70 1xs1 s PRO 21 Ca 0.04 1.47 -0.29 0.00 0.02 0.00 0.00 61.00 62.24 1xs1 s PRO 21 Cb -0.13 -1.94 -0.02 0.00 0.02 0.00 0.00 34.50 32.43 1xs1 s PRO 21 CO -0.11 -1.28 1.40 0.50 -0.33 0.00 0.00 177.00 177.18 1xs1 s ARG 22 N -3.97 4.00 0.53 5.54 3.52 -0.47 -4.89 118.95 123.21 1xs1 s ARG 22 Ca 0.69 1.55 -0.22 0.00 -0.13 0.00 0.00 55.73 57.62 1xs1 s ARG 22 Cb -0.22 -3.90 -0.05 0.00 -1.56 0.00 0.00 34.95 29.22 1xs1 s ARG 22 CO 0.40 -1.02 1.36 -2.14 -0.81 0.00 0.00 175.30 173.09 1xs1 s PRO 23 N 4.10 3.23 1.02 5.12 0.02 -1.26 -4.99 135.00 142.24 1xs1 s PRO 23 Ca 0.61 2.25 -0.12 0.00 0.02 0.00 0.00 61.00 63.76 1xs1 s PRO 23 Cb -0.22 -2.32 0.20 0.00 0.02 0.00 0.00 34.50 32.18 1xs1 s PRO 23 CO 0.23 -1.12 1.09 -1.25 -0.33 0.00 0.00 177.00 175.61 1xs1 s PRO 24 N -2.84 0.28 0.45 5.54 0.04 -1.26 -4.85 135.00 132.36 1xs1 s PRO 24 Ca 0.70 0.54 0.16 0.00 0.04 0.00 0.00 61.00 62.44 1xs1 s PRO 24 Cb -0.41 -1.72 1.10 0.00 0.04 0.00 0.00 34.50 33.52 1xs1 s PRO 24 CO 0.49 -2.84 1.96 -0.24 0.04 0.00 0.00 177.00 176.41 1xs1 h VAL 25 N -1.97 0.83 0.00 -0.36 3.04 -1.94 -0.96 116.25 114.89 1xs1 h VAL 25 Ca -0.55 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 1xs1 h VAL 25 Cb 1.33 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 1xs1 h VAL 25 CO 0.57 0.06 0.00 -0.62 -1.01 0.00 0.00 177.57 176.57 1xs1 n GLU 26 N -4.46 0.06 -0.13 4.17 4.71 -1.26 -1.40 120.64 122.34 1xs1 n GLU 26 Ca 0.11 0.21 0.11 0.00 -0.01 0.00 0.00 57.16 57.59 1xs1 n GLU 26 Cb 0.47 -1.60 0.17 0.00 -1.01 0.00 0.00 31.44 29.48 1xs1 n GLU 26 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1xs1 n ARG 27 N -1.71 2.33 -3.90 3.49 5.12 -0.37 -4.77 116.66 116.86 1xs1 n ARG 27 Ca 0.04 -2.11 -0.34 0.00 -1.93 0.00 0.00 57.85 53.51 1xs1 n ARG 27 Cb 0.25 -1.47 -0.13 0.00 -1.16 0.00 0.00 32.46 29.95 1xs1 n ARG 27 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xs1 s ILE 28 N -1.55 2.91 -0.02 0.55 1.01 -0.49 -1.70 121.20 121.92 1xs1 s ILE 28 Ca 0.34 -1.72 -0.20 0.00 0.00 0.00 0.00 60.65 59.07 1xs1 s ILE 28 Cb 0.21 -2.83 0.04 0.00 0.01 0.00 0.00 42.46 39.89 1xs1 s ILE 28 CO 0.29 -0.33 0.42 0.54 0.00 0.00 0.00 174.94 175.87 1xs1 s ASN 29 N 1.35 -0.33 0.71 3.58 2.20 0.10 -4.92 114.94 117.62 1xs1 s ASN 29 Ca 0.00 0.26 0.00 0.00 -0.94 0.00 0.00 52.86 52.18 1xs1 s ASN 29 Cb -0.20 0.38 0.00 0.00 -2.00 0.00 0.00 41.25 39.43 1xs1 s ASN 29 CO -0.03 -0.51 0.00 0.61 -2.94 0.00 0.00 177.10 174.23 1xs1 n GLY 30 N 1.11 0.79 0.70 0.45 0.00 -1.26 -1.24 105.19 105.74 1xs1 n GLY 30 Ca -0.21 0.44 0.04 0.00 0.00 0.00 0.00 46.02 46.30 1xs1 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs1 n ALA 31 N 6.86 2.41 -2.66 4.61 0.00 -1.26 -0.82 120.51 129.65 1xs1 n ALA 31 Ca 0.00 -2.07 -0.09 0.00 0.00 0.00 0.00 53.44 51.28 1xs1 n ALA 31 Cb 0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 19.45 18.84 1xs1 n ALA 31 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xs1 s THR 32 N -1.11 0.14 -0.18 0.00 -4.23 -0.37 -4.40 115.64 105.49 1xs1 s THR 32 Ca 0.22 -1.18 -0.03 0.00 -1.18 0.00 0.00 61.69 59.52 1xs1 s THR 32 Cb 0.22 -0.88 -0.02 0.00 1.34 0.00 0.00 72.50 73.16 1xs1 s THR 32 CO -0.05 -0.65 -0.06 -0.69 -0.54 0.00 0.00 174.62 172.63 1xs1 s VAL 33 N -2.62 3.51 0.56 2.29 1.01 -0.70 -0.73 120.40 123.72 1xs1 s VAL 33 Ca -0.05 -0.47 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 1xs1 s VAL 33 Cb -0.01 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1xs1 s VAL 33 CO -0.05 0.46 1.14 -1.81 0.00 0.00 0.00 175.10 174.84 1xs1 s ASP 34 N 0.87 5.60 0.13 3.32 1.01 -0.69 -1.45 116.67 125.46 1xs1 s ASP 34 Ca -0.01 2.19 0.07 0.00 0.71 0.00 0.00 52.55 55.51 1xs1 s ASP 34 Cb -0.15 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.16 1xs1 s ASP 34 CO 0.01 -1.30 -0.16 0.68 0.21 0.00 0.00 175.17 174.61 1xs1 s VAL 35 N -1.80 1.52 0.31 -1.27 -7.23 0.19 -4.88 120.40 107.24 1xs1 s VAL 35 Ca 0.73 -1.75 0.09 0.00 -1.81 0.00 0.00 61.98 59.23 1xs1 s VAL 35 Cb -0.24 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 1xs1 s VAL 35 CO 0.29 -0.34 0.09 -0.13 -0.31 0.00 0.00 175.10 174.69 1xs1 s ARG 36 N -2.61 2.34 -0.02 4.82 0.52 -1.26 -0.56 118.95 122.18 1xs1 s ARG 36 Ca 0.11 -1.51 -0.30 0.00 -0.52 0.00 0.00 55.73 53.51 1xs1 s ARG 36 Cb -0.06 -2.16 -0.03 0.00 0.52 0.00 0.00 34.95 33.22 1xs1 s ARG 36 CO 0.04 0.20 1.05 -1.17 0.02 0.00 0.00 175.30 175.45 1xs1 s LEU 37 N -3.78 4.33 0.00 2.53 2.96 -0.50 -0.92 118.68 123.30 1xs1 s LEU 37 Ca 0.35 1.71 0.00 0.00 -0.22 0.00 0.00 54.13 55.97 1xs1 s LEU 37 Cb -0.04 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.09 1xs1 s LEU 37 CO 0.22 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.47 1xs1 n GLY 38 N 3.06 -1.24 0.59 7.98 0.00 0.39 -0.35 105.19 115.62 1xs1 n GLY 38 Ca 0.08 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.54 1xs1 n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xs1 n ASN 39 N -2.20 2.70 -4.19 1.61 6.94 -1.26 -4.18 115.26 114.68 1xs1 n ASN 39 Ca 0.00 -3.33 -0.29 0.00 -0.02 0.00 0.00 54.58 50.94 1xs1 n ASN 39 Cb 0.00 -0.52 -0.16 0.00 -2.36 0.00 0.00 39.78 36.74 1xs1 n ASN 39 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1xs1 s LYS 40 N -2.99 2.21 0.05 -3.83 1.02 -1.26 -0.18 119.74 114.76 1xs1 s LYS 40 Ca 0.38 -0.74 -0.02 0.00 0.02 0.00 0.00 55.97 55.61 1xs1 s LYS 40 Cb 0.34 -1.86 -0.03 0.00 -0.52 0.00 0.00 37.83 35.75 1xs1 s LYS 40 CO 0.02 0.28 0.00 -0.06 -0.92 0.00 0.00 175.35 174.68 1xs1 s PHE 41 N 0.02 0.41 0.01 3.18 0.40 0.77 -3.69 117.98 119.08 1xs1 s PHE 41 Ca -0.06 -0.87 -0.01 0.00 -0.60 0.00 0.00 56.93 55.38 1xs1 s PHE 41 Cb -0.13 -0.30 -0.01 0.00 0.51 0.00 0.00 43.02 43.09 1xs1 s PHE 41 CO 0.04 -0.36 0.01 1.03 0.70 0.00 0.00 175.22 176.64 1xs1 s ARG 42 N -3.37 0.25 0.47 0.44 0.52 -0.87 0.11 118.95 116.50 1xs1 s ARG 42 Ca 0.02 -0.38 0.03 0.00 -0.52 0.00 0.00 55.73 54.87 1xs1 s ARG 42 Cb 0.04 0.09 -0.03 0.00 0.52 0.00 0.00 34.95 35.58 1xs1 s ARG 42 CO -0.08 -0.04 0.03 0.95 0.02 0.00 0.00 175.30 176.18 1xs1 s THR 43 N -1.00 1.14 0.02 0.02 -4.23 -1.26 -0.50 115.64 109.83 1xs1 s THR 43 Ca -0.11 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.47 1xs1 s THR 43 Cb -0.07 -2.34 -0.03 0.00 1.34 0.00 0.00 72.50 71.41 1xs1 s THR 43 CO -0.00 0.00 -0.20 -0.36 -0.54 0.00 0.00 174.62 173.52 1xs1 s PHE 44 N -2.95 2.51 -0.36 3.99 0.40 -1.26 -1.33 117.98 118.98 1xs1 s PHE 44 Ca 0.15 -0.29 -0.02 0.00 -0.60 0.00 0.00 56.93 56.16 1xs1 s PHE 44 Cb 0.03 -1.48 0.08 0.00 0.51 0.00 0.00 43.02 42.16 1xs1 s PHE 44 CO 0.08 0.18 0.11 1.03 0.70 0.00 0.00 175.22 177.32 1xs1 s ARG 45 N -1.18 2.13 0.03 0.44 0.52 0.46 -4.94 118.95 116.41 1xs1 s ARG 45 Ca 0.13 -1.60 0.26 0.00 -0.52 0.00 0.00 55.73 54.00 1xs1 s ARG 45 Cb -0.10 -3.39 0.75 0.00 0.52 0.00 0.00 34.95 32.72 1xs1 s ARG 45 CO 0.03 -0.88 1.60 0.41 0.02 0.00 0.00 175.30 176.48 1xs1 n GLY 46 N 4.58 -1.39 0.00 -3.53 0.00 -1.26 -4.03 105.19 99.56 1xs1 n GLY 46 Ca -0.06 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.83 1xs1 n GLY 46 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1xs1 n HIS 47 N -1.64 0.00 0.73 1.61 1.44 -1.26 -2.49 115.22 113.61 1xs1 n HIS 47 Ca 0.06 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.85 1xs1 n HIS 47 Cb 0.36 -0.21 -0.11 0.00 0.12 0.00 0.00 29.99 30.16 1xs1 n HIS 47 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1xs1 n THR 48 N -1.21 0.00 -3.74 0.61 -2.24 -1.26 -4.98 114.28 101.47 1xs1 n THR 48 Ca 0.11 -0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.65 1xs1 n THR 48 Cb 0.13 0.87 -0.07 0.00 -2.10 0.00 0.00 70.33 69.17 1xs1 n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xs1 s ALA 49 N -2.77 -0.71 -0.10 6.98 0.00 -1.04 -5.00 121.76 119.12 1xs1 s ALA 49 Ca 0.05 -0.01 0.15 0.00 0.00 0.00 0.00 51.96 52.14 1xs1 s ALA 49 Cb 0.13 0.38 -0.07 0.00 0.00 0.00 0.00 23.12 23.56 1xs1 s ALA 49 CO 0.74 -0.45 1.13 0.00 0.00 0.00 0.00 175.76 177.18 1xs1 h ALA 50 N 3.07 0.63 -1.99 0.00 0.00 -1.94 -3.46 119.26 115.57 1xs1 h ALA 50 Ca -0.32 -0.73 0.29 0.00 0.00 0.00 0.00 54.91 54.15 1xs1 h ALA 50 Cb 1.21 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 1xs1 h ALA 50 CO 0.47 0.88 0.78 -0.59 0.00 0.00 0.00 179.25 180.78 1xs1 s PHE 51 N -2.89 -0.00 -0.12 0.00 -0.12 -1.26 -5.14 117.98 108.44 1xs1 s PHE 51 Ca 0.00 -0.18 0.02 0.00 -0.05 0.00 0.00 56.93 56.72 1xs1 s PHE 51 Cb 0.08 0.59 0.01 0.00 -0.63 0.00 0.00 43.02 43.08 1xs1 s PHE 51 CO 0.79 -0.45 -0.17 0.42 -0.05 0.00 0.00 175.22 175.75 1xs1 s ILE 52 N -2.30 1.69 -0.83 -4.49 1.01 -1.26 -5.00 121.20 110.02 1xs1 s ILE 52 Ca 0.21 -0.75 -0.22 0.00 0.00 0.00 0.00 60.65 59.89 1xs1 s ILE 52 Cb 0.01 -1.53 0.08 0.00 0.01 0.00 0.00 42.46 41.03 1xs1 s ILE 52 CO -0.00 0.48 1.15 -0.62 0.00 0.00 0.00 174.94 175.95 1xs1 s ASP 53 N 1.00 6.39 0.58 3.58 -1.08 -1.26 -4.88 116.67 121.00 1xs1 s ASP 53 Ca -0.05 -1.37 0.29 0.00 -0.52 0.00 0.00 52.55 50.89 1xs1 s ASP 53 Cb -0.15 -2.46 1.48 0.00 -1.46 0.00 0.00 42.92 40.34 1xs1 s ASP 53 CO -0.03 -1.37 1.91 -0.07 0.52 0.00 0.00 175.17 176.13 1xs1 h LEU 54 N 11.51 0.00 -2.67 -1.34 3.38 -1.99 -1.27 115.31 122.94 1xs1 h LEU 54 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xs1 h LEU 54 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1xs1 h LEU 54 CO 1.22 0.00 -0.21 -1.54 0.09 0.00 0.00 178.44 178.00 1xs1 n SER 55 N -3.80 1.51 -2.23 -0.43 3.41 -1.26 -4.88 113.62 105.94 1xs1 n SER 55 Ca 0.09 -2.73 -0.03 0.00 -0.26 0.00 0.00 58.87 55.93 1xs1 n SER 55 Cb 0.67 -0.35 0.02 0.00 -0.26 0.00 0.00 64.21 64.29 1xs1 n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xs1 n GLY 56 N -0.91 -1.01 3.66 5.00 0.00 -0.48 -4.94 105.19 106.52 1xs1 n GLY 56 Ca 0.11 -1.70 -0.50 0.00 0.00 0.00 0.00 46.02 43.93 1xs1 n GLY 56 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xs1 n PRO 57 N -1.32 1.78 -0.05 1.61 -0.02 -1.26 -4.77 135.00 130.96 1xs1 n PRO 57 Ca 0.02 0.65 -0.10 0.00 -2.02 0.00 0.00 63.50 62.05 1xs1 n PRO 57 Cb 0.07 -2.39 -0.04 0.00 -0.02 0.00 0.00 33.50 31.12 1xs1 n PRO 57 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1xs1 h LYS 58 N 6.62 -0.34 -0.35 -0.52 3.64 -1.92 0.46 116.57 124.16 1xs1 h LYS 58 Ca -0.47 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 58.95 1xs1 h LYS 58 Cb 1.29 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 1xs1 h LYS 58 CO 0.89 -0.23 0.23 -0.44 -2.27 0.00 0.00 179.45 177.64 1xs1 h ASP 59 N -0.35 0.39 -0.35 4.20 3.32 -1.93 0.33 116.42 122.02 1xs1 h ASP 59 Ca 0.12 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.08 1xs1 h ASP 59 Cb 0.56 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1xs1 h ASP 59 CO -0.44 0.28 -0.07 -0.33 -1.72 0.00 0.00 179.24 176.95 1xs1 h GLU 60 N 0.46 0.77 0.05 3.56 5.08 -1.43 -1.20 114.58 121.87 1xs1 h GLU 60 Ca 0.13 -0.24 -0.25 0.00 -1.00 0.00 0.00 59.36 58.01 1xs1 h GLU 60 Cb -0.02 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1xs1 h GLU 60 CO -0.03 0.83 -1.20 0.28 -1.00 0.00 0.00 179.01 177.89 1xs1 h VAL 61 N 0.71 1.50 -0.63 3.13 2.07 0.00 -2.81 116.25 120.22 1xs1 h VAL 61 Ca 0.13 -3.18 0.03 0.00 0.82 0.00 0.00 66.70 64.49 1xs1 h VAL 61 Cb 0.54 2.82 -0.04 0.00 -1.52 0.00 0.00 31.29 33.09 1xs1 h VAL 61 CO 0.03 0.89 0.39 -1.28 0.02 0.00 0.00 177.57 177.62 1xs1 h SER 62 N 0.03 0.64 -0.88 0.57 0.87 -0.82 -0.75 113.55 113.21 1xs1 h SER 62 Ca -0.10 -0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.54 1xs1 h SER 62 Cb 1.88 -0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 63.63 1xs1 h SER 62 CO 0.15 0.45 0.54 0.00 -0.53 0.00 0.00 176.83 177.44 1xs1 h ALA 63 N 1.27 1.24 -0.03 6.23 0.00 -1.22 -1.23 119.26 125.51 1xs1 h ALA 63 Ca 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1xs1 h ALA 63 Cb 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1xs1 h ALA 63 CO -0.10 0.24 -0.14 0.00 0.00 0.00 0.00 179.25 179.26 1xs1 h ALA 64 N 1.44 0.06 -0.72 0.00 0.00 -1.16 -1.82 119.26 117.07 1xs1 h ALA 64 Ca 0.40 -0.38 0.12 0.00 0.00 0.00 0.00 54.91 55.05 1xs1 h ALA 64 Cb 0.26 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 1xs1 h ALA 64 CO -0.20 -0.01 0.31 -0.07 0.00 0.00 0.00 179.25 179.27 1xs1 h LEU 65 N -0.42 0.33 -0.95 0.00 3.38 -1.04 0.81 115.31 117.42 1xs1 h LEU 65 Ca -0.01 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1xs1 h LEU 65 Cb 0.79 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1xs1 h LEU 65 CO 0.03 0.16 -0.38 0.44 0.09 0.00 0.00 178.44 178.78 1xs1 h ASP 66 N 0.49 0.28 0.87 -0.43 3.32 -1.20 -0.87 116.42 118.89 1xs1 h ASP 66 Ca 0.38 -0.11 -0.21 0.00 0.02 0.00 0.00 57.03 57.10 1xs1 h ASP 66 Cb 0.50 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1xs1 h ASP 66 CO -0.34 0.65 -0.99 0.08 -1.72 0.00 0.00 179.24 176.91 1xs1 h ARG 67 N 0.23 0.06 0.00 3.56 0.11 -0.25 -3.37 114.38 114.73 1xs1 h ARG 67 Ca 0.02 -0.09 -0.14 0.00 0.10 0.00 0.00 59.98 59.87 1xs1 h ARG 67 Cb 0.78 0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.87 1xs1 h ARG 67 CO 0.06 1.00 -1.21 -0.39 0.10 0.00 0.00 179.97 179.53 1xs1 h VAL 68 N 0.02 0.51 -3.43 0.08 -1.51 -0.60 -3.45 116.25 107.86 1xs1 h VAL 68 Ca -0.03 -1.93 -0.54 0.00 -1.23 0.00 0.00 66.70 62.97 1xs1 h VAL 68 Cb 1.72 2.04 -0.04 0.00 -2.13 0.00 0.00 31.29 32.88 1xs1 h VAL 68 CO 0.14 0.29 0.17 -0.04 -1.23 0.00 0.00 177.57 176.89 1xs1 s MET 69 N -2.97 4.50 1.01 5.19 -1.94 -0.36 -0.41 119.30 124.33 1xs1 s MET 69 Ca -0.01 1.08 -0.12 0.00 -1.71 0.00 0.00 55.69 54.92 1xs1 s MET 69 Cb 0.09 -3.36 0.20 0.00 2.01 0.00 0.00 34.83 33.76 1xs1 s MET 69 CO 0.80 0.29 1.09 -1.54 -0.01 0.00 0.00 175.02 175.64 1xs1 s SER 70 N -0.08 2.47 0.49 3.03 1.04 -0.44 -4.92 113.70 115.29 1xs1 s SER 70 Ca 0.39 1.21 -0.22 0.00 0.48 0.00 0.00 55.95 57.81 1xs1 s SER 70 Cb -0.21 -1.88 -0.07 0.00 0.10 0.00 0.00 66.02 63.97 1xs1 s SER 70 CO 0.23 -3.23 1.17 -1.81 0.98 0.00 0.00 173.24 170.58 1xs1 s ASP 71 N -3.39 5.95 0.32 7.02 1.11 -1.26 -4.78 116.67 121.64 1xs1 s ASP 71 Ca 0.66 2.30 -0.29 0.00 0.18 0.00 0.00 52.55 55.39 1xs1 s ASP 71 Cb -0.19 -2.60 -0.12 0.00 1.07 0.00 0.00 42.92 41.08 1xs1 s ASP 71 CO 0.58 -1.07 1.50 1.21 1.18 0.00 0.00 175.17 178.58 1xs1 n GLU 72 N -0.79 2.54 -3.41 8.23 2.13 -1.26 -4.77 120.64 123.30 1xs1 n GLU 72 Ca 0.09 0.90 -0.39 0.00 0.66 0.00 0.00 57.16 58.42 1xs1 n GLU 72 Cb 0.49 -2.62 -0.09 0.00 0.27 0.00 0.00 31.44 29.48 1xs1 n GLU 72 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1xs1 s ILE 73 N -0.45 5.19 -0.29 6.31 1.01 0.30 -4.92 121.20 128.35 1xs1 s ILE 73 Ca 0.60 0.55 -0.07 0.00 0.00 0.00 0.00 60.65 61.73 1xs1 s ILE 73 Cb -0.52 -3.69 -0.00 0.00 0.01 0.00 0.00 42.46 38.26 1xs1 s ILE 73 CO 0.55 0.17 0.09 -0.69 0.00 0.00 0.00 174.94 175.06 1xs1 s VAL 74 N 1.98 4.17 -0.13 2.92 1.01 -1.26 -0.16 120.40 128.92 1xs1 s VAL 74 Ca 0.15 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.42 1xs1 s VAL 74 Cb -0.16 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1xs1 s VAL 74 CO 0.10 0.14 0.54 -0.76 0.00 0.00 0.00 175.10 175.12 1xs1 s LEU 75 N 1.55 4.24 1.06 3.92 1.43 0.74 -5.02 118.68 126.60 1xs1 s LEU 75 Ca 0.04 0.85 -0.16 0.00 -1.03 0.00 0.00 54.13 53.83 1xs1 s LEU 75 Cb -0.17 -2.79 0.22 0.00 0.03 0.00 0.00 46.19 43.49 1xs1 s LEU 75 CO 0.03 -0.09 1.16 -1.81 0.23 0.00 0.00 176.35 175.88 1xs1 s ASP 76 N 0.83 2.22 0.06 2.29 1.11 -1.26 -4.87 116.67 117.05 1xs1 s ASP 76 Ca 0.28 0.69 -0.33 0.00 0.18 0.00 0.00 52.55 53.37 1xs1 s ASP 76 Cb -0.16 -1.01 -0.12 0.00 1.07 0.00 0.00 42.92 42.70 1xs1 s ASP 76 CO 0.11 -3.33 1.77 -1.84 1.18 0.00 0.00 175.17 173.06 1xs1 n GLU 77 N -4.23 2.36 -0.16 8.23 0.00 -1.26 -1.44 120.64 124.14 1xs1 n GLU 77 Ca 0.11 0.86 0.00 0.00 0.00 0.00 0.00 57.16 58.13 1xs1 n GLU 77 Cb 0.59 -2.70 0.00 0.00 0.00 0.00 0.00 31.44 29.34 1xs1 n GLU 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xs1 n GLY 78 N 4.01 2.11 3.83 -1.84 0.00 -1.26 -5.03 105.19 107.02 1xs1 n GLY 78 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1xs1 n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xs1 s GLU 79 N -0.19 4.12 0.22 1.61 2.02 -0.52 -5.06 118.70 120.89 1xs1 s GLU 79 Ca 0.00 0.88 0.09 0.00 0.02 0.00 0.00 54.97 55.96 1xs1 s GLU 79 Cb 0.00 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.83 1xs1 s GLU 79 CO 0.00 0.09 -0.07 0.00 0.02 0.00 0.00 175.26 175.30 1xs1 s ALA 80 N -2.03 3.00 -0.26 5.21 0.00 -1.26 -4.53 121.76 121.88 1xs1 s ALA 80 Ca 0.57 -1.57 -0.09 0.00 0.00 0.00 0.00 51.96 50.87 1xs1 s ALA 80 Cb -0.10 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1xs1 s ALA 80 CO 0.16 0.38 0.12 0.12 0.00 0.00 0.00 175.76 176.54 1xs1 s PHE 81 N -1.98 3.14 -0.30 0.00 5.36 -0.12 -4.94 117.98 119.14 1xs1 s PHE 81 Ca 0.27 -0.19 -0.17 0.00 -0.96 0.00 0.00 56.93 55.89 1xs1 s PHE 81 Cb -0.08 -2.30 -0.02 0.00 -0.34 0.00 0.00 43.02 40.28 1xs1 s PHE 81 CO 0.17 -0.27 0.46 0.71 -1.46 0.00 0.00 175.22 174.82 1xs1 s TYR 82 N 1.67 3.23 -0.43 10.12 1.51 -1.26 -0.89 117.35 131.30 1xs1 s TYR 82 Ca 0.07 0.37 -0.16 0.00 -1.01 0.00 0.00 57.07 56.35 1xs1 s TYR 82 Cb -0.15 -2.73 0.03 0.00 -0.11 0.00 0.00 41.96 39.00 1xs1 s TYR 82 CO 0.07 -0.35 0.35 -1.17 -1.11 0.00 0.00 175.55 173.33 1xs1 s LEU 83 N 2.24 5.16 0.26 -1.29 2.96 -0.46 -4.94 118.68 122.60 1xs1 s LEU 83 Ca 0.18 -0.94 -0.21 0.00 -0.22 0.00 0.00 54.13 52.94 1xs1 s LEU 83 Cb -0.16 -2.21 -0.09 0.00 0.50 0.00 0.00 46.19 44.24 1xs1 s LEU 83 CO 0.11 -0.52 0.78 -1.00 -1.32 0.00 0.00 176.35 174.40 1xs1 s HIS 84 N 1.78 3.62 0.09 5.38 3.76 -1.26 -1.51 115.29 127.15 1xs1 s HIS 84 Ca 0.06 1.46 -0.36 0.00 -0.15 0.00 0.00 55.06 56.07 1xs1 s HIS 84 Cb -0.20 -2.68 -0.17 0.00 1.11 0.00 0.00 32.58 30.64 1xs1 s HIS 84 CO 0.10 0.28 1.15 -2.30 -0.85 0.00 0.00 174.74 173.12 1xs1 n PRO 85 N 0.56 0.73 -0.30 8.40 -0.02 -1.26 -1.51 135.00 141.60 1xs1 n PRO 85 Ca -0.01 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1xs1 n PRO 85 Cb 0.51 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1xs1 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xs1 n GLY 86 N 2.04 1.03 3.82 -1.23 0.00 -0.26 -5.00 105.19 105.60 1xs1 n GLY 86 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1xs1 n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xs1 s GLU 87 N -0.51 3.76 -0.15 1.61 0.41 -0.57 -4.96 118.70 118.30 1xs1 s GLU 87 Ca 0.00 -0.07 -0.07 0.00 -0.41 0.00 0.00 54.97 54.42 1xs1 s GLU 87 Cb 0.00 -3.28 -0.04 0.00 -1.78 0.00 0.00 34.13 29.03 1xs1 s GLU 87 CO 0.00 0.59 0.10 -1.17 -0.49 0.00 0.00 175.26 174.29 1xs1 s LEU 88 N -0.53 4.11 0.04 1.80 2.96 -1.26 -2.87 118.68 122.93 1xs1 s LEU 88 Ca 0.14 0.29 -0.06 0.00 -0.22 0.00 0.00 54.13 54.28 1xs1 s LEU 88 Cb -0.12 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 1xs1 s LEU 88 CO 0.03 0.31 0.10 0.00 -1.32 0.00 0.00 176.35 175.47 1xs1 s ALA 89 N -0.41 -0.04 0.04 5.97 0.00 -0.48 -4.65 121.76 122.18 1xs1 s ALA 89 Ca 0.11 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.43 1xs1 s ALA 89 Cb -0.12 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1xs1 s ALA 89 CO 0.02 -0.34 0.25 -0.51 0.00 0.00 0.00 175.76 175.17 1xs1 s LEU 90 N -2.27 4.35 0.00 0.00 1.43 0.34 -1.15 118.68 121.39 1xs1 s LEU 90 Ca -0.03 0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1xs1 s LEU 90 Cb 0.00 -2.83 0.00 0.00 0.03 0.00 0.00 46.19 43.40 1xs1 s LEU 90 CO -0.06 0.20 0.14 0.00 0.23 0.00 0.00 176.35 176.87 1xs1 n ALA 91 N 0.70 -0.16 -3.12 4.21 0.00 -0.44 -2.05 120.51 119.65 1xs1 n ALA 91 Ca -0.08 -0.38 -0.12 0.00 0.00 0.00 0.00 53.44 52.86 1xs1 n ALA 91 Cb 0.52 0.31 -0.09 0.00 0.00 0.00 0.00 19.45 20.19 1xs1 n ALA 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xs1 s VAL 92 N -2.58 0.08 0.49 0.00 0.11 -1.24 -0.87 120.40 116.38 1xs1 s VAL 92 Ca 0.06 -0.63 -0.20 0.00 -2.93 0.00 0.00 61.98 58.28 1xs1 s VAL 92 Cb -0.00 -0.61 -0.08 0.00 -1.53 0.00 0.00 36.38 34.15 1xs1 s VAL 92 CO 0.05 -0.35 1.04 0.42 -3.33 0.00 0.00 175.10 172.93 1xs1 s THR 93 N -1.60 3.76 0.18 5.04 -4.23 0.12 -0.47 115.64 118.45 1xs1 s THR 93 Ca -0.12 1.10 -0.14 0.00 -1.18 0.00 0.00 61.69 61.35 1xs1 s THR 93 Cb -0.05 -3.44 0.07 0.00 1.34 0.00 0.00 72.50 70.41 1xs1 s THR 93 CO 0.02 -0.23 1.78 0.25 -0.54 0.00 0.00 174.62 175.89 1xs1 h LEU 94 N 1.56 0.34 -9.70 4.79 5.85 -1.24 -3.40 115.31 113.51 1xs1 h LEU 94 Ca -0.50 0.03 -0.50 0.00 0.84 0.00 0.00 57.88 57.75 1xs1 h LEU 94 Cb 1.22 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1xs1 h LEU 94 CO 0.59 0.24 0.33 -1.61 -0.34 0.00 0.00 178.44 177.65 1xs1 s GLU 95 N -6.14 4.79 0.00 1.25 8.01 -1.26 -4.77 118.70 120.58 1xs1 s GLU 95 Ca -0.13 1.44 -0.17 0.00 0.01 0.00 0.00 54.97 56.13 1xs1 s GLU 95 Cb 0.13 -3.30 -0.06 0.00 -4.31 0.00 0.00 34.13 26.60 1xs1 s GLU 95 CO 0.73 0.45 0.47 0.45 0.01 0.00 0.00 175.26 177.37 1xs1 s SER 96 N -0.90 6.86 -0.06 -0.19 0.15 0.36 -4.00 113.70 115.92 1xs1 s SER 96 Ca 0.42 1.03 0.04 0.00 0.70 0.00 0.00 55.95 58.13 1xs1 s SER 96 Cb -0.25 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1xs1 s SER 96 CO 0.31 0.26 -0.18 -0.69 1.20 0.00 0.00 173.24 174.14 1xs1 s VAL 97 N -0.80 1.53 -0.13 4.45 1.01 -0.95 0.21 120.40 125.72 1xs1 s VAL 97 Ca 0.26 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1xs1 s VAL 97 Cb -0.17 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.89 1xs1 s VAL 97 CO 0.14 0.44 -0.18 -0.89 0.00 0.00 0.00 175.10 174.61 1xs1 s THR 98 N 0.30 1.77 -0.12 3.92 2.01 0.26 -1.74 115.64 122.02 1xs1 s THR 98 Ca -0.11 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.06 1xs1 s THR 98 Cb -0.15 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 1xs1 s THR 98 CO 0.04 0.49 0.03 -0.76 -0.69 0.00 0.00 174.62 173.74 1xs1 s LEU 99 N 1.00 3.73 0.00 4.42 1.43 0.19 -1.60 118.68 127.84 1xs1 s LEU 99 Ca -0.05 0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 1xs1 s LEU 99 Cb -0.15 -1.89 0.22 0.00 0.03 0.00 0.00 46.19 44.40 1xs1 s LEU 99 CO -0.04 0.31 0.85 -0.81 0.23 0.00 0.00 176.35 176.89 1xs1 n PRO 100 N 2.62 -2.31 0.07 1.29 -0.04 -1.24 -1.75 135.00 133.64 1xs1 n PRO 100 Ca -0.18 -1.35 0.13 0.00 -0.04 0.00 0.00 63.50 62.06 1xs1 n PRO 100 Cb 0.53 -1.19 0.48 0.00 -0.04 0.00 0.00 33.50 33.28 1xs1 n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xs1 n ALA 101 N -4.26 2.21 -1.40 0.55 0.00 -1.26 -2.26 120.51 114.09 1xs1 n ALA 101 Ca -0.16 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1xs1 n ALA 101 Cb 0.44 -1.45 0.20 0.00 0.00 0.00 0.00 19.45 18.64 1xs1 n ALA 101 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1xs1 n ASP 102 N -1.99 2.47 -3.89 0.00 5.75 -1.26 -0.50 116.55 117.14 1xs1 n ASP 102 Ca 0.06 -3.66 -0.11 0.00 -0.01 0.00 0.00 54.79 51.06 1xs1 n ASP 102 Cb 0.37 -0.59 -0.13 0.00 -1.03 0.00 0.00 41.12 39.74 1xs1 n ASP 102 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1xs1 s LEU 103 N -3.17 1.96 0.06 -2.12 2.96 -1.25 -0.89 118.68 116.24 1xs1 s LEU 103 Ca 0.42 -0.07 0.08 0.00 -0.22 0.00 0.00 54.13 54.33 1xs1 s LEU 103 Cb 0.38 0.12 -0.03 0.00 0.50 0.00 0.00 46.19 47.16 1xs1 s LEU 103 CO -0.00 -0.09 -0.21 0.54 -1.32 0.00 0.00 176.35 175.27 1xs1 s VAL 104 N -0.36 1.73 0.29 1.68 0.11 -0.37 -3.09 120.40 120.40 1xs1 s VAL 104 Ca -0.04 -1.34 0.08 0.00 -2.93 0.00 0.00 61.98 57.76 1xs1 s VAL 104 Cb -0.03 -1.53 -0.04 0.00 -1.53 0.00 0.00 36.38 33.26 1xs1 s VAL 104 CO -0.00 0.13 0.12 -0.83 -3.33 0.00 0.00 175.10 171.19 1xs1 s GLY 105 N -1.44 1.70 -0.08 6.54 0.00 0.13 -0.26 107.32 113.91 1xs1 s GLY 105 Ca 0.08 -1.66 -0.05 0.00 0.00 0.00 0.00 44.72 43.09 1xs1 s GLY 105 CO 0.03 -1.65 0.20 -0.98 0.00 0.00 0.00 173.10 170.69 1xs1 s TRP 106 N -2.31 -0.24 -0.18 1.90 0.52 -0.59 -1.69 118.94 116.35 1xs1 s TRP 106 Ca 0.35 0.62 -0.10 0.00 0.02 0.00 0.00 56.10 56.98 1xs1 s TRP 106 Cb -0.05 0.01 -0.05 0.00 -1.15 0.00 0.00 33.47 32.23 1xs1 s TRP 106 CO 0.23 -0.18 0.16 -1.17 0.02 0.00 0.00 176.95 176.00 1xs1 s LEU 107 N 0.96 4.25 0.11 2.99 2.96 -0.18 -1.68 118.68 128.08 1xs1 s LEU 107 Ca -0.07 0.32 0.05 0.00 -0.22 0.00 0.00 54.13 54.20 1xs1 s LEU 107 Cb -0.09 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1xs1 s LEU 107 CO -0.06 0.22 0.04 -1.81 -1.32 0.00 0.00 176.35 173.42 1xs1 s ASP 108 N 0.09 5.23 0.00 3.68 1.01 0.22 -4.85 116.67 122.05 1xs1 s ASP 108 Ca 0.11 -0.14 0.00 0.00 0.71 0.00 0.00 52.55 53.23 1xs1 s ASP 108 Cb -0.12 -1.30 0.00 0.00 1.01 0.00 0.00 42.92 42.51 1xs1 s ASP 108 CO 0.00 0.15 0.00 0.61 0.21 0.00 0.00 175.17 176.14 1xs1 n GLY 109 N 0.34 0.88 2.95 0.21 0.00 -1.26 0.09 105.19 108.40 1xs1 n GLY 109 Ca -0.10 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 1xs1 n GLY 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xs1 s ARG 110 N 0.00 0.10 0.31 1.61 0.52 -1.26 -3.78 118.95 116.44 1xs1 s ARG 110 Ca 0.00 0.15 0.03 0.00 -0.52 0.00 0.00 55.73 55.39 1xs1 s ARG 110 Cb 0.00 0.02 0.60 0.00 0.52 0.00 0.00 34.95 36.09 1xs1 s ARG 110 CO 0.00 -0.03 1.87 1.03 0.02 0.00 0.00 175.30 178.19 1xs1 h SER 111 N 6.18 0.86 -0.10 0.23 0.87 -1.99 0.52 113.55 120.13 1xs1 h SER 111 Ca -0.27 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.29 1xs1 h SER 111 Cb 1.19 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 1xs1 h SER 111 CO 0.45 0.49 -0.00 0.28 -0.53 0.00 0.00 176.83 177.52 1xs1 h SER 112 N 0.94 0.26 0.46 6.23 0.02 -1.99 -1.93 113.55 117.54 1xs1 h SER 112 Ca 0.44 -0.03 -0.30 0.00 -0.84 0.00 0.00 61.79 61.06 1xs1 h SER 112 Cb 0.42 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1xs1 h SER 112 CO -0.20 0.31 -1.55 -0.07 -1.14 0.00 0.00 176.83 174.17 1xs1 h LEU 113 N 0.28 0.34 -1.49 5.07 3.38 -1.37 -3.30 115.31 118.22 1xs1 h LEU 113 Ca 0.07 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.60 1xs1 h LEU 113 Cb 0.20 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1xs1 h LEU 113 CO 0.00 1.42 0.41 0.00 0.09 0.00 0.00 178.44 180.36 1xs1 h ALA 114 N 0.53 1.77 -0.01 1.53 0.00 0.31 -1.50 119.26 121.89 1xs1 h ALA 114 Ca -0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xs1 h ALA 114 Cb 2.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1xs1 h ALA 114 CO 0.15 0.13 0.00 0.54 0.00 0.00 0.00 179.25 180.07 1xs1 n ARG 115 N -4.47 1.08 -0.05 0.00 1.74 -0.76 -1.83 116.66 112.38 1xs1 n ARG 115 Ca 0.09 -0.12 0.03 0.00 -0.77 0.00 0.00 57.85 57.07 1xs1 n ARG 115 Cb 0.21 -1.44 0.05 0.00 -1.02 0.00 0.00 32.46 30.27 1xs1 n ARG 115 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xs1 n LEU 116 N -0.79 2.03 0.00 0.55 4.77 -0.65 -5.00 117.00 117.91 1xs1 n LEU 116 Ca 0.21 -1.56 0.00 0.00 -0.03 0.00 0.00 56.01 54.63 1xs1 n LEU 116 Cb 0.13 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1xs1 n LEU 116 CO 0.16 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1xs1 n GLY 117 N 0.15 0.71 3.52 -0.72 0.00 -0.76 -4.05 105.19 104.04 1xs1 n GLY 117 Ca 0.05 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1xs1 n GLY 117 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xs1 s LEU 118 N 0.00 4.03 0.21 0.99 2.96 -0.71 -1.20 118.68 124.96 1xs1 s LEU 118 Ca 0.00 -0.42 -0.30 0.00 -0.22 0.00 0.00 54.13 53.19 1xs1 s LEU 118 Cb 0.00 -2.77 -0.08 0.00 0.50 0.00 0.00 46.19 43.83 1xs1 s LEU 118 CO 0.00 -1.32 0.98 -0.04 -1.32 0.00 0.00 176.35 174.65 1xs1 s MET 119 N 4.16 4.77 0.00 1.98 -1.94 -0.75 -4.22 119.30 123.30 1xs1 s MET 119 Ca 0.30 1.54 0.15 0.00 -1.71 0.00 0.00 55.69 55.97 1xs1 s MET 119 Cb -0.13 -3.29 0.04 0.00 2.01 0.00 0.00 34.83 33.46 1xs1 s MET 119 CO 0.18 0.37 0.85 1.33 -0.01 0.00 0.00 175.02 177.74 1xs1 n VAL 120 N 1.83 0.00 -3.89 -6.03 0.24 -1.26 -2.14 118.33 107.08 1xs1 n VAL 120 Ca -0.00 -0.40 -0.10 0.00 -2.04 0.00 0.00 64.34 61.80 1xs1 n VAL 120 Cb 0.47 1.22 -0.06 0.00 -1.47 0.00 0.00 33.84 34.00 1xs1 n VAL 120 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 1xs1 s HIS 121 N -1.59 0.22 -0.71 6.34 -3.43 -1.05 -1.61 115.29 113.47 1xs1 s HIS 121 Ca 0.14 -0.58 0.04 0.00 -0.80 0.00 0.00 55.06 53.86 1xs1 s HIS 121 Cb 0.12 0.09 0.17 0.00 -1.43 0.00 0.00 32.58 31.53 1xs1 s HIS 121 CO 0.31 -0.78 0.51 0.08 -2.00 0.00 0.00 174.74 172.85 1xs1 s VAL 122 N -3.93 3.01 -0.87 -5.38 1.01 -1.26 -4.83 120.40 108.13 1xs1 s VAL 122 Ca 0.14 -4.22 -0.22 0.00 0.00 0.00 0.00 61.98 57.68 1xs1 s VAL 122 Cb 0.02 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.46 1xs1 s VAL 122 CO -0.01 -1.00 0.42 0.35 0.00 0.00 0.00 175.10 174.86 1xs1 n THR 123 N 2.04 -1.69 -3.19 3.92 -2.24 -1.26 -4.94 114.28 106.91 1xs1 n THR 123 Ca 0.19 -0.40 0.02 0.00 -2.27 0.00 0.00 64.05 61.58 1xs1 n THR 123 Cb 0.35 -1.45 -0.01 0.00 -2.10 0.00 0.00 70.33 67.12 1xs1 n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xs1 s ALA 124 N -3.98 -2.41 -0.04 6.98 0.00 -1.26 -5.04 121.76 116.01 1xs1 s ALA 124 Ca 0.31 0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.75 1xs1 s ALA 124 Cb -0.17 -2.70 0.12 0.00 0.00 0.00 0.00 23.12 20.37 1xs1 s ALA 124 CO 0.68 -2.14 1.06 -2.39 0.00 0.00 0.00 175.76 172.97 1xs1 n HIS 125 N 4.62 0.00 -3.32 0.00 -0.00 -1.26 -4.90 115.22 110.37 1xs1 n HIS 125 Ca 0.10 -0.37 -0.38 0.00 -0.00 0.00 0.00 57.72 57.07 1xs1 n HIS 125 Cb 0.56 -0.09 -0.06 0.00 -0.00 0.00 0.00 29.99 30.40 1xs1 n HIS 125 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1xs1 s ARG 126 N -0.93 4.31 -0.27 -1.40 3.52 -1.26 -1.02 118.95 121.90 1xs1 s ARG 126 Ca 0.13 0.42 -0.04 0.00 -0.13 0.00 0.00 55.73 56.10 1xs1 s ARG 126 Cb 0.12 -3.46 0.01 0.00 -1.56 0.00 0.00 34.95 30.06 1xs1 s ARG 126 CO -0.00 0.11 0.01 0.42 -0.81 0.00 0.00 175.30 175.02 1xs1 s ILE 127 N 0.80 3.47 0.57 4.11 -1.09 -0.68 -5.00 121.20 123.38 1xs1 s ILE 127 Ca 0.25 -0.79 -0.14 0.00 -2.23 0.00 0.00 60.65 57.74 1xs1 s ILE 127 Cb -0.15 -2.76 -0.06 0.00 -1.58 0.00 0.00 42.46 37.91 1xs1 s ILE 127 CO 0.10 0.17 1.01 -1.81 -1.23 0.00 0.00 174.94 173.17 1xs1 s ASP 128 N 1.43 6.42 0.06 3.58 1.01 -1.26 0.17 116.67 128.07 1xs1 s ASP 128 Ca 0.02 1.49 -0.33 0.00 0.71 0.00 0.00 52.55 54.44 1xs1 s ASP 128 Cb -0.17 -2.49 -0.12 0.00 1.01 0.00 0.00 42.92 41.15 1xs1 s ASP 128 CO -0.01 -0.73 1.75 -0.81 0.21 0.00 0.00 175.17 175.58 1xs1 n PRO 129 N -2.19 2.30 0.00 8.23 -0.04 -1.18 -1.60 135.00 140.53 1xs1 n PRO 129 Ca 0.06 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 1xs1 n PRO 129 Cb 0.54 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1xs1 n PRO 129 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xs1 n GLY 130 N 3.97 0.29 3.77 0.55 0.00 -0.72 -0.02 105.19 113.02 1xs1 n GLY 130 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1xs1 n GLY 130 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xs1 s TRP 131 N -2.00 2.55 -0.21 1.61 -0.11 -0.63 -3.26 118.94 116.90 1xs1 s TRP 131 Ca 0.00 1.29 -0.05 0.00 1.22 0.00 0.00 56.10 58.56 1xs1 s TRP 131 Cb 0.00 -3.87 0.10 0.00 -1.50 0.00 0.00 33.47 28.20 1xs1 s TRP 131 CO 0.00 -2.75 0.37 0.45 -4.62 0.00 0.00 176.95 170.40 1xs1 s SER 132 N -0.52 0.10 0.00 5.86 0.15 -1.25 -0.64 113.70 117.39 1xs1 s SER 132 Ca 0.59 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.82 1xs1 s SER 132 Cb -0.43 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.01 1xs1 s SER 132 CO 0.55 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.34 1xs1 n GLY 133 N 5.37 3.22 3.75 9.45 0.00 -0.71 -4.35 105.19 121.92 1xs1 n GLY 133 Ca -0.06 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 1xs1 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs1 s ILE 135 N -1.61 5.38 0.12 0.00 1.01 -1.26 -4.84 121.20 120.01 1xs1 s ILE 135 Ca 0.78 0.23 -0.27 0.00 0.00 0.00 0.00 60.65 61.38 1xs1 s ILE 135 Cb -0.31 -3.50 -0.07 0.00 0.01 0.00 0.00 42.46 38.60 1xs1 s ILE 135 CO 0.35 0.41 0.85 -0.69 0.00 0.00 0.00 174.94 175.85 1xs1 s VAL 136 N 0.57 4.48 0.03 2.92 1.01 -1.26 0.16 120.40 128.31 1xs1 s VAL 136 Ca 0.09 1.83 0.03 0.00 0.00 0.00 0.00 61.98 63.93 1xs1 s VAL 136 Cb -0.12 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1xs1 s VAL 136 CO 0.00 0.41 -0.00 -0.76 0.00 0.00 0.00 175.10 174.75 1xs1 s LEU 137 N -0.48 3.47 -0.35 3.92 1.43 -0.05 -4.95 118.68 121.68 1xs1 s LEU 137 Ca 0.40 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.45 1xs1 s LEU 137 Cb -0.23 -2.06 0.10 0.00 0.03 0.00 0.00 46.19 44.03 1xs1 s LEU 137 CO 0.27 0.25 0.08 -1.61 0.23 0.00 0.00 176.35 175.56 1xs1 s GLU 138 N -1.78 1.68 0.11 1.70 8.01 -0.63 -1.32 118.70 126.47 1xs1 s GLU 138 Ca 0.21 -1.81 -0.29 0.00 0.01 0.00 0.00 54.97 53.09 1xs1 s GLU 138 Cb -0.12 -3.28 -0.06 0.00 -4.31 0.00 0.00 34.13 26.36 1xs1 s GLU 138 CO 0.13 -0.94 0.92 -0.06 0.01 0.00 0.00 175.26 175.32 1xs1 s PHE 139 N 0.98 3.82 -0.05 1.61 2.99 -0.30 -2.51 117.98 124.52 1xs1 s PHE 139 Ca 0.09 1.76 -0.02 0.00 0.00 0.00 0.00 56.93 58.76 1xs1 s PHE 139 Cb -0.20 -3.00 0.04 0.00 0.00 0.00 0.00 43.02 39.85 1xs1 s PHE 139 CO -0.07 0.25 0.09 -0.47 -0.00 0.00 0.00 175.22 175.02 1xs1 s TYR 140 N -0.16 -0.05 -0.57 0.36 5.04 -0.91 -1.38 117.35 119.69 1xs1 s TYR 140 Ca 0.45 0.34 -0.18 0.00 -2.44 0.00 0.00 57.07 55.23 1xs1 s TYR 140 Cb -0.23 -0.26 0.10 0.00 0.35 0.00 0.00 41.96 41.92 1xs1 s TYR 140 CO 0.29 -0.17 0.65 1.21 -1.34 0.00 0.00 175.55 176.19 1xs1 s ASN 141 N 1.58 6.19 0.00 4.32 3.84 -1.14 -1.82 114.94 127.91 1xs1 s ASN 141 Ca -0.04 -1.41 0.18 0.00 0.21 0.00 0.00 52.86 51.80 1xs1 s ASN 141 Cb -0.12 -2.28 0.51 0.00 -0.55 0.00 0.00 41.25 38.81 1xs1 s ASN 141 CO -0.04 -1.02 1.41 -1.54 -2.79 0.00 0.00 177.10 173.12 1xs1 n SER 142 N 6.10 2.48 -1.51 -4.21 3.41 -0.34 -1.10 113.62 118.45 1xs1 n SER 142 Ca -0.10 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 1xs1 n SER 142 Cb 0.43 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1xs1 n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xs1 n GLY 143 N 1.27 0.85 0.00 5.00 0.00 -1.26 -4.87 105.19 106.19 1xs1 n GLY 143 Ca 0.17 -1.92 0.05 0.00 0.00 0.00 0.00 46.02 44.32 1xs1 n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xs1 n LYS 144 N -0.44 2.36 -5.00 1.61 4.76 -1.26 -4.72 118.16 115.46 1xs1 n LYS 144 Ca 0.00 -0.04 -0.29 0.00 -2.87 0.00 0.00 58.31 55.12 1xs1 n LYS 144 Cb 0.00 -1.09 -0.15 0.00 -1.84 0.00 0.00 35.03 31.95 1xs1 n LYS 144 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1xs1 s LEU 145 N -2.96 2.10 0.24 -0.35 1.02 -1.26 -4.90 118.68 112.56 1xs1 s LEU 145 Ca 0.01 -0.48 -0.31 0.00 0.02 0.00 0.00 54.13 53.36 1xs1 s LEU 145 Cb 0.08 -1.18 -0.13 0.00 0.02 0.00 0.00 46.19 44.97 1xs1 s LEU 145 CO 0.44 0.26 1.46 -2.65 0.02 0.00 0.00 176.35 175.88 1xs1 n PRO 146 N 2.20 2.16 -4.34 1.29 -0.02 -1.26 -4.55 135.00 130.48 1xs1 n PRO 146 Ca -0.16 0.77 -0.34 0.00 -2.02 0.00 0.00 63.50 61.75 1xs1 n PRO 146 Cb 0.52 -2.46 -0.14 0.00 -0.02 0.00 0.00 33.50 31.39 1xs1 n PRO 146 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xs1 s LEU 147 N 0.13 2.69 -0.19 2.45 1.43 -0.57 -4.95 118.68 119.67 1xs1 s LEU 147 Ca 0.69 -0.40 -0.28 0.00 -1.03 0.00 0.00 54.13 53.10 1xs1 s LEU 147 Cb -0.63 -1.64 -0.00 0.00 0.03 0.00 0.00 46.19 43.95 1xs1 s LEU 147 CO 0.48 0.07 0.98 0.00 0.23 0.00 0.00 176.35 178.11 1xs1 s ALA 148 N 0.94 3.59 -0.16 4.21 0.00 -1.26 -1.36 121.76 127.71 1xs1 s ALA 148 Ca -0.02 0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.07 1xs1 s ALA 148 Cb -0.15 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1xs1 s ALA 148 CO -0.01 -0.86 0.02 -0.51 0.00 0.00 0.00 175.76 174.40 1xs1 s LEU 149 N 2.71 3.61 -0.02 0.00 1.43 -0.07 -4.94 118.68 121.39 1xs1 s LEU 149 Ca 0.44 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.59 1xs1 s LEU 149 Cb -0.16 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 44.17 1xs1 s LEU 149 CO 0.10 0.20 -0.11 -0.13 0.23 0.00 0.00 176.35 176.64 1xs1 s ARG 150 N 0.20 1.13 0.19 1.70 0.52 -1.26 -0.95 118.95 120.47 1xs1 s ARG 150 Ca 0.02 -0.40 -0.31 0.00 -0.52 0.00 0.00 55.73 54.52 1xs1 s ARG 150 Cb -0.13 -1.04 -0.16 0.00 0.52 0.00 0.00 34.95 34.14 1xs1 s ARG 150 CO 0.01 0.18 0.89 -2.30 0.02 0.00 0.00 175.30 174.10 1xs1 n PRO 151 N 3.13 0.66 0.00 3.54 -0.02 -1.26 -2.59 135.00 138.46 1xs1 n PRO 151 Ca -0.17 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1xs1 n PRO 151 Cb 0.54 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 1xs1 n PRO 151 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xs1 n GLY 152 N 1.75 2.31 3.76 -1.23 0.00 0.53 -4.97 105.19 107.35 1xs1 n GLY 152 Ca 0.15 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1xs1 n GLY 152 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1xs1 s MET 153 N 0.00 3.52 0.04 1.61 0.23 -1.07 -4.55 119.30 119.08 1xs1 s MET 153 Ca 0.00 2.19 -0.31 0.00 -1.03 0.00 0.00 55.69 56.55 1xs1 s MET 153 Cb 0.00 -2.47 -0.10 0.00 -1.53 0.00 0.00 34.83 30.74 1xs1 s MET 153 CO 0.00 -0.87 1.94 1.28 -2.03 0.00 0.00 175.02 175.34 1xs1 n LEU 154 N -0.53 4.07 -0.00 0.18 4.77 -1.26 -1.41 117.00 122.82 1xs1 n LEU 154 Ca 0.07 0.92 0.00 0.00 -0.03 0.00 0.00 56.01 56.98 1xs1 n LEU 154 Cb 0.44 -1.51 -0.00 0.00 -2.33 0.00 0.00 43.42 40.02 1xs1 n LEU 154 CO 0.54 0.17 -0.25 0.00 -1.33 0.00 0.00 177.39 176.52 1xs1 n ILE 155 N 5.35 0.00 -2.90 -0.08 0.13 0.28 -4.89 119.36 117.24 1xs1 n ILE 155 Ca 0.20 -0.25 0.00 0.00 -1.10 0.00 0.00 62.75 61.60 1xs1 n ILE 155 Cb 0.39 0.75 0.00 0.00 -0.84 0.00 0.00 39.64 39.94 1xs1 n ILE 155 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1xs1 n GLY 156 N 1.74 -1.25 3.18 4.50 0.00 -1.10 -4.40 105.19 107.86 1xs1 n GLY 156 Ca 0.00 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 1xs1 n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs1 s ALA 157 N -1.05 -0.27 -0.03 4.61 0.00 0.11 -0.64 121.76 124.50 1xs1 s ALA 157 Ca 0.00 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 51.58 1xs1 s ALA 157 Cb 0.00 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 1xs1 s ALA 157 CO 0.00 -0.42 -0.24 -0.51 0.00 0.00 0.00 175.76 174.59 1xs1 s LEU 158 N -2.41 2.16 0.26 0.00 1.43 -0.53 0.73 118.68 120.32 1xs1 s LEU 158 Ca -0.01 -0.43 0.11 0.00 -1.03 0.00 0.00 54.13 52.77 1xs1 s LEU 158 Cb 0.01 -1.38 -0.05 0.00 0.03 0.00 0.00 46.19 44.81 1xs1 s LEU 158 CO -0.07 0.32 -0.15 -0.94 0.23 0.00 0.00 176.35 175.74 1xs1 s SER 159 N -0.60 3.83 -0.03 2.29 1.04 -0.68 -1.72 113.70 117.82 1xs1 s SER 159 Ca 0.09 -0.89 0.02 0.00 0.48 0.00 0.00 55.95 55.65 1xs1 s SER 159 Cb -0.10 -0.45 0.01 0.00 0.10 0.00 0.00 66.02 65.58 1xs1 s SER 159 CO -0.01 0.05 -0.06 -0.36 0.98 0.00 0.00 173.24 173.84 1xs1 s PHE 160 N -2.30 0.79 -0.18 5.02 0.40 -1.26 -1.55 117.98 118.92 1xs1 s PHE 160 Ca 0.29 -0.21 -0.00 0.00 -0.60 0.00 0.00 56.93 56.41 1xs1 s PHE 160 Cb -0.06 -0.63 0.04 0.00 0.51 0.00 0.00 43.02 42.89 1xs1 s PHE 160 CO 0.15 -0.14 -0.07 -2.00 0.70 0.00 0.00 175.22 173.87 1xs1 s GLU 161 N 0.51 1.60 0.70 0.44 2.12 0.63 -1.58 118.70 123.13 1xs1 s GLU 161 Ca -0.07 -0.61 -0.16 0.00 0.36 0.00 0.00 54.97 54.48 1xs1 s GLU 161 Cb -0.11 -2.13 0.02 0.00 0.26 0.00 0.00 34.13 32.17 1xs1 s GLU 161 CO 0.00 -0.43 1.24 -2.14 -0.54 0.00 0.00 175.26 173.39 1xs1 s PRO 162 N 1.57 2.28 0.48 4.30 0.02 -1.26 -1.24 135.00 141.15 1xs1 s PRO 162 Ca 0.00 1.88 0.04 0.00 0.02 0.00 0.00 61.00 62.94 1xs1 s PRO 162 Cb -0.16 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.55 1xs1 s PRO 162 CO -0.08 -1.76 0.67 -0.51 -0.33 0.00 0.00 177.00 174.99 1xs1 s LEU 163 N -4.86 3.50 0.60 -5.54 1.43 -0.07 -4.80 118.68 108.94 1xs1 s LEU 163 Ca 0.77 -0.13 0.37 0.00 -1.03 0.00 0.00 54.13 54.11 1xs1 s LEU 163 Cb -0.32 -2.82 1.93 0.00 0.03 0.00 0.00 46.19 45.01 1xs1 s LEU 163 CO 0.43 -0.91 2.22 0.77 0.23 0.00 0.00 176.35 179.08 1xs1 h SER 164 N 0.36 0.00 -5.05 2.29 4.64 -1.95 -3.46 113.55 110.39 1xs1 h SER 164 Ca -0.42 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 61.19 1xs1 h SER 164 Cb 1.28 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.22 1xs1 h SER 164 CO 0.50 0.03 0.82 -0.83 -0.87 0.00 0.00 176.83 176.48 1xs1 s GLY 165 N -4.16 -0.35 0.31 -0.77 0.00 -1.26 -5.13 107.32 95.95 1xs1 s GLY 165 Ca -0.03 1.13 -0.30 0.00 0.00 0.00 0.00 44.72 45.52 1xs1 s GLY 165 CO 0.49 0.32 1.55 -1.05 0.00 0.00 0.00 173.10 174.41 1xs1 n PRO 166 N -0.30 2.64 -2.41 2.90 -0.02 -1.26 -4.65 135.00 131.90 1xs1 n PRO 166 Ca -0.04 0.94 -0.35 0.00 -2.02 0.00 0.00 63.50 62.02 1xs1 n PRO 166 Cb 0.61 -2.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.37 1xs1 n PRO 166 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xs1 s ALA 167 N -0.30 2.83 -0.29 3.55 0.00 0.35 -4.93 121.76 122.97 1xs1 s ALA 167 Ca 0.61 0.73 0.22 0.00 0.00 0.00 0.00 51.96 53.53 1xs1 s ALA 167 Cb -0.50 -3.31 0.10 0.00 0.00 0.00 0.00 23.12 19.41 1xs1 s ALA 167 CO 0.53 -0.51 1.21 0.28 0.00 0.00 0.00 175.76 177.27 1xs1 h VAL 168 N 1.51 0.05 -2.08 0.00 2.07 -1.91 -3.38 116.25 112.51 1xs1 h VAL 168 Ca -0.50 -1.09 -0.58 0.00 0.82 0.00 0.00 66.70 65.36 1xs1 h VAL 168 Cb 1.24 1.71 -0.40 0.00 -1.52 0.00 0.00 31.29 32.31 1xs1 h VAL 168 CO 0.59 0.03 -0.91 0.54 0.02 0.00 0.00 177.57 177.84 1xs1 n ARG 169 N -2.83 1.40 -1.22 1.57 1.74 -1.26 -5.04 116.66 111.02 1xs1 n ARG 169 Ca 0.01 -3.78 -0.30 0.00 -0.77 0.00 0.00 57.85 53.01 1xs1 n ARG 169 Cb 0.57 -1.62 0.14 0.00 -1.02 0.00 0.00 32.46 30.53 1xs1 n ARG 169 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1xs1 s PRO 170 N -1.66 1.27 0.25 5.56 0.04 -1.26 -4.72 135.00 134.48 1xs1 s PRO 170 Ca 0.37 0.81 -0.03 0.00 0.04 0.00 0.00 61.00 62.18 1xs1 s PRO 170 Cb 0.16 -1.81 0.31 0.00 0.04 0.00 0.00 34.50 33.20 1xs1 s PRO 170 CO -0.07 -2.23 1.78 -0.92 0.04 0.00 0.00 177.00 175.60 1xs1 h TYR 171 N -1.54 0.93 0.00 0.56 3.20 -0.67 -1.84 116.97 117.62 1xs1 h TYR 171 Ca -0.49 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.27 1xs1 h TYR 171 Cb 1.28 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.29 1xs1 h TYR 171 CO 0.42 0.80 0.00 0.27 -1.64 0.00 0.00 178.16 178.01 1xs1 n ASN 172 N -4.24 0.00 0.00 -2.11 6.94 -1.20 -3.06 115.26 111.58 1xs1 n ASN 172 Ca 0.04 0.22 0.00 0.00 -0.02 0.00 0.00 54.58 54.82 1xs1 n ASN 172 Cb 0.26 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 1xs1 n ASN 172 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1xs1 n ARG 173 N -1.35 2.45 -1.67 -3.83 1.74 -0.82 -5.03 116.66 108.14 1xs1 n ARG 173 Ca 0.05 0.00 -0.48 0.00 -0.77 0.00 0.00 57.85 56.66 1xs1 n ARG 173 Cb 0.12 -0.99 -0.05 0.00 -1.02 0.00 0.00 32.46 30.52 1xs1 n ARG 173 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1xs1 n ARG 174 N -1.77 2.11 0.24 5.56 0.63 -0.76 -4.82 116.66 117.85 1xs1 n ARG 174 Ca 0.00 0.77 0.10 0.00 -0.92 0.00 0.00 57.85 57.79 1xs1 n ARG 174 Cb 0.30 -2.57 0.58 0.00 0.45 0.00 0.00 32.46 31.22 1xs1 n ARG 174 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1xs1 h GLU 175 N 7.57 0.00 -0.22 -0.14 -0.00 -1.92 -2.60 114.58 117.26 1xs1 h GLU 175 Ca -0.47 0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 58.79 1xs1 h GLU 175 Cb 1.27 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.95 1xs1 h GLU 175 CO 0.92 0.20 -0.20 -0.40 -0.00 0.00 0.00 179.01 179.53 1xs1 n ASP 176 N -3.69 2.30 -4.70 3.06 5.75 -1.26 -4.98 116.55 113.03 1xs1 n ASP 176 Ca -0.01 -3.75 -0.42 0.00 -0.01 0.00 0.00 54.79 50.60 1xs1 n ASP 176 Cb 0.32 -0.59 -0.03 0.00 -1.03 0.00 0.00 41.12 39.79 1xs1 n ASP 176 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xs1 s ALA 177 N -3.21 3.71 0.10 2.12 0.00 -0.98 -4.92 121.76 118.57 1xs1 s ALA 177 Ca 0.42 1.25 0.06 0.00 0.00 0.00 0.00 51.96 53.68 1xs1 s ALA 177 Cb 0.39 -3.64 -0.22 0.00 0.00 0.00 0.00 23.12 19.64 1xs1 s ALA 177 CO -0.02 -0.90 1.19 0.87 0.00 0.00 0.00 175.76 176.91 1xs1 h LYS 178 N 7.48 0.05 -0.39 0.00 1.57 -1.93 -3.40 116.57 119.94 1xs1 h LYS 178 Ca -0.42 -0.08 -0.28 0.00 -1.87 0.00 0.00 60.65 57.99 1xs1 h LYS 178 Cb 1.20 0.03 -0.22 0.00 0.08 0.00 0.00 32.23 33.32 1xs1 h LYS 178 CO 0.91 0.99 -0.65 0.66 -0.57 0.00 0.00 179.45 180.80 1xs1 n TYR 179 N -3.35 1.42 -1.22 -1.35 4.02 -1.26 -5.02 117.16 110.41 1xs1 n TYR 179 Ca -0.03 -1.87 -0.31 0.00 -0.01 0.00 0.00 57.90 55.67 1xs1 n TYR 179 Cb 0.96 -0.31 0.10 0.00 -0.02 0.00 0.00 39.34 40.08 1xs1 n TYR 179 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1xs1 s ARG 180 N -3.43 2.16 -1.31 -0.72 0.52 -1.26 -3.82 118.95 111.09 1xs1 s ARG 180 Ca 0.45 1.20 -0.07 0.00 -0.52 0.00 0.00 55.73 56.79 1xs1 s ARG 180 Cb 0.39 -1.88 -0.00 0.00 0.52 0.00 0.00 34.95 33.98 1xs1 s ARG 180 CO -0.01 -1.73 0.57 -1.71 0.02 0.00 0.00 175.30 172.44 1xs1 n ASN 181 N -3.57 -2.05 -4.52 0.23 5.15 -1.26 -4.93 115.26 104.31 1xs1 n ASN 181 Ca 0.09 -1.00 -0.43 0.00 -0.60 0.00 0.00 54.58 52.65 1xs1 n ASN 181 Cb 0.53 -3.24 -0.05 0.00 -0.53 0.00 0.00 39.78 36.49 1xs1 n ASN 181 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1xs1 s GLN 182 N -6.33 3.33 -0.13 1.20 0.74 -1.25 -4.92 119.66 112.30 1xs1 s GLN 182 Ca 0.16 -0.29 0.19 0.00 0.05 0.00 0.00 55.36 55.47 1xs1 s GLN 182 Cb -0.06 -3.99 -0.27 0.00 1.10 0.00 0.00 33.01 29.79 1xs1 s GLN 182 CO 0.87 -1.22 0.24 1.04 -0.55 0.00 0.00 175.29 175.68 1xs1 n GLN 183 N 6.78 0.68 0.00 1.67 6.02 -1.26 -2.95 117.38 128.32 1xs1 n GLN 183 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1xs1 n GLN 183 Cb 0.48 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.20 1xs1 n GLN 183 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xs1 n GLY 184 N 1.58 5.08 3.30 1.08 0.00 -1.26 -4.89 105.19 110.08 1xs1 n GLY 184 Ca -0.23 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 1xs1 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xs1 n ALA 185 N -3.00 4.24 -2.44 4.61 0.00 -1.26 -4.76 120.51 117.91 1xs1 n ALA 185 Ca 0.00 -4.08 -0.42 0.00 0.00 0.00 0.00 53.44 48.94 1xs1 n ALA 185 Cb 0.00 -3.29 -0.03 0.00 0.00 0.00 0.00 19.45 16.13 1xs1 n ALA 185 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xs1 s VAL 186 N 2.45 4.18 0.65 0.00 1.01 -1.26 -4.74 120.40 122.69 1xs1 s VAL 186 Ca 0.47 1.60 -0.15 0.00 0.00 0.00 0.00 61.98 63.89 1xs1 s VAL 186 Cb 0.04 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 1xs1 s VAL 186 CO 0.02 0.14 1.11 0.00 0.00 0.00 0.00 175.10 176.37 1xs1 s ALA 187 N 0.90 2.50 0.13 5.51 0.00 -1.26 -4.97 121.76 124.58 1xs1 s ALA 187 Ca 0.56 0.57 -0.34 0.00 0.00 0.00 0.00 51.96 52.75 1xs1 s ALA 187 Cb -0.28 -3.32 -0.17 0.00 0.00 0.00 0.00 23.12 19.36 1xs1 s ALA 187 CO 0.30 -1.21 1.12 0.45 0.00 0.00 0.00 175.76 176.42 1xs1 n SER 188 N -2.30 0.94 -1.95 0.00 2.88 -1.26 -4.90 113.62 107.03 1xs1 n SER 188 Ca 0.10 1.14 -0.23 0.00 -1.33 0.00 0.00 58.87 58.55 1xs1 n SER 188 Cb 0.52 -1.14 0.05 0.00 -0.75 0.00 0.00 64.21 62.89 1xs1 n SER 188 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xs1 n ARG 189 N 1.77 3.24 0.15 -1.46 1.74 -1.26 -4.75 116.66 116.09 1xs1 n ARG 189 Ca 0.17 -3.91 0.17 0.00 -0.77 0.00 0.00 57.85 53.51 1xs1 n ARG 189 Cb 0.21 -2.22 0.77 0.00 -1.02 0.00 0.00 32.46 30.20 1xs1 n ARG 189 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1xs1 h ILE 190 N 1.84 0.58 0.00 0.55 6.09 -1.96 0.72 117.51 125.32 1xs1 h ILE 190 Ca 0.39 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.88 1xs1 h ILE 190 Cb 1.39 0.81 0.00 0.00 0.47 0.00 0.00 36.82 39.49 1xs1 h ILE 190 CO 0.85 0.00 0.00 -2.24 -3.07 0.00 0.00 178.15 173.69 1xs1 h ASP 191 N 0.00 0.00 0.18 2.19 2.03 -1.90 -2.10 116.42 116.82 1xs1 h ASP 191 Ca 0.13 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 1xs1 h ASP 191 Cb 0.63 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.13 1xs1 h ASP 191 CO -0.00 0.00 -0.04 0.29 -1.03 0.00 0.00 179.24 178.46 1xs1 n LYS 192 N -2.51 0.96 0.00 4.15 4.76 0.24 -4.85 118.16 120.91 1xs1 n LYS 192 Ca -0.00 -0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.18 1xs1 n LYS 192 Cb 0.14 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 1xs1 n LYS 192 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78