#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x89 s SER 5 N 0.00 0.67 -0.19 3.42 0.01 -1.26 -5.14 113.70 111.22 1x89 s SER 5 Ca 0.00 0.08 -0.02 0.00 1.31 0.00 0.00 55.95 57.32 1x89 s SER 5 Cb 0.00 -0.09 -0.00 0.00 0.21 0.00 0.00 66.02 66.13 1x89 s SER 5 CO 0.00 -0.20 -0.09 -1.81 0.41 0.00 0.00 173.24 171.55 1x89 s ASP 6 N 1.72 4.00 0.02 2.44 -0.00 -1.26 -5.11 116.67 118.48 1x89 s ASP 6 Ca -0.01 -0.43 0.07 0.00 -0.00 0.00 0.00 52.55 52.18 1x89 s ASP 6 Cb -0.12 -1.66 -0.02 0.00 -0.00 0.00 0.00 42.92 41.12 1x89 s ASP 6 CO -0.03 0.03 -0.21 -0.76 -0.00 0.00 0.00 175.17 174.20 1x89 s LEU 7 N 1.17 2.13 0.17 1.23 1.43 -1.26 -5.10 118.68 118.43 1x89 s LEU 7 Ca 0.02 -0.47 -0.32 0.00 -1.03 0.00 0.00 54.13 52.33 1x89 s LEU 7 Cb -0.14 -1.00 -0.10 0.00 0.03 0.00 0.00 46.19 44.97 1x89 s LEU 7 CO -0.03 0.19 1.61 -0.63 0.23 0.00 0.00 176.35 177.72 1x89 s ILE 8 N -0.69 2.52 0.55 -0.59 1.01 -1.26 -4.92 121.20 117.81 1x89 s ILE 8 Ca 0.08 0.35 -0.20 0.00 0.00 0.00 0.00 60.65 60.88 1x89 s ILE 8 Cb -0.08 -3.22 -0.07 0.00 0.01 0.00 0.00 42.46 39.09 1x89 s ILE 8 CO 0.01 0.03 0.86 -2.65 0.00 0.00 0.00 174.94 173.18 1x89 n PRO 9 N 4.09 0.90 -2.50 2.79 -0.02 -1.26 -4.83 135.00 134.17 1x89 n PRO 9 Ca 0.14 0.34 -0.37 0.00 -2.02 0.00 0.00 63.50 61.60 1x89 n PRO 9 Cb 0.38 -2.02 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 1x89 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x89 s ALA 10 N -1.51 3.11 0.52 3.55 0.00 -1.26 -4.94 121.76 121.22 1x89 s ALA 10 Ca 0.71 0.75 -0.07 0.00 0.00 0.00 0.00 51.96 53.36 1x89 s ALA 10 Cb -0.46 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 1x89 s ALA 10 CO 0.51 -0.27 0.85 -1.25 0.00 0.00 0.00 175.76 175.60 1x89 s PRO 11 N -2.41 3.54 0.53 0.00 0.04 -1.26 -5.00 135.00 130.43 1x89 s PRO 11 Ca 0.57 0.32 -0.23 0.00 0.04 0.00 0.00 61.00 61.71 1x89 s PRO 11 Cb -0.24 -2.30 -0.06 0.00 0.04 0.00 0.00 34.50 31.94 1x89 s PRO 11 CO 0.30 -0.30 1.38 -2.30 0.04 0.00 0.00 177.00 176.11 1x89 n PRO 12 N -2.39 1.82 0.03 0.56 -0.02 -1.26 -4.83 135.00 128.91 1x89 n PRO 12 Ca 0.02 0.66 0.04 0.00 -2.02 0.00 0.00 63.50 62.20 1x89 n PRO 12 Cb 0.55 -2.59 0.20 0.00 -0.02 0.00 0.00 33.50 31.64 1x89 n PRO 12 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1x89 n LEU 13 N -0.82 0.11 0.00 2.45 4.77 -1.26 -0.67 117.00 121.57 1x89 n LEU 13 Ca 0.09 0.54 0.13 0.00 -0.03 0.00 0.00 56.01 56.74 1x89 n LEU 13 Cb 0.44 -0.54 0.60 0.00 -2.33 0.00 0.00 43.42 41.59 1x89 n LEU 13 CO 0.55 -0.47 0.92 -1.54 -1.33 0.00 0.00 177.39 175.51 1x89 n SER 14 N -1.63 0.00 -0.98 -1.43 3.41 -1.26 -2.25 113.62 109.48 1x89 n SER 14 Ca 0.01 0.21 0.12 0.00 -0.26 0.00 0.00 58.87 58.95 1x89 n SER 14 Cb 0.07 -0.40 0.22 0.00 -0.26 0.00 0.00 64.21 63.85 1x89 n SER 14 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1x89 n LYS 15 N -1.40 2.31 -4.04 4.33 4.76 0.15 -4.81 118.16 119.47 1x89 n LYS 15 Ca 0.09 -1.96 -0.32 0.00 -2.87 0.00 0.00 58.31 53.26 1x89 n LYS 15 Cb 0.25 -1.48 -0.15 0.00 -1.84 0.00 0.00 35.03 31.81 1x89 n LYS 15 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1x89 s VAL 16 N -1.72 2.18 0.60 -0.18 1.01 -0.95 -4.99 120.40 116.34 1x89 s VAL 16 Ca 0.35 -1.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.25 1x89 s VAL 16 Cb 0.21 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1x89 s VAL 16 CO 0.31 -0.26 1.19 -2.84 0.00 0.00 0.00 175.10 173.50 1x89 s PRO 17 N 1.04 2.96 -0.13 2.72 0.02 -1.26 -4.99 135.00 135.35 1x89 s PRO 17 Ca -0.01 1.77 -0.02 0.00 0.02 0.00 0.00 61.00 62.76 1x89 s PRO 17 Cb -0.20 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.37 1x89 s PRO 17 CO -0.06 -1.20 -0.07 -1.17 -0.33 0.00 0.00 177.00 174.17 1x89 s LEU 18 N -4.15 3.10 0.11 -5.54 2.96 -1.26 -4.09 118.68 109.82 1x89 s LEU 18 Ca 0.76 -0.16 -0.33 0.00 -0.22 0.00 0.00 54.13 54.18 1x89 s LEU 18 Cb -0.29 -1.72 -0.12 0.00 0.50 0.00 0.00 46.19 44.56 1x89 s LEU 18 CO 0.33 0.20 1.75 1.67 -1.32 0.00 0.00 176.35 178.99 1x89 n GLN 19 N 3.31 2.49 -1.81 1.98 -0.06 -0.30 -4.94 117.38 118.04 1x89 n GLN 19 Ca -0.18 0.90 -0.34 0.00 -2.00 0.00 0.00 57.00 55.39 1x89 n GLN 19 Cb 0.53 -2.74 0.05 0.00 -4.06 0.00 0.00 30.24 24.01 1x89 n GLN 19 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 1x89 s GLN 20 N 2.19 2.79 -1.39 3.69 -0.21 -1.26 -3.83 119.66 121.64 1x89 s GLN 20 Ca 0.82 1.54 -0.08 0.00 0.02 0.00 0.00 55.36 57.66 1x89 s GLN 20 Cb -0.58 -1.94 0.01 0.00 1.00 0.00 0.00 33.01 31.50 1x89 s GLN 20 CO 0.39 -1.28 0.36 -1.71 -2.12 0.00 0.00 175.29 170.93 1x89 n ASN 21 N -2.19 -1.02 -4.76 5.90 2.85 -1.26 -4.85 115.26 109.94 1x89 n ASN 21 Ca 0.11 -1.14 -0.41 0.00 -0.11 0.00 0.00 54.58 53.03 1x89 n ASN 21 Cb 0.51 -2.41 -0.01 0.00 1.24 0.00 0.00 39.78 39.10 1x89 n ASN 21 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 1x89 s PHE 22 N -3.98 2.79 -0.40 1.20 2.19 -1.25 -4.99 117.98 113.53 1x89 s PHE 22 Ca 0.13 0.93 0.03 0.00 0.33 0.00 0.00 56.93 58.34 1x89 s PHE 22 Cb -0.06 -4.00 0.11 0.00 -1.31 0.00 0.00 43.02 37.77 1x89 s PHE 22 CO 0.93 -3.23 0.13 -0.65 1.83 0.00 0.00 175.22 174.24 1x89 s GLN 23 N -0.82 1.70 0.30 10.12 -0.21 -1.26 -4.78 119.66 124.71 1x89 s GLN 23 Ca 0.60 -2.10 0.06 0.00 0.02 0.00 0.00 55.36 53.94 1x89 s GLN 23 Cb -0.46 -3.29 0.81 0.00 1.00 0.00 0.00 33.01 31.07 1x89 s GLN 23 CO 0.50 -1.01 1.67 0.38 -2.12 0.00 0.00 175.29 174.72 1x89 h ASP 24 N 7.32 0.28 -0.28 5.90 3.04 -1.99 -2.02 116.42 128.66 1x89 h ASP 24 Ca -0.06 0.17 0.06 0.00 -3.24 0.00 0.00 57.03 53.97 1x89 h ASP 24 Cb 0.98 0.17 -0.08 0.00 -1.04 0.00 0.00 39.33 39.37 1x89 h ASP 24 CO 0.59 -0.07 -0.36 -1.13 -2.04 0.00 0.00 179.24 176.22 1x89 h ASN 25 N 0.33 -1.17 1.03 4.15 -0.73 -2.00 -0.57 115.58 116.63 1x89 h ASN 25 Ca 0.60 0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.95 1x89 h ASN 25 Cb 1.21 0.52 0.00 0.00 0.27 0.00 0.00 38.32 40.32 1x89 h ASN 25 CO -0.58 -0.36 0.00 1.56 -0.37 0.00 0.00 177.43 177.68 1x89 h GLN 26 N -0.35 0.00 0.00 6.67 1.08 -1.80 -3.16 115.11 117.55 1x89 h GLN 26 Ca 0.13 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.27 1x89 h GLN 26 Cb 0.57 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 1x89 h GLN 26 CO -0.47 0.00 -0.68 0.35 -0.95 0.00 0.00 178.83 177.08 1x89 h PHE 27 N 0.00 0.00 -2.87 2.96 3.04 -0.79 -3.45 116.94 115.83 1x89 h PHE 27 Ca 0.00 0.00 -0.46 0.00 3.98 0.00 0.00 57.97 61.49 1x89 h PHE 27 Cb 0.52 0.00 0.22 0.00 2.56 0.00 0.00 35.95 39.25 1x89 h PHE 27 CO 0.00 0.24 -0.53 0.00 -2.02 0.00 0.00 178.31 176.00 1x89 n GLN 28 N -2.98 -1.82 0.00 1.11 10.64 -0.95 -4.88 117.38 118.50 1x89 n GLN 28 Ca -0.00 -0.51 0.00 0.00 -1.83 0.00 0.00 57.00 54.66 1x89 n GLN 28 Cb 0.65 -1.94 0.00 0.00 -0.86 0.00 0.00 30.24 28.09 1x89 n GLN 28 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1x89 n GLY 29 N 1.48 -1.77 3.80 2.61 0.00 0.69 -4.87 105.19 107.13 1x89 n GLY 29 Ca 0.03 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 1x89 n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x89 s LYS 30 N 0.00 4.03 -0.03 1.61 2.20 -1.26 -0.47 119.74 125.82 1x89 s LYS 30 Ca 0.00 0.32 0.04 0.00 -0.36 0.00 0.00 55.97 55.97 1x89 s LYS 30 Cb 0.00 -3.30 -0.00 0.00 -1.51 0.00 0.00 37.83 33.02 1x89 s LYS 30 CO 0.00 0.51 -0.15 -1.58 -0.36 0.00 0.00 175.35 173.77 1x89 s TRP 31 N -0.45 1.43 0.02 4.03 0.52 -0.74 -4.75 118.94 119.00 1x89 s TRP 31 Ca 0.22 -0.35 -0.09 0.00 0.02 0.00 0.00 56.10 55.90 1x89 s TRP 31 Cb -0.15 -0.96 -0.05 0.00 -1.15 0.00 0.00 33.47 31.16 1x89 s TRP 31 CO 0.10 -0.10 0.32 0.71 0.02 0.00 0.00 176.95 178.00 1x89 s TYR 32 N -0.06 3.60 -0.84 -1.98 2.02 0.66 -1.61 117.35 119.14 1x89 s TYR 32 Ca -0.00 0.69 -0.17 0.00 -0.37 0.00 0.00 57.07 57.21 1x89 s TYR 32 Cb -0.09 -2.07 0.16 0.00 -0.40 0.00 0.00 41.96 39.56 1x89 s TYR 32 CO 0.01 0.60 0.93 0.08 -1.57 0.00 0.00 175.55 175.59 1x89 s VAL 33 N -1.28 5.08 -0.45 0.71 1.01 -0.78 -1.38 120.40 123.31 1x89 s VAL 33 Ca 0.28 -1.83 0.23 0.00 0.00 0.00 0.00 61.98 60.66 1x89 s VAL 33 Cb -0.14 -4.62 0.07 0.00 0.00 0.00 0.00 36.38 31.70 1x89 s VAL 33 CO 0.15 -1.27 1.25 0.58 0.00 0.00 0.00 175.10 175.82 1x89 h VAL 34 N 5.44 0.00 -2.93 2.92 2.07 -1.74 -3.39 116.25 118.62 1x89 h VAL 34 Ca 0.07 -0.77 -0.15 0.00 0.82 0.00 0.00 66.70 66.67 1x89 h VAL 34 Cb 1.04 1.38 -0.25 0.00 -1.52 0.00 0.00 31.29 31.94 1x89 h VAL 34 CO 0.97 0.00 -0.35 -0.83 0.02 0.00 0.00 177.57 177.38 1x89 s GLY 35 N -4.03 -0.24 -0.04 2.17 0.00 -0.78 -4.06 107.32 100.34 1x89 s GLY 35 Ca 0.04 0.98 -0.01 0.00 0.00 0.00 0.00 44.72 45.73 1x89 s GLY 35 CO 0.74 0.92 0.04 -2.27 0.00 0.00 0.00 173.10 172.54 1x89 s LEU 36 N 0.40 0.52 -0.03 0.66 0.20 0.06 -0.44 118.68 120.05 1x89 s LEU 36 Ca -0.02 0.05 -0.04 0.00 0.69 0.00 0.00 54.13 54.82 1x89 s LEU 36 Cb -0.04 -0.14 0.01 0.00 -0.43 0.00 0.00 46.19 45.59 1x89 s LEU 36 CO -0.02 -0.20 0.09 0.00 -0.29 0.00 0.00 176.35 175.94 1x89 s ALA 37 N 1.75 -0.23 -0.25 5.97 0.00 0.01 -0.06 121.76 128.95 1x89 s ALA 37 Ca -0.00 0.18 -0.37 0.00 0.00 0.00 0.00 51.96 51.77 1x89 s ALA 37 Cb -0.12 -0.12 0.15 0.00 0.00 0.00 0.00 23.12 23.03 1x89 s ALA 37 CO -0.03 -0.07 1.38 0.20 0.00 0.00 0.00 175.76 177.24 1x89 s GLY 38 N -0.19 -0.26 0.00 0.00 0.00 -0.97 0.78 107.32 106.68 1x89 s GLY 38 Ca -0.02 1.73 0.08 0.00 0.00 0.00 0.00 44.72 46.50 1x89 s GLY 38 CO 0.00 0.55 1.18 1.16 0.00 0.00 0.00 173.10 175.99 1x89 n ASN 39 N -0.10 0.00 0.00 1.64 6.94 -0.92 -0.88 115.26 121.94 1x89 n ASN 39 Ca 0.03 0.33 0.00 0.00 -0.02 0.00 0.00 54.58 54.91 1x89 n ASN 39 Cb 0.58 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 1x89 n ASN 39 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1x89 n ALA 40 N -1.39 2.44 -2.45 -2.53 0.00 -1.26 -4.57 120.51 110.75 1x89 n ALA 40 Ca 0.03 -0.56 -0.31 0.00 0.00 0.00 0.00 53.44 52.60 1x89 n ALA 40 Cb 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.48 1x89 n ALA 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x89 s ILE 41 N -0.12 4.96 -0.12 0.00 -1.09 -0.06 -5.08 121.20 119.69 1x89 s ILE 41 Ca 0.00 0.36 -0.05 0.00 -2.23 0.00 0.00 60.65 58.73 1x89 s ILE 41 Cb 0.00 -3.65 0.06 0.00 -1.58 0.00 0.00 42.46 37.29 1x89 s ILE 41 CO 0.00 -0.13 0.24 -0.76 -1.23 0.00 0.00 174.94 173.06 1x89 s LEU 42 N -3.00 -0.15 0.28 2.97 1.43 -1.26 -4.51 118.68 114.44 1x89 s LEU 42 Ca 0.46 0.54 -0.30 0.00 -1.03 0.00 0.00 54.13 53.80 1x89 s LEU 42 Cb -0.11 0.63 -0.12 0.00 0.03 0.00 0.00 46.19 46.62 1x89 s LEU 42 CO 0.24 -0.23 1.60 -2.11 0.23 0.00 0.00 176.35 176.08 1x89 n ARG 43 N 5.17 2.69 0.00 1.70 -4.01 0.64 -5.00 116.66 117.84 1x89 n ARG 43 Ca -0.09 0.96 0.00 0.00 -1.04 0.00 0.00 57.85 57.68 1x89 n ARG 43 Cb 0.50 -2.74 0.00 0.00 -3.04 0.00 0.00 32.46 27.18 1x89 n ARG 43 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1x89 n GLU 44 N 2.33 0.00 -4.13 2.89 1.02 -1.26 -5.04 120.64 116.46 1x89 n GLU 44 Ca 0.09 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.09 1x89 n GLU 44 Cb 0.36 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.65 1x89 n GLU 44 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1x89 s PRO 48 N 0.25 0.47 -0.16 3.49 0.02 -1.26 -5.12 135.00 132.69 1x89 s PRO 48 Ca 0.00 -0.41 -0.33 0.00 0.02 0.00 0.00 61.00 60.27 1x89 s PRO 48 Cb 0.00 -0.37 -0.11 0.00 0.02 0.00 0.00 34.50 34.04 1x89 s PRO 48 CO 0.00 0.09 2.00 0.00 -0.33 0.00 0.00 177.00 178.76 1x89 n GLN 49 N 2.37 1.95 -2.56 5.54 -0.00 -1.26 -4.90 117.38 118.53 1x89 n GLN 49 Ca -0.17 0.67 -0.34 0.00 -0.00 0.00 0.00 57.00 57.17 1x89 n GLN 49 Cb 0.57 -2.71 -0.04 0.00 -0.00 0.00 0.00 30.24 28.06 1x89 n GLN 49 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1x89 s LYS 50 N 4.85 3.87 0.54 2.61 1.02 -1.26 -0.68 119.74 130.69 1x89 s LYS 50 Ca 0.97 1.27 -0.18 0.00 0.02 0.00 0.00 55.97 58.05 1x89 s LYS 50 Cb -0.66 -2.11 -0.06 0.00 -0.52 0.00 0.00 37.83 34.48 1x89 s LYS 50 CO 0.49 -0.36 1.07 1.41 -0.92 0.00 0.00 175.35 177.03 1x89 s MET 51 N -3.34 3.49 0.18 1.68 -2.45 0.29 -4.62 119.30 114.53 1x89 s MET 51 Ca 0.65 1.36 -0.04 0.00 -1.25 0.00 0.00 55.69 56.41 1x89 s MET 51 Cb -0.14 -2.05 -0.03 0.00 1.25 0.00 0.00 34.83 33.86 1x89 s MET 51 CO 0.20 -0.69 0.19 1.52 1.05 0.00 0.00 175.02 177.29 1x89 s TYR 52 N -2.12 0.80 0.20 4.11 1.13 -1.26 -4.60 117.35 115.61 1x89 s TYR 52 Ca 0.67 -1.11 0.05 0.00 -1.41 0.00 0.00 57.07 55.28 1x89 s TYR 52 Cb -0.18 -0.32 -0.05 0.00 -1.10 0.00 0.00 41.96 40.31 1x89 s TYR 52 CO 0.28 -0.67 -0.09 0.00 -2.51 0.00 0.00 175.55 172.56 1x89 s ALA 53 N -4.07 1.80 -0.07 9.51 0.00 -0.27 -1.86 121.76 126.80 1x89 s ALA 53 Ca 0.28 -1.65 -0.01 0.00 0.00 0.00 0.00 51.96 50.58 1x89 s ALA 53 Cb 0.05 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.32 1x89 s ALA 53 CO 0.06 -0.08 -0.02 0.99 0.00 0.00 0.00 175.76 176.72 1x89 s THR 54 N -3.20 0.46 -0.24 0.00 2.01 -0.63 -0.70 115.64 113.34 1x89 s THR 54 Ca 0.22 0.03 -0.09 0.00 0.31 0.00 0.00 61.69 62.16 1x89 s THR 54 Cb 0.02 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 1x89 s THR 54 CO 0.05 0.26 0.12 -0.63 -0.69 0.00 0.00 174.62 173.74 1x89 s ILE 55 N 1.68 4.98 -0.38 1.82 1.01 0.88 -1.79 121.20 129.39 1x89 s ILE 55 Ca 0.01 0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.61 1x89 s ILE 55 Cb -0.13 -3.32 0.04 0.00 0.01 0.00 0.00 42.46 39.07 1x89 s ILE 55 CO -0.04 0.35 0.20 -0.31 0.00 0.00 0.00 174.94 175.13 1x89 s TYR 56 N 1.21 3.27 -0.47 3.97 2.02 0.38 -1.12 117.35 126.60 1x89 s TYR 56 Ca 0.06 -1.18 -0.16 0.00 -0.37 0.00 0.00 57.07 55.42 1x89 s TYR 56 Cb -0.14 -2.52 0.07 0.00 -0.40 0.00 0.00 41.96 38.97 1x89 s TYR 56 CO 0.05 -0.71 0.42 -1.21 -1.57 0.00 0.00 175.55 172.53 1x89 s GLU 57 N 1.49 2.99 -0.05 -0.62 0.41 -0.01 0.25 118.70 123.16 1x89 s GLU 57 Ca 0.01 -1.29 -0.30 0.00 -0.41 0.00 0.00 54.97 52.99 1x89 s GLU 57 Cb -0.20 -4.13 -0.07 0.00 -1.78 0.00 0.00 34.13 27.96 1x89 s GLU 57 CO 0.05 -1.04 1.85 -0.51 -0.49 0.00 0.00 175.26 175.12 1x89 s LEU 58 N 1.75 4.22 0.34 1.80 1.43 -1.26 -1.57 118.68 125.38 1x89 s LEU 58 Ca 0.05 2.31 -0.12 0.00 -1.03 0.00 0.00 54.13 55.34 1x89 s LEU 58 Cb -0.24 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.38 1x89 s LEU 58 CO 0.07 -1.14 0.71 -0.54 0.23 0.00 0.00 176.35 175.68 1x89 s LYS 59 N 4.56 3.86 0.58 1.70 1.02 0.29 -4.91 119.74 126.84 1x89 s LYS 59 Ca 0.83 0.49 0.31 0.00 0.02 0.00 0.00 55.97 57.61 1x89 s LYS 59 Cb -0.36 -2.46 1.42 0.00 -0.52 0.00 0.00 37.83 35.90 1x89 s LYS 59 CO 0.35 0.11 1.79 0.93 -0.92 0.00 0.00 175.35 177.61 1x89 h GLU 60 N 1.88 0.00 -0.06 1.68 5.08 -1.93 0.71 114.58 121.94 1x89 h GLU 60 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1x89 h GLU 60 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1x89 h GLU 60 CO 0.65 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.26 1x89 n ASP 61 N -3.79 0.55 0.00 1.42 5.68 -1.26 -4.91 116.55 114.23 1x89 n ASP 61 Ca 0.15 -1.53 0.00 0.00 -0.50 0.00 0.00 54.79 52.91 1x89 n ASP 61 Cb 0.96 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.91 1x89 n ASP 61 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1x89 n LYS 62 N -0.42 0.00 -2.28 0.11 0.00 0.25 -5.03 118.16 110.79 1x89 n LYS 62 Ca 0.14 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.20 1x89 n LYS 62 Cb 0.15 -1.86 0.15 0.00 -0.00 0.00 0.00 35.03 33.46 1x89 n LYS 62 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1x89 n SER 63 N 0.00 0.89 -4.07 -5.58 7.64 -1.26 -4.58 113.62 106.66 1x89 n SER 63 Ca 0.00 -1.88 -0.28 0.00 1.01 0.00 0.00 58.87 57.71 1x89 n SER 63 Cb 0.00 -0.76 -0.17 0.00 -1.01 0.00 0.00 64.21 62.27 1x89 n SER 63 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1x89 s TYR 64 N -3.31 1.95 -0.12 1.43 1.51 -0.48 -0.55 117.35 117.78 1x89 s TYR 64 Ca 0.68 -0.88 -0.21 0.00 -1.01 0.00 0.00 57.07 55.65 1x89 s TYR 64 Cb -0.03 -1.40 -0.03 0.00 -0.11 0.00 0.00 41.96 40.39 1x89 s TYR 64 CO 0.46 -0.44 0.63 1.21 -1.11 0.00 0.00 175.55 176.30 1x89 s ASN 65 N 0.88 6.82 -0.24 2.29 2.47 -0.61 -0.97 114.94 125.58 1x89 s ASN 65 Ca -0.09 0.99 -0.02 0.00 0.42 0.00 0.00 52.86 54.16 1x89 s ASN 65 Cb -0.15 -2.36 0.02 0.00 -1.45 0.00 0.00 41.25 37.31 1x89 s ASN 65 CO 0.00 -0.15 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.48 1x89 s VAL 66 N 1.17 2.89 -0.08 -5.21 1.01 0.20 -0.83 120.40 119.55 1x89 s VAL 66 Ca 0.32 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1x89 s VAL 66 Cb -0.16 -2.45 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 1x89 s VAL 66 CO 0.14 0.23 -0.21 0.28 0.00 0.00 0.00 175.10 175.53 1x89 s THR 67 N 1.34 1.83 -0.13 3.92 -1.32 -0.27 -1.00 115.64 120.00 1x89 s THR 67 Ca 0.01 -0.90 -0.04 0.00 -1.21 0.00 0.00 61.69 59.55 1x89 s THR 67 Cb -0.16 -1.58 -0.03 0.00 -1.51 0.00 0.00 72.50 69.21 1x89 s THR 67 CO -0.05 0.51 0.02 -0.44 -2.21 0.00 0.00 174.62 172.45 1x89 s SER 68 N 0.26 5.32 -0.12 8.08 0.01 0.14 -0.08 113.70 127.31 1x89 s SER 68 Ca -0.13 0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.23 1x89 s SER 68 Cb -0.16 -1.70 0.02 0.00 0.21 0.00 0.00 66.02 64.39 1x89 s SER 68 CO 0.06 0.29 -0.16 -0.69 0.41 0.00 0.00 173.24 173.15 1x89 s VAL 69 N -0.32 1.59 0.14 3.43 1.01 0.13 -0.57 120.40 125.81 1x89 s VAL 69 Ca 0.07 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.42 1x89 s VAL 69 Cb -0.12 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1x89 s VAL 69 CO 0.02 0.46 -0.14 -0.76 0.00 0.00 0.00 175.10 174.68 1x89 s LEU 70 N 1.03 2.44 -0.36 3.92 1.43 -0.82 -1.12 118.68 125.20 1x89 s LEU 70 Ca -0.05 -0.86 -0.15 0.00 -1.03 0.00 0.00 54.13 52.04 1x89 s LEU 70 Cb -0.15 -0.56 -0.01 0.00 0.03 0.00 0.00 46.19 45.51 1x89 s LEU 70 CO -0.03 -0.16 0.32 0.12 0.23 0.00 0.00 176.35 176.83 1x89 s PHE 71 N -2.37 3.22 -0.01 0.29 5.99 -1.26 -1.07 117.98 122.77 1x89 s PHE 71 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 56.93 56.85 1x89 s PHE 71 Cb -0.04 -2.61 0.01 0.00 0.00 0.00 0.00 43.02 40.38 1x89 s PHE 71 CO 0.03 -0.45 0.01 1.03 -0.00 0.00 0.00 175.22 175.84 1x89 s ARG 72 N 1.88 0.06 -1.36 10.12 1.81 -0.20 -4.90 118.95 126.36 1x89 s ARG 72 Ca 0.09 0.05 -0.14 0.00 -1.72 0.00 0.00 55.73 54.02 1x89 s ARG 72 Cb -0.17 -0.17 0.01 0.00 -0.45 0.00 0.00 34.95 34.17 1x89 s ARG 72 CO 0.11 -0.06 0.41 0.36 -0.68 0.00 0.00 175.30 175.44 1x89 n LYS 73 N 3.54 -1.29 -1.28 3.54 0.00 -1.26 -0.63 118.16 120.78 1x89 n LYS 73 Ca -0.19 0.20 -0.11 0.00 -0.00 0.00 0.00 58.31 58.22 1x89 n LYS 73 Cb 0.56 -3.54 -0.05 0.00 -0.00 0.00 0.00 35.03 32.00 1x89 n LYS 73 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1x89 n LYS 74 N -4.64 -1.68 -4.41 -1.58 3.00 -1.26 -4.96 118.16 102.63 1x89 n LYS 74 Ca -0.23 0.84 -0.20 0.00 -0.00 0.00 0.00 58.31 58.72 1x89 n LYS 74 Cb 0.64 -5.19 -0.10 0.00 0.00 0.00 0.00 35.03 30.38 1x89 n LYS 74 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1x89 s LYS 75 N -2.84 1.55 -0.27 1.64 1.02 0.19 -5.12 119.74 115.91 1x89 s LYS 75 Ca 0.00 -1.83 -0.12 0.00 0.02 0.00 0.00 55.97 54.04 1x89 s LYS 75 Cb 0.00 -0.77 -0.05 0.00 -0.52 0.00 0.00 37.83 36.50 1x89 s LYS 75 CO 0.00 -0.16 0.22 0.00 -0.92 0.00 0.00 175.35 174.49 1x89 s ASP 77 N 1.63 5.23 -0.11 0.00 1.01 -0.23 -4.98 116.67 119.22 1x89 s ASP 77 Ca 0.08 -0.01 -0.00 0.00 0.71 0.00 0.00 52.55 53.34 1x89 s ASP 77 Cb -0.16 -1.84 -0.02 0.00 1.01 0.00 0.00 42.92 41.91 1x89 s ASP 77 CO 0.10 0.19 -0.10 -0.31 0.21 0.00 0.00 175.17 175.26 1x89 s TYR 78 N 0.25 2.87 -0.17 4.23 2.02 -1.26 -1.95 117.35 123.34 1x89 s TYR 78 Ca 0.01 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.37 1x89 s TYR 78 Cb -0.13 -1.81 0.02 0.00 -0.40 0.00 0.00 41.96 39.64 1x89 s TYR 78 CO 0.02 0.01 -0.19 -1.58 -1.57 0.00 0.00 175.55 172.24 1x89 s TRP 79 N -0.07 2.62 -0.01 2.71 0.51 0.27 -4.95 118.94 120.02 1x89 s TRP 79 Ca -0.01 -1.53 0.06 0.00 -2.12 0.00 0.00 56.10 52.51 1x89 s TRP 79 Cb -0.14 -1.83 -0.03 0.00 -0.81 0.00 0.00 33.47 30.66 1x89 s TRP 79 CO 0.03 -0.77 -0.20 0.96 -0.51 0.00 0.00 176.95 176.47 1x89 s ILE 80 N 1.32 2.60 0.34 2.03 -4.36 -1.26 0.27 121.20 122.15 1x89 s ILE 80 Ca 0.05 -1.03 -0.02 0.00 -0.26 0.00 0.00 60.65 59.39 1x89 s ILE 80 Cb -0.13 -2.01 0.00 0.00 1.25 0.00 0.00 42.46 41.57 1x89 s ILE 80 CO -0.12 0.50 0.47 -0.13 0.24 0.00 0.00 174.94 175.90 1x89 s ARG 81 N -0.93 1.92 -0.05 0.37 1.81 -0.17 -5.01 118.95 116.88 1x89 s ARG 81 Ca 0.12 -1.77 0.03 0.00 -1.72 0.00 0.00 55.73 52.39 1x89 s ARG 81 Cb -0.10 0.44 0.01 0.00 -0.45 0.00 0.00 34.95 34.84 1x89 s ARG 81 CO 0.01 -0.79 -0.13 0.99 -0.68 0.00 0.00 175.30 174.70 1x89 s THR 82 N -3.05 1.14 -0.22 0.02 2.01 -1.26 -0.63 115.64 113.65 1x89 s THR 82 Ca 0.31 -0.52 -0.04 0.00 0.31 0.00 0.00 61.69 61.74 1x89 s THR 82 Cb -0.00 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.48 1x89 s THR 82 CO 0.21 0.35 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.09 1x89 s PHE 83 N 0.36 2.97 -0.12 4.92 2.99 -0.14 0.20 117.98 129.15 1x89 s PHE 83 Ca -0.09 -0.84 -0.03 0.00 0.00 0.00 0.00 56.93 55.97 1x89 s PHE 83 Cb -0.13 -2.11 -0.03 0.00 0.00 0.00 0.00 43.02 40.75 1x89 s PHE 83 CO 0.02 -0.50 -0.01 0.14 -0.00 0.00 0.00 175.22 174.88 1x89 s VAL 84 N 1.42 4.19 0.07 -0.44 -7.23 0.17 -1.38 120.40 117.20 1x89 s VAL 84 Ca 0.05 -0.27 -0.37 0.00 -1.81 0.00 0.00 61.98 59.58 1x89 s VAL 84 Cb -0.14 -2.80 -0.18 0.00 0.56 0.00 0.00 36.38 33.82 1x89 s VAL 84 CO -0.02 0.55 1.09 -2.65 -0.31 0.00 0.00 175.10 173.76 1x89 n PRO 85 N 2.80 0.48 -0.27 4.82 -0.02 -1.26 -0.36 135.00 141.19 1x89 n PRO 85 Ca -0.18 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1x89 n PRO 85 Cb 0.53 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 1x89 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x89 n GLY 86 N 1.89 1.17 0.34 -1.23 0.00 -0.26 -4.75 105.19 102.35 1x89 n GLY 86 Ca 0.19 -1.96 -0.03 0.00 0.00 0.00 0.00 46.02 44.21 1x89 n GLY 86 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x89 h SER 87 N 0.00 1.03 -3.43 1.61 4.64 -1.94 -3.43 113.55 112.02 1x89 h SER 87 Ca 0.00 -0.04 -0.66 0.00 -0.47 0.00 0.00 61.79 60.62 1x89 h SER 87 Cb 0.00 -0.26 -0.14 0.00 -0.31 0.00 0.00 62.40 61.69 1x89 h SER 87 CO 0.00 0.76 -0.68 -1.10 -0.87 0.00 0.00 176.83 174.94 1x89 s GLN 88 N -6.09 2.52 0.25 4.77 -1.52 -1.26 -5.08 119.66 113.26 1x89 s GLN 88 Ca -0.13 -0.81 -0.30 0.00 -1.95 0.00 0.00 55.36 52.17 1x89 s GLN 88 Cb 0.17 -2.52 -0.11 0.00 -0.22 0.00 0.00 33.01 30.33 1x89 s GLN 88 CO 0.80 0.56 1.58 -2.14 -0.25 0.00 0.00 175.29 175.85 1x89 s PRO 89 N -1.99 4.16 0.00 2.91 0.02 -1.26 -1.87 135.00 136.97 1x89 s PRO 89 Ca 0.22 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.75 1x89 s PRO 89 Cb -0.11 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1x89 s PRO 89 CO 0.14 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.61 1x89 n GLY 90 N 2.67 1.16 3.73 0.52 0.00 -1.26 -4.60 105.19 107.40 1x89 n GLY 90 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1x89 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x89 s GLU 91 N -0.78 2.70 0.05 1.61 2.02 -0.78 -1.32 118.70 122.19 1x89 s GLU 91 Ca 0.00 -0.78 -0.05 0.00 0.02 0.00 0.00 54.97 54.16 1x89 s GLU 91 Cb 0.00 -2.62 -0.02 0.00 0.10 0.00 0.00 34.13 31.59 1x89 s GLU 91 CO 0.00 0.55 0.07 -0.06 0.02 0.00 0.00 175.26 175.84 1x89 s PHE 92 N -1.37 0.28 0.28 1.61 0.40 0.04 -1.10 117.98 118.11 1x89 s PHE 92 Ca 0.27 -0.66 0.08 0.00 -0.60 0.00 0.00 56.93 56.02 1x89 s PHE 92 Cb -0.12 -0.19 -0.06 0.00 0.51 0.00 0.00 43.02 43.16 1x89 s PHE 92 CO 0.20 -0.39 -0.10 0.95 0.70 0.00 0.00 175.22 176.59 1x89 s THR 93 N -3.08 1.87 -0.35 0.64 -4.23 0.52 -0.57 115.64 110.44 1x89 s THR 93 Ca -0.01 -2.19 -0.27 0.00 -1.18 0.00 0.00 61.69 58.04 1x89 s THR 93 Cb 0.02 -2.40 0.02 0.00 1.34 0.00 0.00 72.50 71.47 1x89 s THR 93 CO -0.07 -0.34 1.00 -0.22 -0.54 0.00 0.00 174.62 174.45 1x89 s LEU 94 N -3.46 3.94 0.39 4.79 2.96 -1.26 0.43 118.68 126.48 1x89 s LEU 94 Ca 0.29 0.81 -0.25 0.00 -0.22 0.00 0.00 54.13 54.75 1x89 s LEU 94 Cb 0.02 -3.41 -0.11 0.00 0.50 0.00 0.00 46.19 43.19 1x89 s LEU 94 CO 0.12 -0.88 1.11 0.61 -1.32 0.00 0.00 176.35 175.99 1x89 n GLY 95 N 4.15 0.06 4.41 7.98 0.00 0.52 -2.37 105.19 119.94 1x89 n GLY 95 Ca 0.10 0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.95 1x89 n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x89 n ASN 96 N 0.56 -0.29 -0.20 1.61 4.13 -1.26 -4.64 115.26 115.16 1x89 n ASN 96 Ca 0.08 -1.26 0.19 0.00 1.68 0.00 0.00 54.58 55.27 1x89 n ASN 96 Cb 0.38 -1.63 0.54 0.00 -1.54 0.00 0.00 39.78 37.53 1x89 n ASN 96 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 1x89 h ILE 97 N -1.40 0.70 0.00 2.41 2.10 -1.88 -1.48 117.51 117.97 1x89 h ILE 97 Ca -0.63 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.19 1x89 h ILE 97 Cb 1.40 0.33 0.00 0.00 -1.09 0.00 0.00 36.82 37.46 1x89 h ILE 97 CO 0.79 0.06 0.00 0.11 -1.08 0.00 0.00 178.15 178.03 1x89 h LYS 98 N 0.34 0.00 -0.26 2.19 1.79 -1.88 -1.63 116.57 117.12 1x89 h LYS 98 Ca 0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.89 1x89 h LYS 98 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1x89 h LYS 98 CO -0.13 0.00 0.00 -1.13 -1.08 0.00 0.00 179.45 177.11 1x89 n SER 99 N -2.65 1.65 -4.31 0.86 3.41 -0.56 -4.74 113.62 107.28 1x89 n SER 99 Ca -0.01 -1.89 -0.37 0.00 -0.26 0.00 0.00 58.87 56.34 1x89 n SER 99 Cb 0.14 -0.17 -0.13 0.00 -0.26 0.00 0.00 64.21 63.79 1x89 n SER 99 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1x89 s TYR 100 N -1.65 3.17 0.17 7.33 1.51 -0.62 -5.06 117.35 122.20 1x89 s TYR 100 Ca 0.25 -1.14 -0.32 0.00 -1.01 0.00 0.00 57.07 54.85 1x89 s TYR 100 Cb 0.13 -2.25 -0.11 0.00 -0.11 0.00 0.00 41.96 39.62 1x89 s TYR 100 CO 0.18 -0.63 1.71 -2.14 -1.11 0.00 0.00 175.55 173.57 1x89 s PRO 101 N 1.46 4.15 0.00 -1.71 0.02 -1.26 -2.60 135.00 135.06 1x89 s PRO 101 Ca 0.01 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.57 1x89 s PRO 101 Cb -0.18 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.08 1x89 s PRO 101 CO 0.02 -0.74 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 1x89 n GLY 102 N 4.00 2.18 3.48 0.52 0.00 -1.26 -4.96 105.19 109.15 1x89 n GLY 102 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1x89 n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x89 s LEU 103 N 0.00 4.74 -0.11 0.99 2.96 -1.07 -1.67 118.68 124.52 1x89 s LEU 103 Ca 0.00 -0.64 0.19 0.00 -0.22 0.00 0.00 54.13 53.46 1x89 s LEU 103 Cb 0.00 -2.56 -0.26 0.00 0.50 0.00 0.00 46.19 43.87 1x89 s LEU 103 CO 0.00 -0.82 0.32 0.35 -1.32 0.00 0.00 176.35 174.88 1x89 n THR 104 N 5.70 0.93 -3.84 3.68 -2.24 -0.33 -4.83 114.28 113.35 1x89 n THR 104 Ca -0.04 -0.72 -0.11 0.00 -2.27 0.00 0.00 64.05 60.91 1x89 n THR 104 Cb 0.47 -0.37 -0.09 0.00 -2.10 0.00 0.00 70.33 68.24 1x89 n THR 104 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x89 s SER 105 N -5.24 0.02 -0.26 3.42 1.04 -1.17 -4.95 113.70 106.54 1x89 s SER 105 Ca -0.08 -0.31 -0.20 0.00 0.48 0.00 0.00 55.95 55.83 1x89 s SER 105 Cb 0.09 0.28 0.07 0.00 0.10 0.00 0.00 66.02 66.56 1x89 s SER 105 CO 0.85 -0.52 0.68 -0.47 0.98 0.00 0.00 173.24 174.76 1x89 s TYR 106 N -2.30 -0.87 -0.08 5.02 6.14 -1.26 -1.36 117.35 122.63 1x89 s TYR 106 Ca -0.07 1.93 -0.08 0.00 0.64 0.00 0.00 57.07 59.49 1x89 s TYR 106 Cb -0.02 0.40 0.02 0.00 0.42 0.00 0.00 41.96 42.78 1x89 s TYR 106 CO -0.02 -0.42 0.23 -1.17 0.64 0.00 0.00 175.55 174.80 1x89 s LEU 107 N 0.88 1.11 -0.04 6.97 2.96 0.84 -4.33 118.68 127.08 1x89 s LEU 107 Ca -0.04 0.44 0.05 0.00 -0.22 0.00 0.00 54.13 54.36 1x89 s LEU 107 Cb -0.05 0.81 -0.01 0.00 0.50 0.00 0.00 46.19 47.44 1x89 s LEU 107 CO -0.07 -0.10 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.96 1x89 s VAL 108 N 0.03 1.69 -0.16 1.68 1.01 0.27 -1.24 120.40 123.67 1x89 s VAL 108 Ca -0.01 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1x89 s VAL 108 Cb -0.02 -1.43 0.06 0.00 0.00 0.00 0.00 36.38 34.99 1x89 s VAL 108 CO 0.00 0.48 0.08 -0.60 0.00 0.00 0.00 175.10 175.06 1x89 s ARG 109 N -0.16 0.11 -0.21 2.72 3.52 0.70 -0.78 118.95 124.85 1x89 s ARG 109 Ca -0.01 -0.06 -0.29 0.00 -0.13 0.00 0.00 55.73 55.24 1x89 s ARG 109 Cb -0.11 -1.71 -0.04 0.00 -1.56 0.00 0.00 34.95 31.52 1x89 s ARG 109 CO 0.02 -0.63 1.93 0.08 -0.81 0.00 0.00 175.30 175.89 1x89 s VAL 110 N 2.11 3.30 -0.05 7.11 1.01 -0.43 -1.34 120.40 132.10 1x89 s VAL 110 Ca 0.02 0.32 -0.18 0.00 0.00 0.00 0.00 61.98 62.14 1x89 s VAL 110 Cb -0.16 -3.34 -0.31 0.00 0.00 0.00 0.00 36.38 32.58 1x89 s VAL 110 CO -0.08 -0.18 0.79 0.58 0.00 0.00 0.00 175.10 176.21 1x89 h VAL 111 N 6.60 1.29 -1.99 2.92 2.07 -0.41 -0.80 116.25 125.92 1x89 h VAL 111 Ca -0.39 -2.52 -0.04 0.00 0.82 0.00 0.00 66.70 64.58 1x89 h VAL 111 Cb 1.20 3.00 -0.21 0.00 -1.52 0.00 0.00 31.29 33.76 1x89 h VAL 111 CO 0.98 0.73 0.14 -0.55 0.02 0.00 0.00 177.57 178.90 1x89 s SER 112 N -7.11 -0.74 -0.18 0.57 0.15 -0.99 -2.74 113.70 102.65 1x89 s SER 112 Ca -0.15 1.42 -0.29 0.00 0.70 0.00 0.00 55.95 57.63 1x89 s SER 112 Cb 0.03 1.43 0.12 0.00 -1.71 0.00 0.00 66.02 65.90 1x89 s SER 112 CO 0.83 -0.26 0.99 0.28 1.20 0.00 0.00 173.24 176.29 1x89 s THR 113 N 0.33 0.00 -0.31 6.45 -1.32 -1.26 0.10 115.64 119.63 1x89 s THR 113 Ca -0.00 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.60 1x89 s THR 113 Cb -0.05 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.23 1x89 s THR 113 CO 0.01 0.00 1.21 -0.46 -2.21 0.00 0.00 174.62 173.18 1x89 n ASN 114 N 0.99 2.83 0.00 8.08 6.94 -1.02 -5.01 115.26 128.06 1x89 n ASN 114 Ca -0.11 -2.54 0.00 0.00 -0.02 0.00 0.00 54.58 51.91 1x89 n ASN 114 Cb 0.57 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 1x89 n ASN 114 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1x89 n TYR 115 N -0.48 0.00 0.66 -2.53 4.01 -1.25 -4.36 117.16 113.20 1x89 n TYR 115 Ca 0.13 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.94 1x89 n TYR 115 Cb 0.56 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.64 1x89 n TYR 115 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1x89 n ASN 116 N 0.04 2.10 0.03 7.72 0.23 -1.26 -4.77 115.26 119.34 1x89 n ASN 116 Ca 0.00 -1.55 0.00 0.00 -0.53 0.00 0.00 54.58 52.50 1x89 n ASN 116 Cb 0.00 0.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 1x89 n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x89 n GLN 117 N 0.60 0.00 -3.80 -3.83 6.02 -1.26 -4.74 117.38 110.36 1x89 n GLN 117 Ca 0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.98 1x89 n GLN 117 Cb 0.37 -0.22 -0.06 0.00 1.02 0.00 0.00 30.24 31.36 1x89 n GLN 117 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1x89 s HIS 118 N -2.00 0.07 -0.00 1.08 -3.43 -1.26 0.27 115.29 110.02 1x89 s HIS 118 Ca 0.00 -0.43 -0.20 0.00 -0.80 0.00 0.00 55.06 53.63 1x89 s HIS 118 Cb 0.00 0.13 0.04 0.00 -1.43 0.00 0.00 32.58 31.32 1x89 s HIS 118 CO 0.00 -0.73 0.43 0.00 -2.00 0.00 0.00 174.74 172.45 1x89 s ALA 119 N -3.88 -1.10 -0.18 -1.38 0.00 -0.44 -2.44 121.76 112.34 1x89 s ALA 119 Ca 0.09 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.61 1x89 s ALA 119 Cb 0.02 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.32 1x89 s ALA 119 CO -0.06 -0.36 -0.20 1.41 0.00 0.00 0.00 175.76 176.56 1x89 s MET 120 N -1.72 3.00 -0.07 0.00 1.75 0.28 0.87 119.30 123.42 1x89 s MET 120 Ca -0.10 -0.82 0.05 0.00 -1.25 0.00 0.00 55.69 53.56 1x89 s MET 120 Cb -0.02 -2.58 -0.00 0.00 2.84 0.00 0.00 34.83 35.06 1x89 s MET 120 CO 0.03 -0.20 -0.21 0.08 -0.65 0.00 0.00 175.02 174.07 1x89 s VAL 121 N 1.28 1.76 -0.15 10.11 1.01 -0.69 0.18 120.40 133.91 1x89 s VAL 121 Ca 0.05 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 1x89 s VAL 121 Cb -0.13 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1x89 s VAL 121 CO -0.12 0.49 0.07 0.12 0.00 0.00 0.00 175.10 175.66 1x89 s PHE 122 N 0.13 3.33 -0.11 5.22 2.19 -0.45 -1.01 117.98 127.27 1x89 s PHE 122 Ca -0.09 0.22 0.02 0.00 0.33 0.00 0.00 56.93 57.42 1x89 s PHE 122 Cb -0.14 -1.99 0.01 0.00 -1.31 0.00 0.00 43.02 39.59 1x89 s PHE 122 CO 0.05 0.37 -0.18 -0.06 1.83 0.00 0.00 175.22 177.23 1x89 s PHE 123 N -0.22 2.18 0.00 10.12 0.08 0.42 -0.22 117.98 130.34 1x89 s PHE 123 Ca 0.08 -1.01 0.05 0.00 0.12 0.00 0.00 56.93 56.17 1x89 s PHE 123 Cb -0.12 -1.53 -0.01 0.00 -0.57 0.00 0.00 43.02 40.79 1x89 s PHE 123 CO 0.01 -0.48 -0.15 0.21 -0.10 0.00 0.00 175.22 174.71 1x89 s LYS 124 N 0.82 1.12 0.06 0.44 2.20 -0.38 -1.56 119.74 122.44 1x89 s LYS 124 Ca -0.09 -0.59 -0.18 0.00 -0.36 0.00 0.00 55.97 54.75 1x89 s LYS 124 Cb -0.16 -1.11 0.04 0.00 -1.51 0.00 0.00 37.83 35.09 1x89 s LYS 124 CO 0.00 0.30 0.41 -1.59 -0.36 0.00 0.00 175.35 174.11 1x89 s LYS 125 N -0.57 0.94 -0.23 4.03 -2.85 -0.49 -0.11 119.74 120.47 1x89 s LYS 125 Ca 0.05 -0.42 0.02 0.00 -1.00 0.00 0.00 55.97 54.62 1x89 s LYS 125 Cb -0.06 0.42 0.04 0.00 -2.06 0.00 0.00 37.83 36.17 1x89 s LYS 125 CO -0.00 -0.33 -0.14 0.08 0.10 0.00 0.00 175.35 175.06 1x89 s VAL 126 N -2.69 2.19 -0.03 1.79 1.01 -0.47 -0.94 120.40 121.26 1x89 s VAL 126 Ca -0.04 -1.32 0.02 0.00 0.00 0.00 0.00 61.98 60.64 1x89 s VAL 126 Cb -0.00 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.25 1x89 s VAL 126 CO -0.04 0.21 -0.07 -0.94 0.00 0.00 0.00 175.10 174.26 1x89 s SER 127 N 1.19 1.03 -1.71 3.32 1.04 -0.78 -1.19 113.70 116.61 1x89 s SER 127 Ca -0.03 -0.15 -0.01 0.00 0.48 0.00 0.00 55.95 56.24 1x89 s SER 127 Cb -0.17 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.62 1x89 s SER 127 CO -0.08 0.03 0.15 0.00 0.98 0.00 0.00 173.24 174.31 1x89 n GLN 128 N 3.48 -2.48 -0.87 4.02 1.13 -0.67 -1.54 117.38 120.44 1x89 n GLN 128 Ca -0.20 0.97 0.00 0.00 -1.94 0.00 0.00 57.00 55.83 1x89 n GLN 128 Cb 0.54 -5.69 0.00 0.00 0.11 0.00 0.00 30.24 25.20 1x89 n GLN 128 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1x89 n ASN 129 N -2.13 -2.94 -4.88 1.08 4.13 -1.26 -4.98 115.26 104.27 1x89 n ASN 129 Ca -0.21 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.69 1x89 n ASN 129 Cb 0.67 -2.07 -0.06 0.00 -1.54 0.00 0.00 39.78 36.79 1x89 n ASN 129 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1x89 s ARG 130 N -1.01 3.52 -0.46 3.52 0.52 -0.59 -5.06 118.95 119.39 1x89 s ARG 130 Ca 0.00 -0.11 -0.16 0.00 -0.52 0.00 0.00 55.73 54.94 1x89 s ARG 130 Cb 0.00 -3.14 0.05 0.00 0.52 0.00 0.00 34.95 32.39 1x89 s ARG 130 CO 0.00 0.71 0.43 -2.00 0.02 0.00 0.00 175.30 174.46 1x89 s GLU 131 N -1.45 3.02 0.11 3.54 2.12 -1.26 -1.86 118.70 122.91 1x89 s GLU 131 Ca 0.22 -1.12 0.03 0.00 0.36 0.00 0.00 54.97 54.45 1x89 s GLU 131 Cb -0.13 -4.08 -0.04 0.00 0.26 0.00 0.00 34.13 30.15 1x89 s GLU 131 CO 0.12 -0.99 0.19 0.71 -0.54 0.00 0.00 175.26 174.75 1x89 s TYR 132 N 1.90 3.36 0.05 5.30 1.51 -0.12 -4.63 117.35 124.72 1x89 s TYR 132 Ca 0.07 0.11 -0.12 0.00 -1.01 0.00 0.00 57.07 56.13 1x89 s TYR 132 Cb -0.21 -1.65 0.01 0.00 -0.11 0.00 0.00 41.96 40.00 1x89 s TYR 132 CO 0.09 0.54 0.25 -0.59 -1.11 0.00 0.00 175.55 174.73 1x89 s PHE 133 N -1.61 -0.03 0.11 2.71 -0.71 -1.26 -1.39 117.98 115.81 1x89 s PHE 133 Ca 0.33 -0.17 -0.21 0.00 -1.04 0.00 0.00 56.93 55.84 1x89 s PHE 133 Cb -0.12 0.04 0.06 0.00 -1.21 0.00 0.00 43.02 41.79 1x89 s PHE 133 CO 0.26 -0.48 0.53 -1.59 -1.34 0.00 0.00 175.22 172.60 1x89 s LYS 134 N -2.67 1.16 -0.05 1.99 -2.85 -0.60 -2.16 119.74 114.56 1x89 s LYS 134 Ca -0.04 -0.44 0.03 0.00 -1.00 0.00 0.00 55.97 54.51 1x89 s LYS 134 Cb -0.01 0.53 0.01 0.00 -2.06 0.00 0.00 37.83 36.30 1x89 s LYS 134 CO -0.04 -0.47 -0.13 0.42 0.10 0.00 0.00 175.35 175.23 1x89 s ILE 135 N -3.35 1.11 0.05 3.79 1.09 0.23 -0.44 121.20 123.69 1x89 s ILE 135 Ca -0.00 -0.50 0.05 0.00 -1.10 0.00 0.00 60.65 59.09 1x89 s ILE 135 Cb -0.00 -1.00 -0.04 0.00 -1.06 0.00 0.00 42.46 40.37 1x89 s ILE 135 CO -0.09 0.34 -0.10 0.42 -0.10 0.00 0.00 174.94 175.41 1x89 s THR 136 N 0.40 3.41 -0.37 2.92 -4.23 -0.18 -0.81 115.64 116.77 1x89 s THR 136 Ca -0.09 -1.02 -0.08 0.00 -1.18 0.00 0.00 61.69 59.32 1x89 s THR 136 Cb -0.13 -2.52 0.05 0.00 1.34 0.00 0.00 72.50 71.24 1x89 s THR 136 CO 0.02 0.28 0.16 -0.22 -0.54 0.00 0.00 174.62 174.33 1x89 s LEU 137 N -1.72 4.62 0.15 4.79 0.20 0.42 -1.70 118.68 125.44 1x89 s LEU 137 Ca 0.18 -1.23 -0.07 0.00 0.69 0.00 0.00 54.13 53.70 1x89 s LEU 137 Cb -0.11 -1.92 -0.06 0.00 -0.43 0.00 0.00 46.19 43.67 1x89 s LEU 137 CO 0.10 -0.39 0.43 -0.31 -0.29 0.00 0.00 176.35 175.88 1x89 s TYR 138 N 1.43 3.49 0.02 5.38 2.02 0.25 -1.87 117.35 128.07 1x89 s TYR 138 Ca 0.00 0.70 0.02 0.00 -0.37 0.00 0.00 57.07 57.43 1x89 s TYR 138 Cb -0.20 -2.11 -0.01 0.00 -0.40 0.00 0.00 41.96 39.23 1x89 s TYR 138 CO 0.03 0.42 -0.07 0.20 -1.57 0.00 0.00 175.55 174.56 1x89 s GLY 139 N -2.22 0.40 0.44 0.71 0.00 -0.48 -1.33 107.32 104.84 1x89 s GLY 139 Ca 0.40 -0.49 0.26 0.00 0.00 0.00 0.00 44.72 44.90 1x89 s GLY 139 CO 0.22 -0.48 1.73 -0.09 0.00 0.00 0.00 173.10 174.47 1x89 h ARG 140 N 5.33 0.00 -5.79 2.90 9.65 -0.48 0.19 114.38 126.19 1x89 h ARG 140 Ca -0.32 0.00 -0.60 0.00 -1.10 0.00 0.00 59.98 57.97 1x89 h ARG 140 Cb 1.19 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.67 1x89 h ARG 140 CO 0.46 0.00 -0.55 0.95 2.80 0.00 0.00 179.97 183.63 1x89 s THR 141 N -3.32 2.17 -1.61 0.20 -4.23 -1.26 -4.74 115.64 102.86 1x89 s THR 141 Ca 0.06 -1.84 0.24 0.00 -1.18 0.00 0.00 61.69 58.97 1x89 s THR 141 Cb 0.07 -3.00 0.50 0.00 1.34 0.00 0.00 72.50 71.42 1x89 s THR 141 CO 0.62 -0.00 1.80 0.29 -0.54 0.00 0.00 174.62 176.79 1x89 n LYS 142 N -1.11 0.47 -4.18 3.99 5.02 -1.26 -4.61 118.16 116.48 1x89 n LYS 142 Ca -0.03 0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 56.18 1x89 n LYS 142 Cb 0.66 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.06 1x89 n LYS 142 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1x89 s GLU 143 N -2.39 0.86 0.09 1.97 2.02 -1.26 -4.81 118.70 115.18 1x89 s GLU 143 Ca 0.27 -1.30 -0.12 0.00 0.02 0.00 0.00 54.97 53.85 1x89 s GLU 143 Cb 0.16 -0.35 0.01 0.00 0.10 0.00 0.00 34.13 34.06 1x89 s GLU 143 CO 0.34 0.02 0.27 -0.51 0.02 0.00 0.00 175.26 175.40 1x89 s LEU 144 N -2.88 1.04 0.43 1.80 1.43 -1.26 -4.89 118.68 114.35 1x89 s LEU 144 Ca 0.10 -0.47 -0.25 0.00 -1.03 0.00 0.00 54.13 52.48 1x89 s LEU 144 Cb 0.02 1.31 -0.08 0.00 0.03 0.00 0.00 46.19 47.48 1x89 s LEU 144 CO -0.03 -0.74 1.32 0.42 0.23 0.00 0.00 176.35 177.56 1x89 s THR 145 N -3.58 2.49 0.48 5.49 -4.23 -1.26 -4.82 115.64 110.21 1x89 s THR 145 Ca 0.02 0.43 0.23 0.00 -1.18 0.00 0.00 61.69 61.19 1x89 s THR 145 Cb 0.03 -3.24 0.41 0.00 1.34 0.00 0.00 72.50 71.03 1x89 s THR 145 CO -0.10 0.05 1.92 0.77 -0.54 0.00 0.00 174.62 176.72 1x89 h SER 146 N 2.44 0.18 -0.10 3.99 4.64 -2.01 0.31 113.55 122.99 1x89 h SER 146 Ca -0.50 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1x89 h SER 146 Cb 1.26 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1x89 h SER 146 CO 0.62 0.08 0.05 -0.33 -0.87 0.00 0.00 176.83 176.38 1x89 h GLU 147 N 0.18 0.15 0.13 4.77 3.07 -1.98 0.21 114.58 121.11 1x89 h GLU 147 Ca 0.37 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.21 1x89 h GLU 147 Cb 1.20 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.08 1x89 h GLU 147 CO -0.07 0.22 -0.09 -0.07 -1.40 0.00 0.00 179.01 177.59 1x89 h LEU 148 N 0.05 -0.24 -2.23 1.33 3.38 -0.79 0.15 115.31 116.96 1x89 h LEU 148 Ca 0.04 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1x89 h LEU 148 Cb 0.12 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1x89 h LEU 148 CO -0.00 -0.15 0.04 0.11 0.09 0.00 0.00 178.44 178.52 1x89 h LYS 149 N -0.23 0.00 0.13 1.13 1.57 -1.22 0.06 116.57 118.01 1x89 h LYS 149 Ca -0.01 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.51 1x89 h LYS 149 Cb 0.20 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.54 1x89 h LYS 149 CO -0.00 0.00 -1.11 0.93 -0.57 0.00 0.00 179.45 178.70 1x89 h GLU 150 N 0.00 0.52 -0.53 3.15 5.08 -0.05 -1.90 114.58 120.86 1x89 h GLU 150 Ca 0.02 -0.74 -0.03 0.00 -1.00 0.00 0.00 59.36 57.61 1x89 h GLU 150 Cb 0.09 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1x89 h GLU 150 CO -0.00 1.33 0.19 -2.95 -1.00 0.00 0.00 179.01 176.58 1x89 h ASN 151 N 0.08 0.70 -0.32 1.42 -1.07 -0.09 -1.74 115.58 114.55 1x89 h ASN 151 Ca -0.18 -0.09 -0.08 0.00 0.07 0.00 0.00 56.30 56.02 1x89 h ASN 151 Cb 1.82 -0.18 -0.02 0.00 -2.07 0.00 0.00 38.32 37.87 1x89 h ASN 151 CO 0.21 0.65 -0.06 0.15 0.07 0.00 0.00 177.43 178.44 1x89 h PHE 152 N 0.75 0.78 -0.15 4.14 3.04 -0.92 -0.89 116.94 123.69 1x89 h PHE 152 Ca 0.18 -0.12 -0.14 0.00 3.98 0.00 0.00 57.97 61.87 1x89 h PHE 152 Cb 0.18 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.49 1x89 h PHE 152 CO 0.01 0.77 -0.45 0.82 -2.02 0.00 0.00 178.31 177.44 1x89 h ILE 153 N 0.67 1.34 -0.59 1.41 2.04 -0.83 -2.53 117.51 119.02 1x89 h ILE 153 Ca 0.12 -1.72 -0.07 0.00 1.00 0.00 0.00 64.86 64.19 1x89 h ILE 153 Cb 0.51 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 1x89 h ILE 153 CO 0.03 0.52 0.07 0.03 0.00 0.00 0.00 178.15 178.80 1x89 h ARG 154 N 0.22 0.97 0.02 2.37 3.08 -1.17 0.55 114.38 120.42 1x89 h ARG 154 Ca -0.01 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 1x89 h ARG 154 Cb 1.07 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1x89 h ARG 154 CO 0.10 0.91 -0.01 0.35 -1.07 0.00 0.00 179.97 180.25 1x89 h PHE 155 N 0.91 -0.03 -0.01 3.04 3.57 -1.22 0.40 116.94 123.60 1x89 h PHE 155 Ca 0.18 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.71 1x89 h PHE 155 Cb 0.43 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 1x89 h PHE 155 CO 0.03 0.10 -0.19 0.77 -2.23 0.00 0.00 178.31 176.78 1x89 h SER 156 N -0.14 -0.56 -0.48 0.41 0.02 -0.99 -0.38 113.55 111.42 1x89 h SER 156 Ca -0.00 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1x89 h SER 156 Cb 0.13 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 1x89 h SER 156 CO 0.00 -0.25 0.23 0.11 -1.14 0.00 0.00 176.83 175.78 1x89 h LYS 157 N -0.30 0.73 0.00 3.45 1.57 0.17 0.19 116.57 122.39 1x89 h LYS 157 Ca 0.06 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1x89 h LYS 157 Cb 0.38 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1x89 h LYS 157 CO -0.19 0.59 0.00 -1.13 -0.57 0.00 0.00 179.45 178.15 1x89 n SER 158 N -4.36 0.49 -1.16 0.86 3.41 0.14 -0.87 113.62 112.12 1x89 n SER 158 Ca 0.04 0.70 0.11 0.00 -0.26 0.00 0.00 58.87 59.47 1x89 n SER 158 Cb 0.14 -0.78 0.24 0.00 -0.26 0.00 0.00 64.21 63.55 1x89 n SER 158 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1x89 n LEU 159 N -2.13 3.55 0.00 1.04 4.77 0.65 -4.92 117.00 119.96 1x89 n LEU 159 Ca -0.00 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.30 1x89 n LEU 159 Cb 0.07 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1x89 n LEU 159 CO 0.10 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1x89 n GLY 160 N 1.46 0.56 3.68 -0.72 0.00 -0.05 -4.55 105.19 105.57 1x89 n GLY 160 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1x89 n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x89 s LEU 161 N 0.00 4.19 0.70 0.99 1.43 -0.99 -4.98 118.68 120.02 1x89 s LEU 161 Ca 0.00 0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 53.76 1x89 s LEU 161 Cb 0.00 -2.75 0.01 0.00 0.03 0.00 0.00 46.19 43.48 1x89 s LEU 161 CO 0.00 -0.14 1.06 -2.16 0.23 0.00 0.00 176.35 175.35 1x89 s PRO 162 N 1.33 2.91 0.65 1.29 0.04 -1.26 -3.50 135.00 136.45 1x89 s PRO 162 Ca 0.26 0.88 0.41 0.00 0.04 0.00 0.00 61.00 62.59 1x89 s PRO 162 Cb -0.15 -1.99 2.27 0.00 0.04 0.00 0.00 34.50 34.66 1x89 s PRO 162 CO 0.10 -1.10 2.34 1.05 0.04 0.00 0.00 177.00 179.43 1x89 h GLU 163 N -0.72 0.00 0.00 4.56 9.09 -1.97 -1.84 114.58 123.71 1x89 h GLU 163 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.97 1x89 h GLU 163 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 1x89 h GLU 163 CO 0.58 0.00 0.00 0.27 0.05 0.00 0.00 179.01 179.91 1x89 n ASN 164 N -3.27 0.00 -0.70 3.06 2.04 -1.26 -2.51 115.26 112.62 1x89 n ASN 164 Ca -0.03 -0.58 0.06 0.00 -0.44 0.00 0.00 54.58 53.59 1x89 n ASN 164 Cb 0.08 -0.13 0.17 0.00 -2.53 0.00 0.00 39.78 37.37 1x89 n ASN 164 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 1x89 n HIS 165 N -1.13 0.53 -5.04 -2.53 8.25 -0.69 -0.26 115.22 114.35 1x89 n HIS 165 Ca 0.19 -0.52 -0.32 0.00 -0.26 0.00 0.00 57.72 56.80 1x89 n HIS 165 Cb 0.16 -0.04 -0.15 0.00 1.12 0.00 0.00 29.99 31.07 1x89 n HIS 165 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1x89 s ILE 166 N -1.10 2.54 0.05 1.59 1.01 -1.04 -2.30 121.20 121.94 1x89 s ILE 166 Ca 0.26 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 60.05 1x89 s ILE 166 Cb 0.14 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 1x89 s ILE 166 CO 0.17 0.56 -0.06 -0.69 0.00 0.00 0.00 174.94 174.91 1x89 s VAL 167 N 0.02 0.46 -0.37 2.92 1.01 0.92 -4.65 120.40 120.70 1x89 s VAL 167 Ca -0.07 -1.31 0.04 0.00 0.00 0.00 0.00 61.98 60.64 1x89 s VAL 167 Cb -0.15 -0.87 0.11 0.00 0.00 0.00 0.00 36.38 35.47 1x89 s VAL 167 CO 0.05 -0.58 0.10 -0.36 0.00 0.00 0.00 175.10 174.31 1x89 s PHE 168 N -2.15 3.44 0.38 5.22 0.40 -1.26 -0.76 117.98 123.25 1x89 s PHE 168 Ca -0.05 -2.92 -0.24 0.00 -0.60 0.00 0.00 56.93 53.12 1x89 s PHE 168 Cb -0.05 -2.78 -0.13 0.00 0.51 0.00 0.00 43.02 40.57 1x89 s PHE 168 CO -0.02 -0.90 0.63 -2.30 0.70 0.00 0.00 175.22 173.33 1x89 n PRO 169 N 4.07 0.66 -2.87 0.24 -0.02 -1.26 -4.92 135.00 130.90 1x89 n PRO 169 Ca 0.04 0.24 -0.41 0.00 -2.02 0.00 0.00 63.50 61.35 1x89 n PRO 169 Cb 0.40 -1.52 -0.04 0.00 -0.02 0.00 0.00 33.50 32.32 1x89 n PRO 169 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1x89 s VAL 170 N -1.36 4.83 0.52 -1.45 -7.23 0.14 -4.69 120.40 111.15 1x89 s VAL 170 Ca 0.63 1.80 -0.22 0.00 -1.81 0.00 0.00 61.98 62.37 1x89 s VAL 170 Cb -0.65 -4.20 -0.06 0.00 0.56 0.00 0.00 36.38 32.04 1x89 s VAL 170 CO 0.58 0.26 1.28 -2.84 -0.31 0.00 0.00 175.10 174.06 1x89 s PRO 171 N 0.54 3.36 0.36 4.82 0.02 -1.26 -0.55 135.00 142.29 1x89 s PRO 171 Ca 0.44 2.03 0.06 0.00 0.02 0.00 0.00 61.00 63.56 1x89 s PRO 171 Cb -0.20 -2.29 -0.03 0.00 0.02 0.00 0.00 34.50 32.00 1x89 s PRO 171 CO 0.24 -0.95 0.23 0.96 -0.33 0.00 0.00 177.00 177.16 1x89 s ILE 172 N -1.41 0.16 -0.01 2.83 -4.36 -1.26 -4.82 121.20 112.33 1x89 s ILE 172 Ca 0.69 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 59.13 1x89 s ILE 172 Cb -0.35 -2.44 -0.07 0.00 1.25 0.00 0.00 42.46 40.85 1x89 s ILE 172 CO 0.42 0.00 0.09 0.47 0.24 0.00 0.00 174.94 176.16 1x89 n ASP 173 N -1.50 3.89 -4.78 4.36 8.00 -1.26 -4.94 116.55 120.33 1x89 n ASP 173 Ca 0.03 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.16 1x89 n ASP 173 Cb 0.63 1.13 -0.05 0.00 -0.02 0.00 0.00 41.12 42.81 1x89 n ASP 173 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1x89 s GLN 174 N -2.30 4.43 0.00 -1.24 1.11 -1.26 -4.49 119.66 115.90 1x89 s GLN 174 Ca -0.02 1.42 0.00 0.00 0.01 0.00 0.00 55.36 56.77 1x89 s GLN 174 Cb 0.03 -2.71 0.00 0.00 -1.01 0.00 0.00 33.01 29.31 1x89 s GLN 174 CO 0.20 0.11 0.00 0.00 0.01 0.00 0.00 175.29 175.61 1x89 n ILE 176 N 0.00 0.00 0.75 0.00 -5.35 -1.26 -4.98 119.36 108.52 1x89 n ILE 176 Ca 0.00 -0.02 0.09 0.00 -0.27 0.00 0.00 62.75 62.55 1x89 n ILE 176 Cb 0.00 -0.23 0.07 0.00 -1.74 0.00 0.00 39.64 37.74 1x89 n ILE 176 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26