#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 3.69 0.04 2.12 1.81 -1.26 -3.85 118.95 121.50 1xs1 s ARG 2 Ca 0.00 0.05 -0.30 0.00 -1.72 0.00 0.00 55.73 53.75 1xs1 s ARG 2 Cb 0.00 -2.93 -0.07 0.00 -0.45 0.00 0.00 34.95 31.50 1xs1 s ARG 2 CO 0.00 0.52 1.59 -0.51 -0.68 0.00 0.00 175.30 176.22 1xs1 s LEU 3 N -2.24 4.35 1.00 2.53 1.43 0.19 -4.99 118.68 120.95 1xs1 s LEU 3 Ca 0.36 2.38 -0.12 0.00 -1.03 0.00 0.00 54.13 55.73 1xs1 s LEU 3 Cb -0.13 -3.56 0.19 0.00 0.03 0.00 0.00 46.19 42.72 1xs1 s LEU 3 CO 0.21 -0.85 1.08 0.00 0.23 0.00 0.00 176.35 177.02 1xs1 h ASP 5 N -2.03 0.20 0.11 0.00 3.04 -1.23 0.41 116.42 116.92 1xs1 h ASP 5 Ca -0.53 0.08 -0.09 0.00 -3.24 0.00 0.00 57.03 53.25 1xs1 h ASP 5 Cb 1.30 0.06 -0.01 0.00 -1.04 0.00 0.00 39.33 39.64 1xs1 h ASP 5 CO 0.50 0.12 -0.31 -0.09 -2.04 0.00 0.00 179.24 177.43 1xs1 h ARG 6 N 0.39 0.31 -0.02 4.15 2.43 -1.91 -1.37 114.38 118.34 1xs1 h ARG 6 Ca 0.30 -0.12 -0.15 0.00 -0.81 0.00 0.00 59.98 59.19 1xs1 h ARG 6 Cb 0.36 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1xs1 h ARG 6 CO -0.30 0.59 -0.69 -0.44 -1.51 0.00 0.00 179.97 177.62 1xs1 h ASP 7 N 0.27 0.15 -0.60 -3.80 3.32 -1.70 -1.99 116.42 112.08 1xs1 h ASP 7 Ca 0.04 -0.10 0.09 0.00 0.02 0.00 0.00 57.03 57.08 1xs1 h ASP 7 Cb 0.69 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.12 1xs1 h ASP 7 CO 0.05 0.79 0.22 0.40 -1.72 0.00 0.00 179.24 178.98 1xs1 h ILE 8 N 0.08 0.78 -0.74 0.35 2.04 0.03 0.21 117.51 120.26 1xs1 h ILE 8 Ca -0.01 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 1xs1 h ILE 8 Cb 1.22 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1xs1 h ILE 8 CO 0.10 0.07 0.27 -0.33 0.00 0.00 0.00 178.15 178.26 1xs1 h GLU 9 N 0.40 1.11 -0.82 2.37 5.08 -0.97 -1.59 114.58 120.16 1xs1 h GLU 9 Ca 0.30 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1xs1 h GLU 9 Cb 0.36 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1xs1 h GLU 9 CO -0.30 0.92 0.53 0.00 -1.00 0.00 0.00 179.01 179.16 1xs1 h ALA 10 N 1.21 1.39 0.03 3.43 0.00 -0.42 0.28 119.26 125.18 1xs1 h ALA 10 Ca 0.24 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.86 1xs1 h ALA 10 Cb 0.25 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1xs1 h ALA 10 CO -0.02 0.55 -0.99 -1.49 0.00 0.00 0.00 179.25 177.31 1xs1 h TRP 11 N 1.12 0.46 -0.17 0.00 4.06 -0.25 -2.94 115.95 118.22 1xs1 h TRP 11 Ca 0.30 -0.27 -0.09 0.00 2.06 0.00 0.00 58.89 60.89 1xs1 h TRP 11 Cb -0.11 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 28.01 1xs1 h TRP 11 CO 0.00 1.12 -0.23 -0.07 -3.56 0.00 0.00 178.44 175.69 1xs1 h LEU 12 N 0.15 0.50 -1.14 -4.49 3.38 -0.54 -2.60 115.31 110.57 1xs1 h LEU 12 Ca -0.08 -0.52 0.07 0.00 0.09 0.00 0.00 57.88 57.45 1xs1 h LEU 12 Cb 1.65 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 42.19 1xs1 h LEU 12 CO 0.16 0.91 0.59 0.44 0.09 0.00 0.00 178.44 180.64 1xs1 h ASP 13 N 0.09 0.90 0.13 -0.43 3.32 -1.08 -2.45 116.42 116.89 1xs1 h ASP 13 Ca 0.02 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 1xs1 h ASP 13 Cb 0.80 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1xs1 h ASP 13 CO 0.05 0.57 -0.55 -0.08 -1.72 0.00 0.00 179.24 177.52 1xs1 h GLU 14 N 1.02 0.45 -0.66 3.56 4.81 -1.41 -3.48 114.58 118.86 1xs1 h GLU 14 Ca 0.40 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1xs1 h GLU 14 Cb 0.23 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1xs1 h GLU 14 CO -0.15 0.88 0.00 0.41 -0.73 0.00 0.00 179.01 179.42 1xs1 n GLY 15 N 0.22 0.78 0.05 1.92 0.00 -0.93 -4.99 105.19 102.25 1xs1 n GLY 15 Ca -0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 1xs1 n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xs1 n ARG 16 N -0.33 0.51 -3.64 1.61 3.00 -1.24 -4.97 116.66 111.60 1xs1 n ARG 16 Ca 0.00 0.05 -0.36 0.00 -0.01 0.00 0.00 57.85 57.52 1xs1 n ARG 16 Cb 0.24 -1.19 -0.09 0.00 0.00 0.00 0.00 32.46 31.42 1xs1 n ARG 16 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1xs1 s LEU 17 N -5.45 4.14 0.03 0.55 2.96 -1.25 -3.12 118.68 116.54 1xs1 s LEU 17 Ca -0.12 0.18 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 1xs1 s LEU 17 Cb 0.03 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 1xs1 s LEU 17 CO 0.23 0.07 -0.10 -0.94 -1.32 0.00 0.00 176.35 174.28 1xs1 s SER 18 N 0.94 1.16 -0.18 3.68 1.04 0.16 -4.34 113.70 116.16 1xs1 s SER 18 Ca 0.09 -0.40 -0.01 0.00 0.48 0.00 0.00 55.95 56.11 1xs1 s SER 18 Cb -0.13 -0.05 0.05 0.00 0.10 0.00 0.00 66.02 65.98 1xs1 s SER 18 CO 0.04 -0.04 -0.02 -0.63 0.98 0.00 0.00 173.24 173.57 1xs1 s ILE 19 N -0.85 0.95 -0.27 -1.02 1.01 -1.26 0.28 121.20 120.04 1xs1 s ILE 19 Ca -0.02 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 1xs1 s ILE 19 Cb -0.07 -1.23 0.03 0.00 0.01 0.00 0.00 42.46 41.20 1xs1 s ILE 19 CO 0.01 0.02 -0.02 0.21 0.00 0.00 0.00 174.94 175.15 1xs1 s ASN 20 N 1.69 4.59 0.73 3.58 2.47 -0.39 -0.94 114.94 126.67 1xs1 s ASN 20 Ca -0.00 -0.96 -0.11 0.00 0.42 0.00 0.00 52.86 52.21 1xs1 s ASN 20 Cb -0.16 -1.71 0.03 0.00 -1.45 0.00 0.00 41.25 37.96 1xs1 s ASN 20 CO -0.07 -0.17 1.08 -2.16 -3.72 0.00 0.00 177.10 172.05 1xs1 s PRO 21 N 1.33 2.63 -0.41 0.43 0.04 -1.26 -0.32 135.00 137.44 1xs1 s PRO 21 Ca -0.01 0.76 -0.27 0.00 0.04 0.00 0.00 61.00 61.52 1xs1 s PRO 21 Cb -0.18 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1xs1 s PRO 21 CO -0.02 -1.27 0.98 0.50 0.04 0.00 0.00 177.00 177.22 1xs1 s ARG 22 N -5.13 3.76 0.60 4.56 3.52 -0.12 -4.88 118.95 121.26 1xs1 s ARG 22 Ca 0.59 0.51 -0.19 0.00 -0.13 0.00 0.00 55.73 56.51 1xs1 s ARG 22 Cb -0.14 -3.85 -0.05 0.00 -1.56 0.00 0.00 34.95 29.36 1xs1 s ARG 22 CO 0.54 -1.09 0.99 -2.30 -0.81 0.00 0.00 175.30 172.62 1xs1 n PRO 23 N 7.08 0.93 -1.02 5.12 -0.02 -1.26 -4.95 135.00 140.86 1xs1 n PRO 23 Ca 0.08 0.36 -0.29 0.00 -2.02 0.00 0.00 63.50 61.63 1xs1 n PRO 23 Cb 0.48 -2.19 0.19 0.00 -0.02 0.00 0.00 33.50 31.97 1xs1 n PRO 23 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xs1 s PRO 24 N -2.77 0.18 0.53 0.52 0.04 -1.26 -4.83 135.00 127.42 1xs1 s PRO 24 Ca 0.76 0.63 0.22 0.00 0.04 0.00 0.00 61.00 62.64 1xs1 s PRO 24 Cb -0.42 -1.70 1.39 0.00 0.04 0.00 0.00 34.50 33.81 1xs1 s PRO 24 CO 0.47 -2.93 2.08 0.28 0.04 0.00 0.00 177.00 176.94 1xs1 h VAL 25 N -2.04 0.81 0.00 -0.36 2.07 -1.92 0.17 116.25 114.98 1xs1 h VAL 25 Ca -0.56 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1xs1 h VAL 25 Cb 1.33 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1xs1 h VAL 25 CO 0.55 0.00 -0.01 -0.33 0.02 0.00 0.00 177.57 177.80 1xs1 h GLU 26 N 0.00 0.00 -0.37 1.57 3.07 -2.02 -2.58 114.58 114.25 1xs1 h GLU 26 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1xs1 h GLU 26 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1xs1 h GLU 26 CO -0.00 0.01 0.00 0.54 -1.40 0.00 0.00 179.01 178.16 1xs1 n ARG 27 N -3.13 2.71 -4.03 2.33 5.12 0.58 -4.81 116.66 115.44 1xs1 n ARG 27 Ca -0.01 -2.07 -0.33 0.00 -1.93 0.00 0.00 57.85 53.51 1xs1 n ARG 27 Cb 0.21 -1.31 -0.15 0.00 -1.16 0.00 0.00 32.46 30.05 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 -1.00 2.42 -0.07 0.55 1.01 -0.97 -1.77 121.20 121.36 1xs1 s ILE 28 Ca 0.26 -1.44 -0.29 0.00 0.00 0.00 0.00 60.65 59.18 1xs1 s ILE 28 Cb 0.14 -2.35 0.10 0.00 0.01 0.00 0.00 42.46 40.36 1xs1 s ILE 28 CO 0.18 0.04 0.88 0.54 0.00 0.00 0.00 174.94 176.58 1xs1 s ASN 29 N 1.18 -0.44 1.11 3.58 2.20 -0.82 -4.92 114.94 116.83 1xs1 s ASN 29 Ca -0.06 0.30 0.00 0.00 -0.94 0.00 0.00 52.86 52.17 1xs1 s ASN 29 Cb -0.19 0.39 0.00 0.00 -2.00 0.00 0.00 41.25 39.46 1xs1 s ASN 29 CO -0.05 -0.52 0.00 0.61 -2.94 0.00 0.00 177.10 174.20 1xs1 n GLY 30 N 0.37 1.44 1.45 0.45 0.00 -1.26 -2.08 105.19 105.56 1xs1 n GLY 30 Ca -0.12 0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 7.47 2.41 -2.13 4.61 0.00 -1.26 -0.72 120.51 130.90 1xs1 n ALA 31 Ca 0.00 -2.24 -0.09 0.00 0.00 0.00 0.00 53.44 51.11 1xs1 n ALA 31 Cb 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 19.45 18.64 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 0.00 0.29 -0.21 0.00 -4.23 -0.88 -4.36 115.64 106.24 1xs1 s THR 32 Ca 0.32 -1.87 -0.02 0.00 -1.18 0.00 0.00 61.69 58.94 1xs1 s THR 32 Cb 0.36 -1.73 0.01 0.00 1.34 0.00 0.00 72.50 72.48 1xs1 s THR 32 CO -0.16 -0.80 -0.10 -0.69 -0.54 0.00 0.00 174.62 172.34 1xs1 s VAL 33 N -3.89 2.82 0.56 2.29 1.01 -0.04 -1.95 120.40 121.20 1xs1 s VAL 33 Ca 0.14 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 1xs1 s VAL 33 Cb 0.07 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1xs1 s VAL 33 CO -0.05 0.40 1.30 -1.81 0.00 0.00 0.00 175.10 174.94 1xs1 s ASP 34 N 1.38 5.24 0.16 3.32 1.01 -0.73 -0.92 116.67 126.12 1xs1 s ASP 34 Ca 0.04 2.61 0.10 0.00 0.71 0.00 0.00 52.55 56.01 1xs1 s ASP 34 Cb -0.14 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.12 1xs1 s ASP 34 CO -0.07 -1.58 -0.21 0.68 0.21 0.00 0.00 175.17 174.20 1xs1 s VAL 35 N -1.40 2.01 0.28 -1.27 -7.23 0.95 -4.87 120.40 108.86 1xs1 s VAL 35 Ca 0.74 -1.88 0.08 0.00 -1.81 0.00 0.00 61.98 59.11 1xs1 s VAL 35 Cb -0.37 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 1xs1 s VAL 35 CO 0.42 -0.17 0.15 -0.13 -0.31 0.00 0.00 175.10 175.05 1xs1 s ARG 36 N -2.54 2.66 0.25 4.82 0.52 -1.26 -0.73 118.95 122.67 1xs1 s ARG 36 Ca 0.16 -1.24 -0.30 0.00 -0.52 0.00 0.00 55.73 53.82 1xs1 s ARG 36 Cb -0.08 -2.40 -0.09 0.00 0.52 0.00 0.00 34.95 32.91 1xs1 s ARG 36 CO 0.07 0.32 0.96 -1.17 0.02 0.00 0.00 175.30 175.50 1xs1 s LEU 37 N -3.82 4.63 0.00 2.53 2.96 0.65 -1.43 118.68 124.20 1xs1 s LEU 37 Ca 0.34 1.99 0.00 0.00 -0.22 0.00 0.00 54.13 56.24 1xs1 s LEU 37 Cb -0.07 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1xs1 s LEU 37 CO 0.23 0.12 0.00 0.61 -1.32 0.00 0.00 176.35 175.99 1xs1 n GLY 38 N 1.44 -0.51 2.73 7.98 0.00 0.80 -0.35 105.19 117.28 1xs1 n GLY 38 Ca -0.02 -1.61 -0.04 0.00 0.00 0.00 0.00 46.02 44.36 1xs1 n GLY 38 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xs1 n ASN 39 N 0.00 0.19 -3.86 1.61 2.85 -1.26 -4.15 115.26 110.64 1xs1 n ASN 39 Ca 0.00 -2.29 -0.19 0.00 -0.11 0.00 0.00 54.58 51.99 1xs1 n ASN 39 Cb 0.00 0.05 -0.16 0.00 1.24 0.00 0.00 39.78 40.91 1xs1 n ASN 39 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1xs1 s LYS 40 N -1.99 0.68 0.07 1.20 1.02 -1.26 -3.75 119.74 115.70 1xs1 s LYS 40 Ca 0.21 -0.04 0.02 0.00 0.02 0.00 0.00 55.97 56.18 1xs1 s LYS 40 Cb 0.40 -0.76 -0.03 0.00 -0.52 0.00 0.00 37.83 36.91 1xs1 s LYS 40 CO -0.05 -0.11 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.13 1xs1 s PHE 41 N 1.03 0.79 0.01 3.18 0.40 0.50 -3.95 117.98 119.94 1xs1 s PHE 41 Ca -0.09 -0.68 0.03 0.00 -0.60 0.00 0.00 56.93 55.58 1xs1 s PHE 41 Cb -0.14 -0.46 -0.01 0.00 0.51 0.00 0.00 43.02 42.92 1xs1 s PHE 41 CO -0.01 -0.10 -0.08 1.03 0.70 0.00 0.00 175.22 176.76 1xs1 s ARG 42 N -2.59 0.63 0.52 0.44 0.52 -0.48 0.77 118.95 118.77 1xs1 s ARG 42 Ca 0.00 -0.38 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 1xs1 s ARG 42 Cb -0.03 -0.58 -0.00 0.00 0.52 0.00 0.00 34.95 34.85 1xs1 s ARG 42 CO -0.02 0.15 0.01 0.95 0.02 0.00 0.00 175.30 176.42 1xs1 s THR 43 N -0.40 0.99 0.11 0.02 -4.23 -1.26 -1.42 115.64 109.44 1xs1 s THR 43 Ca 0.01 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.61 1xs1 s THR 43 Cb -0.04 -2.04 -0.04 0.00 1.34 0.00 0.00 72.50 71.72 1xs1 s THR 43 CO -0.00 0.00 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.55 1xs1 s PHE 44 N -2.92 2.56 -0.68 3.99 0.40 -1.26 -0.29 117.98 119.77 1xs1 s PHE 44 Ca 0.02 -0.25 0.03 0.00 -0.60 0.00 0.00 56.93 56.12 1xs1 s PHE 44 Cb 0.00 -1.37 0.17 0.00 0.51 0.00 0.00 43.02 42.33 1xs1 s PHE 44 CO 0.01 0.37 0.48 1.03 0.70 0.00 0.00 175.22 177.82 1xs1 s ARG 45 N -2.06 2.50 0.33 0.44 0.52 0.32 -4.84 118.95 116.16 1xs1 s ARG 45 Ca 0.18 -3.06 0.06 0.00 -0.52 0.00 0.00 55.73 52.39 1xs1 s ARG 45 Cb -0.11 -3.53 0.58 0.00 0.52 0.00 0.00 34.95 32.42 1xs1 s ARG 45 CO 0.10 -1.22 1.81 0.78 0.02 0.00 0.00 175.30 176.79 1xs1 h GLY 46 N 5.98 0.39 2.00 -3.53 0.00 -1.91 -3.17 103.07 102.83 1xs1 h GLY 46 Ca 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1xs1 h GLY 46 CO 0.73 0.26 0.00 -2.39 0.00 0.00 0.00 176.54 175.14 1xs1 n HIS 47 N -4.19 0.23 1.14 5.60 1.44 -1.26 -2.22 115.22 115.97 1xs1 n HIS 47 Ca -0.00 0.09 0.12 0.00 -2.01 0.00 0.00 57.72 55.92 1xs1 n HIS 47 Cb 0.34 -0.65 0.31 0.00 0.12 0.00 0.00 29.99 30.11 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 -1.71 0.00 -3.70 0.61 -2.24 -1.20 -4.92 114.28 101.12 1xs1 n THR 48 Ca 0.03 -0.08 -0.14 0.00 -2.27 0.00 0.00 64.05 61.59 1xs1 n THR 48 Cb 0.16 0.37 -0.09 0.00 -2.10 0.00 0.00 70.33 68.67 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 -2.70 -1.13 0.02 6.98 0.00 -0.94 -4.94 121.76 119.04 1xs1 s ALA 49 Ca 0.19 1.06 -0.12 0.00 0.00 0.00 0.00 51.96 53.09 1xs1 s ALA 49 Cb 0.18 -0.45 -0.33 0.00 0.00 0.00 0.00 23.12 22.52 1xs1 s ALA 49 CO 0.60 -0.25 0.93 0.00 0.00 0.00 0.00 175.76 177.04 1xs1 h ALA 50 N 4.72 -0.02 -2.78 0.00 0.00 -1.92 -3.47 119.26 115.79 1xs1 h ALA 50 Ca -0.28 -0.95 0.07 0.00 0.00 0.00 0.00 54.91 53.76 1xs1 h ALA 50 Cb 1.17 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1xs1 h ALA 50 CO 0.28 0.84 0.39 -0.59 0.00 0.00 0.00 179.25 180.17 1xs1 s PHE 51 N -2.60 0.03 -0.08 0.00 -0.00 -1.26 -5.15 117.98 108.92 1xs1 s PHE 51 Ca -0.10 -0.55 0.03 0.00 -0.00 0.00 0.00 56.93 56.31 1xs1 s PHE 51 Cb 0.05 0.76 0.01 0.00 -0.00 0.00 0.00 43.02 43.84 1xs1 s PHE 51 CO 0.91 -1.24 -0.16 0.42 -0.00 0.00 0.00 175.22 175.16 1xs1 s ILE 52 N -2.63 1.43 -0.66 -4.49 1.01 -1.26 -5.03 121.20 109.57 1xs1 s ILE 52 Ca 0.16 -0.64 -0.20 0.00 0.00 0.00 0.00 60.65 59.97 1xs1 s ILE 52 Cb -0.04 -1.28 0.10 0.00 0.01 0.00 0.00 42.46 41.25 1xs1 s ILE 52 CO 0.08 0.42 0.83 -0.62 0.00 0.00 0.00 174.94 175.65 1xs1 s ASP 53 N 0.64 6.26 0.46 3.58 2.15 -1.26 -4.92 116.67 123.59 1xs1 s ASP 53 Ca -0.14 -1.44 0.31 0.00 0.43 0.00 0.00 52.55 51.71 1xs1 s ASP 53 Cb -0.16 -2.34 1.66 0.00 -0.30 0.00 0.00 42.92 41.77 1xs1 s ASP 53 CO 0.04 -1.18 1.96 -0.07 -0.17 0.00 0.00 175.17 175.75 1xs1 h LEU 54 N 10.32 0.00 -5.65 -1.34 3.38 -1.98 -2.89 115.31 117.16 1xs1 h LEU 54 Ca -0.22 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.24 1xs1 h LEU 54 Cb 1.07 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.42 1xs1 h LEU 54 CO 1.11 0.00 -1.00 -0.24 0.09 0.00 0.00 178.44 178.40 1xs1 n SER 55 N -2.63 2.19 -3.06 -0.43 2.88 -1.26 -4.86 113.62 106.45 1xs1 n SER 55 Ca -0.02 -3.23 -0.17 0.00 -1.33 0.00 0.00 58.87 54.12 1xs1 n SER 55 Cb 0.08 -0.59 -0.05 0.00 -0.75 0.00 0.00 64.21 62.90 1xs1 n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xs1 n GLY 56 N 0.06 3.43 3.68 0.46 0.00 -1.09 -5.09 105.19 106.63 1xs1 n GLY 56 Ca 0.26 -2.01 -0.56 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.61 1.21 -0.21 1.61 -0.02 -1.26 -4.80 135.00 130.91 1xs1 n PRO 57 Ca -0.02 0.44 0.01 0.00 -2.02 0.00 0.00 63.50 61.91 1xs1 n PRO 57 Cb 0.44 -2.12 0.12 0.00 -0.02 0.00 0.00 33.50 31.92 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 6.68 0.30 0.18 -0.52 3.64 -1.97 0.91 116.57 125.80 1xs1 h LYS 58 Ca -0.47 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1xs1 h LYS 58 Cb 1.32 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1xs1 h LYS 58 CO 0.92 0.20 -0.09 0.38 -2.27 0.00 0.00 179.45 178.59 1xs1 h ASP 59 N 0.31 -0.21 -0.81 4.20 3.04 -1.94 0.29 116.42 121.31 1xs1 h ASP 59 Ca 0.33 -0.16 0.10 0.00 -3.24 0.00 0.00 57.03 54.05 1xs1 h ASP 59 Cb 0.48 0.05 -0.06 0.00 -1.04 0.00 0.00 39.33 38.77 1xs1 h ASP 59 CO -0.39 0.05 0.53 -0.33 -2.04 0.00 0.00 179.24 177.05 1xs1 h GLU 60 N -0.47 0.72 -0.01 4.15 5.08 -1.83 0.16 114.58 122.39 1xs1 h GLU 60 Ca -0.03 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1xs1 h GLU 60 Cb 0.36 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.45 1xs1 h GLU 60 CO 0.04 0.48 -0.33 0.28 -1.00 0.00 0.00 179.01 178.48 1xs1 h VAL 61 N 0.74 1.51 -0.70 3.13 2.07 -0.34 0.16 116.25 122.82 1xs1 h VAL 61 Ca 0.37 -1.94 0.15 0.00 0.82 0.00 0.00 66.70 66.10 1xs1 h VAL 61 Cb 0.45 2.68 -0.11 0.00 -1.52 0.00 0.00 31.29 32.79 1xs1 h VAL 61 CO -0.14 0.54 0.11 -1.28 0.02 0.00 0.00 177.57 176.81 1xs1 h SER 62 N -0.38 -0.11 -0.17 0.57 0.87 -0.16 0.27 113.55 114.43 1xs1 h SER 62 Ca -0.04 0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 1xs1 h SER 62 Cb 1.06 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 1xs1 h SER 62 CO 0.07 -0.08 -0.00 0.00 -0.53 0.00 0.00 176.83 176.29 1xs1 h ALA 63 N 1.61 0.23 -0.71 6.23 0.00 -0.61 -1.22 119.26 124.79 1xs1 h ALA 63 Ca 0.39 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.25 1xs1 h ALA 63 Cb 0.66 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.27 1xs1 h ALA 63 CO -0.53 -0.06 0.07 0.00 0.00 0.00 0.00 179.25 178.72 1xs1 h ALA 64 N 0.77 0.80 0.52 0.00 0.00 -0.42 0.29 119.26 121.22 1xs1 h ALA 64 Ca 0.05 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1xs1 h ALA 64 Cb 0.38 0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1xs1 h ALA 64 CO 0.01 -0.39 -0.25 -0.07 0.00 0.00 0.00 179.25 178.55 1xs1 h LEU 65 N 0.16 -0.59 -1.54 0.00 3.38 -0.08 0.40 115.31 117.04 1xs1 h LEU 65 Ca 0.39 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.45 1xs1 h LEU 65 Cb 0.67 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 1xs1 h LEU 65 CO -0.57 -0.35 0.47 0.44 0.09 0.00 0.00 178.44 178.52 1xs1 h ASP 66 N -0.80 0.46 0.70 -0.43 3.32 -0.96 0.36 116.42 119.07 1xs1 h ASP 66 Ca -0.07 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1xs1 h ASP 66 Cb 0.58 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1xs1 h ASP 66 CO 0.12 0.26 -0.50 -0.09 -1.72 0.00 0.00 179.24 177.31 1xs1 h ARG 67 N 0.50 -1.10 0.00 3.56 2.43 0.18 -3.31 114.38 116.64 1xs1 h ARG 67 Ca 0.33 0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 1xs1 h ARG 67 Cb 0.62 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1xs1 h ARG 67 CO -0.11 -0.73 -0.14 -0.39 -1.51 0.00 0.00 179.97 177.08 1xs1 h VAL 68 N -1.14 0.00 -3.68 0.20 -1.51 0.07 -3.44 116.25 106.74 1xs1 h VAL 68 Ca -0.09 -0.98 -0.50 0.00 -1.23 0.00 0.00 66.70 63.90 1xs1 h VAL 68 Cb 0.94 1.91 -0.02 0.00 -2.13 0.00 0.00 31.29 31.98 1xs1 h VAL 68 CO 0.05 0.00 0.33 -0.04 -1.23 0.00 0.00 177.57 176.68 1xs1 s MET 69 N -3.23 4.79 0.72 5.19 -1.94 0.12 0.12 119.30 125.06 1xs1 s MET 69 Ca 0.06 1.43 -0.12 0.00 -1.71 0.00 0.00 55.69 55.36 1xs1 s MET 69 Cb 0.06 -3.30 0.03 0.00 2.01 0.00 0.00 34.83 33.63 1xs1 s MET 69 CO 0.68 0.47 1.08 -1.54 -0.01 0.00 0.00 175.02 175.71 1xs1 s SER 70 N -0.95 4.94 0.98 3.03 1.04 0.60 -4.81 113.70 118.54 1xs1 s SER 70 Ca 0.41 1.79 -0.11 0.00 0.48 0.00 0.00 55.95 58.53 1xs1 s SER 70 Cb -0.25 -2.52 0.19 0.00 0.10 0.00 0.00 66.02 63.54 1xs1 s SER 70 CO 0.31 -1.74 1.11 -1.81 0.98 0.00 0.00 173.24 172.09 1xs1 s ASP 71 N -3.34 2.36 0.28 7.02 1.01 -1.26 -4.72 116.67 118.02 1xs1 s ASP 71 Ca 0.61 2.02 -0.29 0.00 0.71 0.00 0.00 52.55 55.60 1xs1 s ASP 71 Cb -0.17 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.16 1xs1 s ASP 71 CO 0.52 -3.43 1.34 -0.70 0.21 0.00 0.00 175.17 173.12 1xs1 s GLU 72 N -4.59 4.34 -0.32 8.23 2.12 -1.26 -4.64 118.70 122.57 1xs1 s GLU 72 Ca 0.67 2.21 -0.14 0.00 0.36 0.00 0.00 54.97 58.06 1xs1 s GLU 72 Cb -0.23 -3.11 -0.02 0.00 0.26 0.00 0.00 34.13 31.03 1xs1 s GLU 72 CO 0.60 -0.26 0.34 0.42 -0.54 0.00 0.00 175.26 175.81 1xs1 s ILE 73 N -0.57 5.19 -0.27 -3.70 1.01 0.23 -4.89 121.20 118.21 1xs1 s ILE 73 Ca 0.53 0.14 -0.07 0.00 0.00 0.00 0.00 60.65 61.25 1xs1 s ILE 73 Cb -0.40 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 1xs1 s ILE 73 CO 0.47 -0.00 0.08 -0.69 0.00 0.00 0.00 174.94 174.80 1xs1 s VAL 74 N 1.98 4.22 0.39 2.92 1.01 -1.26 -0.37 120.40 129.29 1xs1 s VAL 74 Ca 0.11 -0.37 -0.27 0.00 0.00 0.00 0.00 61.98 61.45 1xs1 s VAL 74 Cb -0.16 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.06 1xs1 s VAL 74 CO 0.11 0.23 1.41 -0.76 0.00 0.00 0.00 175.10 176.09 1xs1 s LEU 75 N 1.58 4.26 -0.01 3.92 1.43 -1.25 -5.02 118.68 123.60 1xs1 s LEU 75 Ca 0.05 2.90 -0.01 0.00 -1.03 0.00 0.00 54.13 56.03 1xs1 s LEU 75 Cb -0.16 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.25 1xs1 s LEU 75 CO 0.03 -0.90 0.12 -1.81 0.23 0.00 0.00 176.35 174.02 1xs1 s ASP 76 N -0.39 5.95 0.00 2.29 1.01 -1.26 -4.97 116.67 119.30 1xs1 s ASP 76 Ca 0.55 0.22 0.00 0.00 0.71 0.00 0.00 52.55 54.03 1xs1 s ASP 76 Cb -0.43 -1.77 0.00 0.00 1.01 0.00 0.00 42.92 41.72 1xs1 s ASP 76 CO 0.57 0.27 0.00 -1.84 0.21 0.00 0.00 175.17 174.38 1xs1 n GLU 77 N 1.09 0.00 -1.10 8.23 0.28 -1.26 0.85 120.64 128.73 1xs1 n GLU 77 Ca -0.12 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.84 1xs1 n GLU 77 Cb 0.53 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.38 1xs1 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xs1 n GLY 78 N 0.00 0.48 3.82 -1.84 0.00 -1.26 -5.01 105.19 101.38 1xs1 n GLY 78 Ca 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.82 2.71 0.24 1.61 2.02 0.25 -5.13 118.70 118.59 1xs1 s GLU 79 Ca 0.00 -1.26 0.11 0.00 0.02 0.00 0.00 54.97 53.84 1xs1 s GLU 79 Cb 0.00 -2.45 -0.05 0.00 0.10 0.00 0.00 34.13 31.74 1xs1 s GLU 79 CO 0.00 0.21 -0.16 0.00 0.02 0.00 0.00 175.26 175.33 1xs1 s ALA 80 N -2.27 2.80 -0.27 5.21 0.00 -1.26 -4.74 121.76 121.23 1xs1 s ALA 80 Ca 0.37 -1.70 -0.10 0.00 0.00 0.00 0.00 51.96 50.53 1xs1 s ALA 80 Cb -0.06 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1xs1 s ALA 80 CO 0.25 0.35 0.16 0.12 0.00 0.00 0.00 175.76 176.65 1xs1 s PHE 81 N -2.11 3.19 -0.47 0.00 5.36 -0.61 -4.91 117.98 118.43 1xs1 s PHE 81 Ca 0.27 -0.02 -0.22 0.00 -0.96 0.00 0.00 56.93 56.00 1xs1 s PHE 81 Cb -0.07 -2.35 0.03 0.00 -0.34 0.00 0.00 43.02 40.29 1xs1 s PHE 81 CO 0.14 -0.21 0.76 0.71 -1.46 0.00 0.00 175.22 175.16 1xs1 s TYR 82 N 1.73 2.99 -0.47 10.12 1.51 -1.26 -1.02 117.35 130.94 1xs1 s TYR 82 Ca 0.07 0.01 -0.17 0.00 -1.01 0.00 0.00 57.07 55.97 1xs1 s TYR 82 Cb -0.16 -3.64 0.05 0.00 -0.11 0.00 0.00 41.96 38.10 1xs1 s TYR 82 CO 0.09 -1.02 0.49 -1.17 -1.11 0.00 0.00 175.55 172.83 1xs1 s LEU 83 N 3.21 5.12 0.31 -1.29 2.96 0.23 -4.93 118.68 124.29 1xs1 s LEU 83 Ca 0.27 -0.95 -0.08 0.00 -0.22 0.00 0.00 54.13 53.15 1xs1 s LEU 83 Cb -0.13 -2.35 -0.06 0.00 0.50 0.00 0.00 46.19 44.15 1xs1 s LEU 83 CO 0.20 -0.71 0.62 -1.00 -1.32 0.00 0.00 176.35 174.14 1xs1 s HIS 84 N 2.16 3.46 0.24 5.38 3.76 -1.26 -1.34 115.29 127.69 1xs1 s HIS 84 Ca 0.11 0.83 -0.30 0.00 -0.15 0.00 0.00 55.06 55.55 1xs1 s HIS 84 Cb -0.20 -2.25 -0.15 0.00 1.11 0.00 0.00 32.58 31.10 1xs1 s HIS 84 CO 0.11 0.12 1.05 -2.30 -0.85 0.00 0.00 174.74 172.86 1xs1 n PRO 85 N -0.82 1.23 -0.56 8.40 -0.02 -1.26 -1.98 135.00 139.99 1xs1 n PRO 85 Ca 0.00 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1xs1 n PRO 85 Cb 0.54 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 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 1.57 1.52 3.70 -1.23 0.00 -0.79 -4.99 105.19 104.97 1xs1 n GLY 86 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.13 3.28 -0.09 1.61 0.41 -0.84 -4.95 118.70 117.98 1xs1 s GLU 87 Ca 0.00 -0.35 -0.10 0.00 -0.41 0.00 0.00 54.97 54.11 1xs1 s GLU 87 Cb 0.00 -2.95 -0.05 0.00 -1.78 0.00 0.00 34.13 29.36 1xs1 s GLU 87 CO 0.00 0.62 0.24 -1.17 -0.49 0.00 0.00 175.26 174.46 1xs1 s LEU 88 N -0.64 4.39 0.03 1.80 2.96 -1.26 -3.52 118.68 122.44 1xs1 s LEU 88 Ca 0.11 0.61 0.02 0.00 -0.22 0.00 0.00 54.13 54.65 1xs1 s LEU 88 Cb -0.12 -2.27 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 1xs1 s LEU 88 CO 0.02 0.33 -0.06 0.00 -1.32 0.00 0.00 176.35 175.32 1xs1 s ALA 89 N -0.76 0.46 -0.01 5.97 0.00 -0.03 -4.66 121.76 122.74 1xs1 s ALA 89 Ca 0.17 -0.56 -0.08 0.00 0.00 0.00 0.00 51.96 51.50 1xs1 s ALA 89 Cb -0.13 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 1xs1 s ALA 89 CO 0.06 0.00 0.27 -0.51 0.00 0.00 0.00 175.76 175.58 1xs1 s LEU 90 N -1.09 4.38 0.00 0.00 1.43 -0.51 0.06 118.68 122.96 1xs1 s LEU 90 Ca -0.07 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1xs1 s LEU 90 Cb -0.07 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.57 1xs1 s LEU 90 CO 0.00 0.28 0.00 0.00 0.23 0.00 0.00 176.35 176.86 1xs1 n ALA 91 N 1.32 0.00 -3.09 4.21 0.00 0.36 -1.38 120.51 121.92 1xs1 n ALA 91 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 1xs1 n ALA 91 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.34 0.07 0.55 0.00 0.11 -1.25 0.17 120.40 117.71 1xs1 s VAL 92 Ca 0.00 -0.62 -0.18 0.00 -2.93 0.00 0.00 61.98 58.26 1xs1 s VAL 92 Cb 0.00 -0.78 -0.06 0.00 -1.53 0.00 0.00 36.38 34.02 1xs1 s VAL 92 CO 0.00 -0.34 1.05 0.42 -3.33 0.00 0.00 175.10 172.90 1xs1 s THR 93 N -1.99 3.81 0.10 5.04 -4.23 0.50 -0.14 115.64 118.73 1xs1 s THR 93 Ca -0.09 0.96 -0.18 0.00 -1.18 0.00 0.00 61.69 61.20 1xs1 s THR 93 Cb -0.03 -3.42 -0.07 0.00 1.34 0.00 0.00 72.50 70.33 1xs1 s THR 93 CO 0.00 -0.40 1.57 0.25 -0.54 0.00 0.00 174.62 175.50 1xs1 h LEU 94 N 0.90 0.44 -9.69 4.79 5.85 -1.43 -3.40 115.31 112.78 1xs1 h LEU 94 Ca -0.48 -0.26 -0.52 0.00 0.84 0.00 0.00 57.88 57.46 1xs1 h LEU 94 Cb 1.22 -0.12 0.02 0.00 0.37 0.00 0.00 40.66 42.15 1xs1 h LEU 94 CO 0.58 0.59 0.55 -1.61 -0.34 0.00 0.00 178.44 178.20 1xs1 s GLU 95 N -5.18 4.51 0.16 1.25 8.01 -1.26 -4.75 118.70 121.44 1xs1 s GLU 95 Ca -0.14 1.87 -0.22 0.00 0.01 0.00 0.00 54.97 56.50 1xs1 s GLU 95 Cb 0.08 -3.23 -0.08 0.00 -4.31 0.00 0.00 34.13 26.59 1xs1 s GLU 95 CO 0.74 -0.04 0.70 0.45 0.01 0.00 0.00 175.26 177.12 1xs1 s SER 96 N -0.04 7.18 -0.03 -0.19 0.15 0.56 -4.12 113.70 117.21 1xs1 s SER 96 Ca 0.51 1.46 0.04 0.00 0.70 0.00 0.00 55.95 58.66 1xs1 s SER 96 Cb -0.33 -2.43 -0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1xs1 s SER 96 CO 0.38 0.16 -0.15 -0.69 1.20 0.00 0.00 173.24 174.13 1xs1 s VAL 97 N -1.28 1.26 -0.12 4.45 1.01 0.79 -1.26 120.40 125.25 1xs1 s VAL 97 Ca 0.37 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1xs1 s VAL 97 Cb -0.20 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1xs1 s VAL 97 CO 0.22 0.37 -0.18 -0.89 0.00 0.00 0.00 175.10 174.62 1xs1 s THR 98 N -0.02 1.71 -0.07 3.92 2.01 0.14 -1.23 115.64 122.11 1xs1 s THR 98 Ca -0.02 -0.77 0.04 0.00 0.31 0.00 0.00 61.69 61.25 1xs1 s THR 98 Cb -0.10 -1.54 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 1xs1 s THR 98 CO 0.01 0.48 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.49 1xs1 s LEU 99 N 0.92 2.49 1.16 4.42 1.43 -0.47 -0.67 118.68 127.96 1xs1 s LEU 99 Ca -0.07 -0.34 -0.17 0.00 -1.03 0.00 0.00 54.13 52.52 1xs1 s LEU 99 Cb -0.15 -1.50 0.27 0.00 0.03 0.00 0.00 46.19 44.83 1xs1 s LEU 99 CO -0.02 0.26 1.10 -2.16 0.23 0.00 0.00 176.35 175.76 1xs1 s PRO 100 N -0.26 -0.86 0.31 1.29 0.04 -1.18 -1.06 135.00 133.28 1xs1 s PRO 100 Ca 0.00 0.12 0.25 0.00 0.04 0.00 0.00 61.00 61.41 1xs1 s PRO 100 Cb -0.13 -1.62 1.06 0.00 0.04 0.00 0.00 34.50 33.85 1xs1 s PRO 100 CO 0.03 -3.51 1.76 0.00 0.04 0.00 0.00 177.00 175.31 1xs1 h ALA 101 N -2.44 1.00 -0.40 8.56 0.00 -1.92 -2.69 119.26 121.37 1xs1 h ALA 101 Ca -0.48 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 1xs1 h ALA 101 Cb 1.31 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.00 1xs1 h ALA 101 CO 0.41 0.00 0.02 -0.40 0.00 0.00 0.00 179.25 179.28 1xs1 n ASP 102 N -2.38 3.08 -3.81 0.00 5.75 -1.26 -0.02 116.55 117.91 1xs1 n ASP 102 Ca 0.02 -3.52 -0.13 0.00 -0.01 0.00 0.00 54.79 51.14 1xs1 n ASP 102 Cb 0.23 -0.63 -0.14 0.00 -1.03 0.00 0.00 41.12 39.55 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 -3.12 1.39 0.02 -2.12 2.96 -1.19 -1.63 118.68 114.99 1xs1 s LEU 103 Ca 0.45 0.18 0.06 0.00 -0.22 0.00 0.00 54.13 54.61 1xs1 s LEU 103 Cb 0.40 0.25 -0.03 0.00 0.50 0.00 0.00 46.19 47.31 1xs1 s LEU 103 CO 0.04 -0.07 -0.17 0.54 -1.32 0.00 0.00 176.35 175.37 1xs1 s VAL 104 N 0.43 2.87 0.35 1.68 0.11 0.17 -3.19 120.40 122.81 1xs1 s VAL 104 Ca -0.03 -1.09 0.09 0.00 -2.93 0.00 0.00 61.98 58.02 1xs1 s VAL 104 Cb -0.05 -2.19 -0.06 0.00 -1.53 0.00 0.00 36.38 32.55 1xs1 s VAL 104 CO -0.02 0.38 -0.04 -0.83 -3.33 0.00 0.00 175.10 171.27 1xs1 s GLY 105 N -1.31 2.16 -0.03 6.54 0.00 0.59 -0.52 107.32 114.74 1xs1 s GLY 105 Ca 0.14 -2.04 0.01 0.00 0.00 0.00 0.00 44.72 42.82 1xs1 s GLY 105 CO 0.05 -1.98 -0.01 -0.98 0.00 0.00 0.00 173.10 170.18 1xs1 s TRP 106 N -2.57 0.39 -0.20 1.90 0.52 -0.78 -0.69 118.94 117.50 1xs1 s TRP 106 Ca 0.34 -0.04 -0.14 0.00 0.02 0.00 0.00 56.10 56.28 1xs1 s TRP 106 Cb 0.02 -0.42 -0.04 0.00 -1.15 0.00 0.00 33.47 31.87 1xs1 s TRP 106 CO 0.18 -0.12 0.31 -1.17 0.02 0.00 0.00 176.95 176.17 1xs1 s LEU 107 N 0.84 4.17 0.20 2.99 2.96 -0.05 -1.80 118.68 127.99 1xs1 s LEU 107 Ca -0.09 0.41 0.08 0.00 -0.22 0.00 0.00 54.13 54.32 1xs1 s LEU 107 Cb -0.12 -2.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1xs1 s LEU 107 CO -0.01 0.01 -0.02 -1.81 -1.32 0.00 0.00 176.35 173.19 1xs1 s ASP 108 N 0.88 4.59 0.00 3.68 1.01 0.19 -4.86 116.67 122.17 1xs1 s ASP 108 Ca 0.15 -0.51 0.00 0.00 0.71 0.00 0.00 52.55 52.91 1xs1 s ASP 108 Cb -0.14 -0.90 0.00 0.00 1.01 0.00 0.00 42.92 42.89 1xs1 s ASP 108 CO 0.06 0.07 0.00 0.61 0.21 0.00 0.00 175.17 176.12 1xs1 n GLY 109 N -0.29 0.99 2.91 0.21 0.00 -1.26 -0.65 105.19 107.09 1xs1 n GLY 109 Ca -0.09 -1.41 -0.15 0.00 0.00 0.00 0.00 46.02 44.37 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 0.49 0.28 0.30 1.61 0.52 -1.26 -3.68 118.95 117.21 1xs1 s ARG 110 Ca 0.00 -0.09 0.05 0.00 -0.52 0.00 0.00 55.73 55.17 1xs1 s ARG 110 Cb 0.00 -0.29 0.72 0.00 0.52 0.00 0.00 34.95 35.90 1xs1 s ARG 110 CO 0.00 0.04 1.77 1.03 0.02 0.00 0.00 175.30 178.17 1xs1 h SER 111 N 6.23 0.77 -0.41 0.23 0.87 -1.99 -0.88 113.55 118.37 1xs1 h SER 111 Ca -0.29 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.36 1xs1 h SER 111 Cb 1.19 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.09 1xs1 h SER 111 CO 0.50 0.27 0.22 0.28 -0.53 0.00 0.00 176.83 177.58 1xs1 h SER 112 N 0.75 0.53 0.13 6.23 0.02 -1.99 -1.41 113.55 117.82 1xs1 h SER 112 Ca 0.57 -0.04 -0.17 0.00 -0.84 0.00 0.00 61.79 61.31 1xs1 h SER 112 Cb 0.88 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 63.31 1xs1 h SER 112 CO -0.38 0.44 -0.77 -0.07 -1.14 0.00 0.00 176.83 174.91 1xs1 h LEU 113 N 0.60 0.44 -1.80 5.07 3.38 -1.67 -3.29 115.31 118.05 1xs1 h LEU 113 Ca 0.15 -0.96 -0.00 0.00 0.09 0.00 0.00 57.88 57.17 1xs1 h LEU 113 Cb 0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1xs1 h LEU 113 CO -0.02 1.37 0.10 0.00 0.09 0.00 0.00 178.44 179.98 1xs1 h ALA 114 N 0.08 1.85 0.00 1.53 0.00 -0.99 -1.69 119.26 120.03 1xs1 h ALA 114 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xs1 h ALA 114 Cb 1.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1xs1 h ALA 114 CO 0.14 0.13 0.00 0.54 0.00 0.00 0.00 179.25 180.06 1xs1 n ARG 115 N -4.50 0.84 -0.19 0.00 1.74 -0.55 -1.22 116.66 112.78 1xs1 n ARG 115 Ca -0.00 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.15 1xs1 n ARG 115 Cb 0.09 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.18 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 -1.03 2.84 0.00 0.55 4.77 -0.71 -5.00 117.00 118.41 1xs1 n LEU 116 Ca 0.20 -2.69 0.00 0.00 -0.03 0.00 0.00 56.01 53.49 1xs1 n LEU 116 Cb 0.11 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1xs1 n LEU 116 CO 0.16 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1xs1 n GLY 117 N -0.68 0.59 3.60 -0.72 0.00 -0.36 -4.21 105.19 103.41 1xs1 n GLY 117 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 3.90 0.19 0.99 2.96 -0.76 -1.45 118.68 124.51 1xs1 s LEU 118 Ca 0.00 0.47 -0.27 0.00 -0.22 0.00 0.00 54.13 54.11 1xs1 s LEU 118 Cb 0.00 -3.34 -0.08 0.00 0.50 0.00 0.00 46.19 43.26 1xs1 s LEU 118 CO 0.00 -1.01 0.83 -0.04 -1.32 0.00 0.00 176.35 174.81 1xs1 s MET 119 N 3.81 4.66 -0.01 1.98 -1.94 -0.59 -4.15 119.30 123.07 1xs1 s MET 119 Ca 0.41 1.27 0.13 0.00 -1.71 0.00 0.00 55.69 55.79 1xs1 s MET 119 Cb -0.10 -3.27 -0.17 0.00 2.01 0.00 0.00 34.83 33.30 1xs1 s MET 119 CO 0.24 0.55 0.46 1.33 -0.01 0.00 0.00 175.02 177.59 1xs1 n VAL 120 N 1.58 0.00 -3.96 -6.03 0.24 -1.25 -2.34 118.33 106.57 1xs1 n VAL 120 Ca -0.04 -0.23 -0.09 0.00 -2.04 0.00 0.00 64.34 61.93 1xs1 n VAL 120 Cb 0.48 0.70 -0.09 0.00 -1.47 0.00 0.00 33.84 33.45 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 -2.51 0.26 -0.72 6.34 -3.43 -1.04 -1.11 115.29 113.08 1xs1 s HIS 121 Ca 0.01 -0.62 -0.03 0.00 -0.80 0.00 0.00 55.06 53.62 1xs1 s HIS 121 Cb 0.09 -0.19 0.18 0.00 -1.43 0.00 0.00 32.58 31.24 1xs1 s HIS 121 CO 0.55 -0.37 0.57 0.08 -2.00 0.00 0.00 174.74 173.57 1xs1 s VAL 122 N -2.86 4.05 -0.98 -5.38 1.01 -1.26 -4.74 120.40 110.25 1xs1 s VAL 122 Ca -0.03 -3.21 -0.01 0.00 0.00 0.00 0.00 61.98 58.74 1xs1 s VAL 122 Cb 0.00 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.80 1xs1 s VAL 122 CO -0.06 -0.95 0.01 0.35 0.00 0.00 0.00 175.10 174.45 1xs1 n THR 123 N 3.16 -0.60 -3.36 3.92 -2.24 -1.26 -4.92 114.28 108.98 1xs1 n THR 123 Ca 0.13 -0.30 -0.15 0.00 -2.27 0.00 0.00 64.05 61.45 1xs1 n THR 123 Cb 0.38 -0.61 -0.08 0.00 -2.10 0.00 0.00 70.33 67.92 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 -3.82 -0.65 -0.05 6.98 0.00 -1.26 -5.01 121.76 117.95 1xs1 s ALA 124 Ca 0.02 -0.54 0.11 0.00 0.00 0.00 0.00 51.96 51.55 1xs1 s ALA 124 Cb -0.01 -2.01 0.21 0.00 0.00 0.00 0.00 23.12 21.30 1xs1 s ALA 124 CO 0.63 -1.95 1.09 -2.39 0.00 0.00 0.00 175.76 173.14 1xs1 n HIS 125 N 4.75 0.00 -3.34 0.00 -0.00 -1.26 -4.90 115.22 110.46 1xs1 n HIS 125 Ca 0.06 -0.48 -0.38 0.00 -0.00 0.00 0.00 57.72 56.91 1xs1 n HIS 125 Cb 0.47 -0.12 -0.06 0.00 -0.00 0.00 0.00 29.99 30.28 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 -0.92 4.29 -0.33 -1.40 3.52 -1.26 -0.87 118.95 121.97 1xs1 s ARG 126 Ca 0.19 0.36 -0.08 0.00 -0.13 0.00 0.00 55.73 56.07 1xs1 s ARG 126 Cb 0.19 -3.47 0.02 0.00 -1.56 0.00 0.00 34.95 30.13 1xs1 s ARG 126 CO -0.04 0.10 0.12 0.42 -0.81 0.00 0.00 175.30 175.09 1xs1 s ILE 127 N 0.83 4.12 0.49 4.11 -1.09 0.13 -4.99 121.20 124.80 1xs1 s ILE 127 Ca 0.23 -0.82 -0.18 0.00 -2.23 0.00 0.00 60.65 57.65 1xs1 s ILE 127 Cb -0.15 -3.22 -0.09 0.00 -1.58 0.00 0.00 42.46 37.42 1xs1 s ILE 127 CO 0.09 -0.07 0.98 -1.81 -1.23 0.00 0.00 174.94 172.90 1xs1 s ASP 128 N 1.50 6.70 0.16 3.58 1.01 -1.26 -0.30 116.67 128.05 1xs1 s ASP 128 Ca 0.01 1.63 -0.34 0.00 0.71 0.00 0.00 52.55 54.57 1xs1 s ASP 128 Cb -0.18 -2.52 -0.14 0.00 1.01 0.00 0.00 42.92 41.08 1xs1 s ASP 128 CO 0.04 -0.53 1.53 -0.81 0.21 0.00 0.00 175.17 175.60 1xs1 n PRO 129 N -1.24 1.99 -0.04 8.23 -0.04 -1.19 -0.85 135.00 141.86 1xs1 n PRO 129 Ca 0.07 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 1xs1 n PRO 129 Cb 0.54 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 3.16 0.64 3.77 0.55 0.00 -0.22 0.15 105.19 113.25 1xs1 n GLY 130 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.26 2.86 -0.19 1.61 -0.11 -0.03 -2.65 118.94 118.17 1xs1 s TRP 131 Ca 0.00 1.43 -0.04 0.00 1.22 0.00 0.00 56.10 58.71 1xs1 s TRP 131 Cb 0.00 -3.63 0.09 0.00 -1.50 0.00 0.00 33.47 28.44 1xs1 s TRP 131 CO 0.00 -1.97 0.25 0.45 -4.62 0.00 0.00 176.95 171.07 1xs1 s SER 132 N -0.80 0.99 0.00 5.86 0.15 -1.26 -1.36 113.70 117.29 1xs1 s SER 132 Ca 0.57 0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.23 1xs1 s SER 132 Cb -0.37 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1xs1 s SER 132 CO 0.47 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.22 1xs1 n GLY 133 N 5.33 0.76 3.79 9.45 0.00 -0.37 -1.82 105.19 122.34 1xs1 n GLY 133 Ca -0.05 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.90 5.28 0.25 0.00 1.01 -1.26 -4.69 121.20 119.89 1xs1 s ILE 135 Ca 0.68 0.54 -0.26 0.00 0.00 0.00 0.00 60.65 61.62 1xs1 s ILE 135 Cb -0.19 -3.64 -0.09 0.00 0.01 0.00 0.00 42.46 38.55 1xs1 s ILE 135 CO 0.22 0.34 0.87 -0.69 0.00 0.00 0.00 174.94 175.68 1xs1 s VAL 136 N 0.85 4.27 0.03 2.92 1.01 -1.26 -0.37 120.40 127.84 1xs1 s VAL 136 Ca 0.16 1.77 0.09 0.00 0.00 0.00 0.00 61.98 64.00 1xs1 s VAL 136 Cb -0.14 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1xs1 s VAL 136 CO 0.05 0.33 -0.25 -0.76 0.00 0.00 0.00 175.10 174.47 1xs1 s LEU 137 N -1.62 2.19 -0.35 3.92 1.43 0.13 -4.93 118.68 119.45 1xs1 s LEU 137 Ca 0.43 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1xs1 s LEU 137 Cb -0.21 -1.33 0.09 0.00 0.03 0.00 0.00 46.19 44.77 1xs1 s LEU 137 CO 0.26 0.28 0.08 -1.61 0.23 0.00 0.00 176.35 175.58 1xs1 s GLU 138 N -1.09 1.89 -0.02 1.70 8.01 -0.27 -0.49 118.70 128.43 1xs1 s GLU 138 Ca 0.12 -1.70 -0.23 0.00 0.01 0.00 0.00 54.97 53.16 1xs1 s GLU 138 Cb -0.10 -3.30 -0.04 0.00 -4.31 0.00 0.00 34.13 26.38 1xs1 s GLU 138 CO 0.02 -0.89 0.69 -0.06 0.01 0.00 0.00 175.26 175.02 1xs1 s PHE 139 N 1.06 3.64 -0.04 1.61 2.99 0.11 -2.49 117.98 124.85 1xs1 s PHE 139 Ca 0.05 1.29 -0.02 0.00 0.00 0.00 0.00 56.93 58.25 1xs1 s PHE 139 Cb -0.21 -2.76 0.03 0.00 0.00 0.00 0.00 43.02 40.08 1xs1 s PHE 139 CO -0.05 0.19 0.05 -0.47 -0.00 0.00 0.00 175.22 174.94 1xs1 s TYR 140 N 0.36 0.13 -0.59 0.36 5.04 -0.99 -0.85 117.35 120.82 1xs1 s TYR 140 Ca 0.36 0.21 -0.21 0.00 -2.44 0.00 0.00 57.07 54.98 1xs1 s TYR 140 Cb -0.18 -0.51 0.07 0.00 0.35 0.00 0.00 41.96 41.68 1xs1 s TYR 140 CO 0.19 -0.20 0.83 1.21 -1.34 0.00 0.00 175.55 176.23 1xs1 s ASN 141 N 2.12 6.22 0.00 4.32 3.84 -1.23 -1.54 114.94 128.67 1xs1 s ASN 141 Ca 0.05 -0.95 0.16 0.00 0.21 0.00 0.00 52.86 52.33 1xs1 s ASN 141 Cb -0.12 -2.37 0.51 0.00 -0.55 0.00 0.00 41.25 38.73 1xs1 s ASN 141 CO -0.03 -1.21 1.40 -1.54 -2.79 0.00 0.00 177.10 172.93 1xs1 n SER 142 N 7.02 1.98 -0.70 -4.21 3.41 -0.53 -1.89 113.62 118.70 1xs1 n SER 142 Ca -0.05 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 1xs1 n SER 142 Cb 0.45 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 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 1.14 1.96 0.00 5.00 0.00 -1.26 -4.88 105.19 107.16 1xs1 n GLY 143 Ca 0.15 -2.07 0.09 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.35 0.91 -4.37 1.61 4.76 -1.26 -4.72 118.16 114.74 1xs1 n LYS 144 Ca 0.00 -0.05 -0.19 0.00 -2.87 0.00 0.00 58.31 55.20 1xs1 n LYS 144 Cb 0.00 -1.38 -0.14 0.00 -1.84 0.00 0.00 35.03 31.67 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 -3.31 2.06 0.41 -0.35 1.02 -1.26 -4.94 118.68 112.31 1xs1 s LEU 145 Ca 0.02 -0.25 -0.24 0.00 0.02 0.00 0.00 54.13 53.69 1xs1 s LEU 145 Cb 0.13 -0.49 -0.12 0.00 0.02 0.00 0.00 46.19 45.73 1xs1 s LEU 145 CO 0.75 0.08 0.83 -2.65 0.02 0.00 0.00 176.35 175.38 1xs1 n PRO 146 N 2.59 1.01 -4.67 1.29 -0.02 -1.26 -4.69 135.00 129.25 1xs1 n PRO 146 Ca -0.15 0.36 -0.31 0.00 -2.02 0.00 0.00 63.50 61.39 1xs1 n PRO 146 Cb 0.56 -1.80 -0.17 0.00 -0.02 0.00 0.00 33.50 32.07 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 0.43 1.94 -0.26 2.45 1.43 -0.45 -4.96 118.68 119.25 1xs1 s LEU 147 Ca 0.63 -0.52 -0.18 0.00 -1.03 0.00 0.00 54.13 53.04 1xs1 s LEU 147 Cb -0.59 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 1xs1 s LEU 147 CO 0.57 0.07 0.50 0.00 0.23 0.00 0.00 176.35 177.72 1xs1 s ALA 148 N 0.80 3.59 -0.23 4.21 0.00 -1.26 -0.60 121.76 128.27 1xs1 s ALA 148 Ca -0.09 -0.63 -0.06 0.00 0.00 0.00 0.00 51.96 51.19 1xs1 s ALA 148 Cb -0.16 -2.87 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 1xs1 s ALA 148 CO 0.00 -0.74 0.02 -0.51 0.00 0.00 0.00 175.76 174.53 1xs1 s LEU 149 N 2.29 3.23 -0.07 0.00 1.43 -0.19 -4.91 118.68 120.46 1xs1 s LEU 149 Ca 0.21 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 1xs1 s LEU 149 Cb -0.16 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 1xs1 s LEU 149 CO 0.09 -0.01 -0.17 -0.13 0.23 0.00 0.00 176.35 176.36 1xs1 s ARG 150 N 1.43 2.66 0.30 1.70 0.52 -1.26 -1.57 118.95 122.74 1xs1 s ARG 150 Ca 0.05 -0.76 -0.27 0.00 -0.52 0.00 0.00 55.73 54.23 1xs1 s ARG 150 Cb -0.15 -2.36 -0.14 0.00 0.52 0.00 0.00 34.95 32.83 1xs1 s ARG 150 CO 0.01 0.48 0.92 -2.30 0.02 0.00 0.00 175.30 174.43 1xs1 n PRO 151 N 2.70 1.15 0.00 3.54 -0.02 -1.26 -2.08 135.00 139.04 1xs1 n PRO 151 Ca -0.17 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1xs1 n PRO 151 Cb 0.52 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 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 1.34 2.33 3.79 -1.23 0.00 0.52 -4.94 105.19 107.00 1xs1 n GLY 152 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.56 3.26 -0.37 1.61 0.23 -0.88 -4.54 119.30 118.05 1xs1 s MET 153 Ca 0.00 1.39 -0.28 0.00 -1.03 0.00 0.00 55.69 55.77 1xs1 s MET 153 Cb 0.00 -2.01 -0.02 0.00 -1.53 0.00 0.00 34.83 31.27 1xs1 s MET 153 CO 0.00 -0.88 1.83 -0.51 -2.03 0.00 0.00 175.02 173.43 1xs1 s LEU 154 N -4.26 3.48 -0.01 0.18 1.43 -1.26 -0.26 118.68 117.98 1xs1 s LEU 154 Ca 0.67 1.19 0.11 0.00 -1.03 0.00 0.00 54.13 55.08 1xs1 s LEU 154 Cb -0.19 -3.36 -0.15 0.00 0.03 0.00 0.00 46.19 42.52 1xs1 s LEU 154 CO 0.33 -1.83 0.35 0.00 0.23 0.00 0.00 176.35 175.43 1xs1 n ILE 155 N 7.41 0.00 -3.19 -0.59 0.13 0.10 -4.92 119.36 118.30 1xs1 n ILE 155 Ca 0.23 -0.25 0.00 0.00 -1.10 0.00 0.00 62.75 61.63 1xs1 n ILE 155 Cb 0.48 0.59 0.00 0.00 -0.84 0.00 0.00 39.64 39.87 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 1.58 -1.21 2.98 4.50 0.00 -1.11 -4.43 105.19 107.51 1xs1 n GLY 156 Ca -0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.00 -0.02 -0.07 4.61 0.00 0.17 -0.04 121.76 125.42 1xs1 s ALA 157 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1xs1 s ALA 157 Cb 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1xs1 s ALA 157 CO 0.00 -0.13 -0.11 -0.51 0.00 0.00 0.00 175.76 175.01 1xs1 s LEU 158 N -1.03 2.91 0.27 0.00 1.43 -0.10 0.58 118.68 122.73 1xs1 s LEU 158 Ca -0.11 -0.14 0.10 0.00 -1.03 0.00 0.00 54.13 52.95 1xs1 s LEU 158 Cb -0.07 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1xs1 s LEU 158 CO -0.00 0.33 -0.15 -0.94 0.23 0.00 0.00 176.35 175.82 1xs1 s SER 159 N -0.65 3.21 -0.01 2.29 1.04 -0.74 -0.86 113.70 117.97 1xs1 s SER 159 Ca 0.10 -1.07 0.02 0.00 0.48 0.00 0.00 55.95 55.48 1xs1 s SER 159 Cb -0.11 -0.24 -0.00 0.00 0.10 0.00 0.00 66.02 65.76 1xs1 s SER 159 CO 0.01 -0.10 -0.08 -0.36 0.98 0.00 0.00 173.24 173.69 1xs1 s PHE 160 N -2.72 0.81 -0.15 5.02 0.40 -1.26 -1.87 117.98 118.21 1xs1 s PHE 160 Ca 0.28 -0.17 -0.01 0.00 -0.60 0.00 0.00 56.93 56.43 1xs1 s PHE 160 Cb -0.02 -0.55 0.04 0.00 0.51 0.00 0.00 43.02 43.00 1xs1 s PHE 160 CO 0.12 -0.05 -0.03 -2.00 0.70 0.00 0.00 175.22 173.96 1xs1 s GLU 161 N -0.02 1.20 0.46 0.44 2.12 0.32 -0.64 118.70 122.58 1xs1 s GLU 161 Ca 0.01 -0.38 -0.25 0.00 0.36 0.00 0.00 54.97 54.71 1xs1 s GLU 161 Cb -0.05 -1.82 -0.08 0.00 0.26 0.00 0.00 34.13 32.44 1xs1 s GLU 161 CO -0.00 -0.43 1.43 -2.30 -0.54 0.00 0.00 175.26 173.42 1xs1 n PRO 162 N 4.95 2.20 -2.79 4.30 -0.02 -1.25 -0.66 135.00 141.73 1xs1 n PRO 162 Ca -0.11 0.79 -0.24 0.00 -2.02 0.00 0.00 63.50 61.92 1xs1 n PRO 162 Cb 0.48 -2.63 0.02 0.00 -0.02 0.00 0.00 33.50 31.35 1xs1 n PRO 162 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xs1 s LEU 163 N -2.77 3.53 0.37 2.45 1.43 -0.65 -4.83 118.68 118.21 1xs1 s LEU 163 Ca 0.62 0.46 0.08 0.00 -1.03 0.00 0.00 54.13 54.26 1xs1 s LEU 163 Cb -0.44 -3.33 0.79 0.00 0.03 0.00 0.00 46.19 43.24 1xs1 s LEU 163 CO 0.57 -0.79 1.94 0.77 0.23 0.00 0.00 176.35 179.06 1xs1 h SER 164 N 0.22 0.63 -5.46 2.29 4.64 -1.95 -3.44 113.55 110.48 1xs1 h SER 164 Ca -0.46 0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 60.67 1xs1 h SER 164 Cb 1.25 -0.12 -0.10 0.00 -0.31 0.00 0.00 62.40 63.12 1xs1 h SER 164 CO 0.59 0.38 -0.27 -0.83 -0.87 0.00 0.00 176.83 175.82 1xs1 s GLY 165 N -3.62 1.20 0.13 -0.77 0.00 -1.26 -5.13 107.32 97.87 1xs1 s GLY 165 Ca -0.10 -1.37 -0.31 0.00 0.00 0.00 0.00 44.72 42.94 1xs1 s GLY 165 CO 0.77 -0.98 1.61 -4.14 0.00 0.00 0.00 173.10 170.36 1xs1 s PRO 166 N -3.63 4.21 0.27 2.90 0.02 -1.26 -4.65 135.00 132.85 1xs1 s PRO 166 Ca 0.30 2.36 -0.29 0.00 0.02 0.00 0.00 61.00 63.39 1xs1 s PRO 166 Cb 0.01 -3.32 -0.14 0.00 0.02 0.00 0.00 34.50 31.07 1xs1 s PRO 166 CO 0.15 -0.66 1.06 0.00 -0.33 0.00 0.00 177.00 177.22 1xs1 n ALA 167 N 4.59 -0.18 0.10 -1.55 0.00 0.97 -4.91 120.51 119.53 1xs1 n ALA 167 Ca 0.15 0.40 -0.14 0.00 0.00 0.00 0.00 53.44 53.85 1xs1 n ALA 167 Cb 0.39 -2.04 -0.13 0.00 0.00 0.00 0.00 19.45 17.67 1xs1 n ALA 167 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xs1 h VAL 168 N 2.13 1.54 -2.12 0.00 2.07 -1.92 -3.40 116.25 114.56 1xs1 h VAL 168 Ca -0.40 -3.10 -0.58 0.00 0.82 0.00 0.00 66.70 63.43 1xs1 h VAL 168 Cb 1.34 2.90 -0.41 0.00 -1.52 0.00 0.00 31.29 33.60 1xs1 h VAL 168 CO 0.62 0.90 -0.82 0.54 0.02 0.00 0.00 177.57 178.84 1xs1 n ARG 169 N -3.51 1.84 -1.78 1.57 1.74 -1.26 -5.10 116.66 110.16 1xs1 n ARG 169 Ca -0.07 -4.09 -0.31 0.00 -0.77 0.00 0.00 57.85 52.61 1xs1 n ARG 169 Cb 1.00 -1.84 0.03 0.00 -1.02 0.00 0.00 32.46 30.62 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 -2.08 3.24 0.26 5.56 0.04 -1.26 -4.82 135.00 135.94 1xs1 s PRO 170 Ca 0.39 0.94 -0.04 0.00 0.04 0.00 0.00 61.00 62.32 1xs1 s PRO 170 Cb 0.18 -2.03 0.34 0.00 0.04 0.00 0.00 34.50 33.03 1xs1 s PRO 170 CO -0.06 -0.86 1.89 -0.92 0.04 0.00 0.00 177.00 177.10 1xs1 h TYR 171 N -0.32 1.18 0.00 0.56 3.20 -0.50 -2.34 116.97 118.75 1xs1 h TYR 171 Ca -0.44 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.42 1xs1 h TYR 171 Cb 1.20 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 39.08 1xs1 h TYR 171 CO 0.63 0.66 -0.15 -2.95 -1.64 0.00 0.00 178.16 174.71 1xs1 h ASN 172 N 1.20 0.00 0.20 -2.11 -1.07 -1.72 -2.26 115.58 109.82 1xs1 h ASN 172 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.77 1xs1 h ASN 172 Cb 0.06 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.31 1xs1 h ASN 172 CO -0.14 0.15 -0.73 0.54 0.07 0.00 0.00 177.43 177.32 1xs1 n ARG 173 N -3.55 0.14 -2.19 4.14 1.74 -0.89 -4.96 116.66 111.09 1xs1 n ARG 173 Ca -0.01 -0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.54 1xs1 n ARG 173 Cb 0.29 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.21 1xs1 n ARG 173 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xs1 s ARG 174 N -2.93 4.23 0.26 5.56 3.52 -0.85 -4.89 118.95 123.84 1xs1 s ARG 174 Ca 0.11 1.97 -0.03 0.00 -0.13 0.00 0.00 55.73 57.65 1xs1 s ARG 174 Cb 0.17 -3.80 0.43 0.00 -1.56 0.00 0.00 34.95 30.19 1xs1 s ARG 174 CO 0.76 -0.73 1.83 1.05 -0.81 0.00 0.00 175.30 177.41 1xs1 h GLU 175 N 8.64 0.89 -0.43 5.12 4.11 -1.92 -2.63 114.58 128.36 1xs1 h GLU 175 Ca -0.35 -0.05 -0.06 0.00 0.07 0.00 0.00 59.36 58.97 1xs1 h GLU 175 Cb 1.16 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 1xs1 h GLU 175 CO 0.94 0.59 0.05 -0.40 0.07 0.00 0.00 179.01 180.26 1xs1 n ASP 176 N -4.66 4.34 -4.77 3.06 5.75 -1.26 -4.95 116.55 114.06 1xs1 n ASP 176 Ca 0.15 -3.12 -0.40 0.00 -0.01 0.00 0.00 54.79 51.41 1xs1 n ASP 176 Cb 0.27 -0.62 -0.02 0.00 -1.03 0.00 0.00 41.12 39.72 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 -2.89 3.37 -0.07 2.12 0.00 -0.99 -4.97 121.76 118.33 1xs1 s ALA 177 Ca 0.48 1.17 0.21 0.00 0.00 0.00 0.00 51.96 53.82 1xs1 s ALA 177 Cb 0.38 -3.45 -0.31 0.00 0.00 0.00 0.00 23.12 19.74 1xs1 s ALA 177 CO 0.10 -0.62 0.43 1.63 0.00 0.00 0.00 175.76 177.30 1xs1 n LYS 178 N 0.54 0.66 -0.44 0.00 5.02 -1.26 -4.64 118.16 118.05 1xs1 n LYS 178 Ca 0.02 -0.15 0.06 0.00 -2.02 0.00 0.00 58.31 56.22 1xs1 n LYS 178 Cb 0.43 -1.54 0.19 0.00 -0.02 0.00 0.00 35.03 34.10 1xs1 n LYS 178 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1xs1 n TYR 179 N -2.37 0.23 -1.76 2.13 4.02 -1.26 -5.04 117.16 113.11 1xs1 n TYR 179 Ca -0.09 -1.30 -0.41 0.00 -0.01 0.00 0.00 57.90 56.09 1xs1 n TYR 179 Cb 0.68 -0.26 -0.01 0.00 -0.02 0.00 0.00 39.34 39.73 1xs1 n TYR 179 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1xs1 n ARG 180 N -1.18 2.70 -4.10 -0.72 1.74 -1.26 -2.76 116.66 111.08 1xs1 n ARG 180 Ca 0.20 0.96 -0.33 0.00 -0.77 0.00 0.00 57.85 57.91 1xs1 n ARG 180 Cb 0.74 -2.72 -0.01 0.00 -1.02 0.00 0.00 32.46 29.44 1xs1 n ARG 180 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1xs1 n ASN 181 N 1.48 -2.92 -4.74 0.55 5.03 -0.75 -4.94 115.26 108.97 1xs1 n ASN 181 Ca 0.06 -0.96 -0.42 0.00 0.87 0.00 0.00 54.58 54.13 1xs1 n ASN 181 Cb 0.38 -3.05 -0.02 0.00 -1.02 0.00 0.00 39.78 36.06 1xs1 n ASN 181 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 1xs1 s GLN 182 N -6.78 4.19 0.00 3.52 0.74 -1.11 -4.89 119.66 115.32 1xs1 s GLN 182 Ca 0.56 2.45 0.00 0.00 0.05 0.00 0.00 55.36 58.41 1xs1 s GLN 182 Cb -0.30 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.72 1xs1 s GLN 182 CO 0.90 -0.58 0.06 0.94 -0.55 0.00 0.00 175.29 176.06 1xs1 n GLN 183 N 2.95 1.93 -4.54 1.67 -0.06 -1.26 -1.51 117.38 116.56 1xs1 n GLN 183 Ca 0.10 -0.06 -0.32 0.00 -2.00 0.00 0.00 57.00 54.73 1xs1 n GLN 183 Cb 0.38 -0.36 -0.06 0.00 -4.06 0.00 0.00 30.24 26.15 1xs1 n GLN 183 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1xs1 s GLY 184 N -0.29 2.88 -0.98 1.69 0.00 -1.26 -4.86 107.32 104.51 1xs1 s GLY 184 Ca 0.00 -0.51 -0.23 0.00 0.00 0.00 0.00 44.72 43.98 1xs1 s GLY 184 CO 0.00 -2.14 1.92 0.00 0.00 0.00 0.00 173.10 172.88 1xs1 n ALA 185 N -1.41 2.29 -2.17 3.20 0.00 -1.26 -4.86 120.51 116.31 1xs1 n ALA 185 Ca -0.15 -3.10 -0.42 0.00 0.00 0.00 0.00 53.44 49.77 1xs1 n ALA 185 Cb 0.66 -3.55 -0.03 0.00 0.00 0.00 0.00 19.45 16.54 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 8.77 3.33 1.02 0.00 1.01 -1.26 -4.76 120.40 128.51 1xs1 s VAL 186 Ca 0.65 0.94 -0.12 0.00 0.00 0.00 0.00 61.98 63.45 1xs1 s VAL 186 Cb 0.06 -3.60 0.20 0.00 0.00 0.00 0.00 36.38 33.04 1xs1 s VAL 186 CO 0.14 0.06 1.08 0.00 0.00 0.00 0.00 175.10 176.38 1xs1 s ALA 187 N 1.26 0.63 0.47 5.51 0.00 -1.26 -4.95 121.76 123.42 1xs1 s ALA 187 Ca 0.65 0.02 -0.24 0.00 0.00 0.00 0.00 51.96 52.38 1xs1 s ALA 187 Cb -0.36 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.42 1xs1 s ALA 187 CO 0.30 -3.11 1.39 0.45 0.00 0.00 0.00 175.76 174.79 1xs1 s SER 188 N -2.89 5.78 -0.28 0.00 0.15 -1.26 -4.93 113.70 110.26 1xs1 s SER 188 Ca 0.66 2.84 0.08 0.00 0.70 0.00 0.00 55.95 60.23 1xs1 s SER 188 Cb -0.22 -2.65 0.45 0.00 -1.71 0.00 0.00 66.02 61.90 1xs1 s SER 188 CO 0.60 -1.23 1.27 0.54 1.20 0.00 0.00 173.24 175.63 1xs1 n ARG 189 N -0.37 2.72 0.13 5.44 1.74 -1.26 -4.79 116.66 120.26 1xs1 n ARG 189 Ca 0.06 -3.74 0.18 0.00 -0.77 0.00 0.00 57.85 53.58 1xs1 n ARG 189 Cb 0.43 -2.02 0.76 0.00 -1.02 0.00 0.00 32.46 30.62 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 1.61 0.54 0.00 0.55 6.09 -1.96 0.22 117.51 124.56 1xs1 h ILE 190 Ca 0.25 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.74 1xs1 h ILE 190 Cb 1.34 0.77 0.00 0.00 0.47 0.00 0.00 36.82 39.41 1xs1 h ILE 190 CO 0.52 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 174.70 1xs1 n ASP 191 N -3.97 0.21 -0.11 2.19 5.75 -1.26 -1.33 116.55 118.04 1xs1 n ASP 191 Ca 0.05 0.58 0.14 0.00 -0.01 0.00 0.00 54.79 55.55 1xs1 n ASP 191 Cb 0.46 -0.62 0.64 0.00 -1.03 0.00 0.00 41.12 40.57 1xs1 n ASP 191 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1xs1 n LYS 192 N -1.77 0.70 0.00 0.11 4.76 0.77 -4.84 118.16 117.89 1xs1 n LYS 192 Ca 0.01 -0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 1xs1 n LYS 192 Cb 0.07 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 1xs1 n LYS 192 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78