#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 3.88 -0.09 8.00 0.01 -1.26 -5.15 113.70 119.09 1x89 s SER 5 Ca 0.00 -0.79 0.02 0.00 1.31 0.00 0.00 55.95 56.49 1x89 s SER 5 Cb 0.00 -0.49 0.01 0.00 0.21 0.00 0.00 66.02 65.75 1x89 s SER 5 CO 0.00 0.08 -0.15 -1.81 0.41 0.00 0.00 173.24 171.76 1x89 s ASP 6 N -3.08 2.27 0.02 2.44 -0.00 -1.26 -5.14 116.67 111.91 1x89 s ASP 6 Ca 0.26 -0.39 0.02 0.00 -0.00 0.00 0.00 52.55 52.43 1x89 s ASP 6 Cb -0.07 -1.03 -0.01 0.00 -0.00 0.00 0.00 42.92 41.81 1x89 s ASP 6 CO 0.14 0.04 -0.06 -0.76 -0.00 0.00 0.00 175.17 174.53 1x89 s LEU 7 N 0.77 2.11 0.24 1.23 1.43 -1.26 -5.08 118.68 118.11 1x89 s LEU 7 Ca -0.12 -0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 52.40 1x89 s LEU 7 Cb -0.16 -0.23 -0.10 0.00 0.03 0.00 0.00 46.19 45.73 1x89 s LEU 7 CO 0.02 -0.05 1.41 -0.63 0.23 0.00 0.00 176.35 177.34 1x89 s ILE 8 N -0.65 2.77 0.55 -0.59 1.01 -1.26 -4.95 121.20 118.09 1x89 s ILE 8 Ca -0.03 0.65 -0.19 0.00 0.00 0.00 0.00 60.65 61.08 1x89 s ILE 8 Cb -0.05 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 1x89 s ILE 8 CO 0.00 0.10 1.15 -2.84 0.00 0.00 0.00 174.94 173.35 1x89 s PRO 9 N -0.31 3.28 0.29 2.79 0.02 -1.26 -4.85 135.00 134.95 1x89 s PRO 9 Ca 0.59 1.66 -0.29 0.00 0.02 0.00 0.00 61.00 62.98 1x89 s PRO 9 Cb -0.41 -1.99 -0.10 0.00 0.02 0.00 0.00 34.50 32.02 1x89 s PRO 9 CO 0.42 -0.92 1.41 0.00 -0.33 0.00 0.00 177.00 177.57 1x89 s ALA 10 N -1.73 3.58 0.70 -1.55 0.00 -1.26 -4.96 121.76 116.54 1x89 s ALA 10 Ca 0.74 1.34 -0.12 0.00 0.00 0.00 0.00 51.96 53.91 1x89 s ALA 10 Cb -0.25 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.34 1x89 s ALA 10 CO 0.28 -0.75 1.08 -1.25 0.00 0.00 0.00 175.76 175.12 1x89 s PRO 11 N -1.02 2.74 0.41 0.00 0.04 -1.26 -4.99 135.00 130.92 1x89 s PRO 11 Ca 0.55 1.15 -0.25 0.00 0.04 0.00 0.00 61.00 62.50 1x89 s PRO 11 Cb -0.42 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.08 1x89 s PRO 11 CO 0.49 -1.27 1.20 -1.25 0.04 0.00 0.00 177.00 176.22 1x89 s PRO 12 N -4.65 3.98 0.38 0.56 0.04 -1.26 -4.85 135.00 129.19 1x89 s PRO 12 Ca 0.62 1.92 0.19 0.00 0.04 0.00 0.00 61.00 63.76 1x89 s PRO 12 Cb -0.17 -2.65 1.03 0.00 0.04 0.00 0.00 34.50 32.75 1x89 s PRO 12 CO 0.50 -0.41 1.52 -0.07 0.04 0.00 0.00 177.00 178.58 1x89 h LEU 13 N 2.55 0.00 -0.44 -3.56 4.07 -1.95 -0.59 115.31 115.39 1x89 h LEU 13 Ca -0.49 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.47 1x89 h LEU 13 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 1x89 h LEU 13 CO 0.62 0.00 0.00 0.77 -1.08 0.00 0.00 178.44 178.75 1x89 h SER 14 N 0.00 0.00 -0.41 -0.43 4.64 -2.03 -2.01 113.55 113.31 1x89 h SER 14 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1x89 h SER 14 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1x89 h SER 14 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1x89 n LYS 15 N -2.72 2.07 -3.99 4.77 5.02 -0.23 -4.76 118.16 118.33 1x89 n LYS 15 Ca 0.03 -1.66 -0.33 0.00 -2.02 0.00 0.00 58.31 54.34 1x89 n LYS 15 Cb 0.40 -1.39 -0.14 0.00 -0.02 0.00 0.00 35.03 33.88 1x89 n LYS 15 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1x89 s VAL 16 N -1.45 2.49 0.87 -0.18 1.01 -0.76 -5.00 120.40 117.38 1x89 s VAL 16 Ca 0.33 -1.88 -0.10 0.00 0.00 0.00 0.00 61.98 60.33 1x89 s VAL 16 Cb 0.17 -2.61 0.12 0.00 0.00 0.00 0.00 36.38 34.06 1x89 s VAL 16 CO 0.23 -0.31 1.13 -2.84 0.00 0.00 0.00 175.10 173.31 1x89 s PRO 17 N 1.07 1.44 -0.11 2.72 0.02 -1.26 -5.02 135.00 133.86 1x89 s PRO 17 Ca 0.00 1.41 -0.01 0.00 0.02 0.00 0.00 61.00 62.43 1x89 s PRO 17 Cb -0.20 -1.79 -0.02 0.00 0.02 0.00 0.00 34.50 32.51 1x89 s PRO 17 CO -0.05 -2.29 -0.09 -1.17 -0.33 0.00 0.00 177.00 173.07 1x89 s LEU 18 N -6.37 3.01 -0.04 -5.54 2.96 -1.26 -4.11 118.68 107.33 1x89 s LEU 18 Ca 0.65 -0.17 -0.30 0.00 -0.22 0.00 0.00 54.13 54.09 1x89 s LEU 18 Cb -0.21 -1.68 -0.07 0.00 0.50 0.00 0.00 46.19 44.74 1x89 s LEU 18 CO 0.57 0.24 1.79 -1.58 -1.32 0.00 0.00 176.35 176.05 1x89 s GLN 19 N -0.06 4.09 0.63 1.98 2.00 0.60 -4.91 119.66 123.98 1x89 s GLN 19 Ca -0.01 2.30 -0.17 0.00 -2.00 0.00 0.00 55.36 55.48 1x89 s GLN 19 Cb -0.14 -4.07 -0.02 0.00 0.80 0.00 0.00 33.01 29.58 1x89 s GLN 19 CO 0.03 -0.98 1.16 -0.65 -0.50 0.00 0.00 175.29 174.35 1x89 s GLN 20 N 4.35 2.86 -1.43 1.67 -1.52 -1.26 -3.54 119.66 120.78 1x89 s GLN 20 Ca 0.80 1.63 -0.06 0.00 -1.95 0.00 0.00 55.36 55.78 1x89 s GLN 20 Cb -0.36 -1.94 0.04 0.00 -0.22 0.00 0.00 33.01 30.54 1x89 s GLN 20 CO 0.34 -1.25 0.76 0.09 -0.25 0.00 0.00 175.29 174.98 1x89 n ASN 21 N -1.98 -2.45 -4.72 5.90 3.02 -1.26 -4.83 115.26 108.94 1x89 n ASN 21 Ca 0.12 -0.85 -0.42 0.00 -0.03 0.00 0.00 54.58 53.39 1x89 n ASN 21 Cb 0.51 -3.72 -0.03 0.00 -0.61 0.00 0.00 39.78 35.93 1x89 n ASN 21 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1x89 n PHE 22 N -4.45 2.74 -3.63 3.10 -0.00 -1.23 -4.97 117.46 109.01 1x89 n PHE 22 Ca -0.15 0.13 -0.39 0.00 -0.00 0.00 0.00 57.45 57.04 1x89 n PHE 22 Cb 0.61 -2.64 -0.10 0.00 -0.00 0.00 0.00 39.48 37.36 1x89 n PHE 22 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1x89 s GLN 23 N 0.57 2.32 0.32 -4.13 -1.52 -1.26 -4.84 119.66 111.11 1x89 s GLN 23 Ca 0.72 -1.81 0.02 0.00 -1.95 0.00 0.00 55.36 52.33 1x89 s GLN 23 Cb -0.52 -3.80 0.58 0.00 -0.22 0.00 0.00 33.01 29.05 1x89 s GLN 23 CO 0.38 -1.15 1.93 0.38 -0.25 0.00 0.00 175.29 176.58 1x89 h ASP 24 N 8.27 0.84 -0.69 5.90 2.03 -2.00 -2.05 116.42 128.71 1x89 h ASP 24 Ca -0.17 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.07 1x89 h ASP 24 Cb 1.06 -0.18 -0.03 0.00 -0.83 0.00 0.00 39.33 39.35 1x89 h ASP 24 CO 0.80 0.55 0.22 -0.55 -1.03 0.00 0.00 179.24 179.22 1x89 h ASN 25 N 0.96 1.01 1.21 4.15 -1.07 -2.00 -2.82 115.58 117.02 1x89 h ASN 25 Ca 0.36 -0.19 0.00 0.00 0.07 0.00 0.00 56.30 56.54 1x89 h ASN 25 Cb 0.18 -0.27 0.00 0.00 -2.07 0.00 0.00 38.32 36.16 1x89 h ASN 25 CO -0.12 0.95 0.00 0.00 0.07 0.00 0.00 177.43 178.32 1x89 n GLN 26 N -4.26 0.21 0.01 4.14 6.02 -0.80 -3.28 117.38 119.43 1x89 n GLN 26 Ca 0.06 0.25 0.12 0.00 -0.01 0.00 0.00 57.00 57.42 1x89 n GLN 26 Cb 0.23 -1.78 0.26 0.00 1.02 0.00 0.00 30.24 29.96 1x89 n GLN 26 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1x89 n PHE 27 N -2.16 0.12 -0.45 1.08 -0.00 -1.06 -4.80 117.46 110.18 1x89 n PHE 27 Ca 0.05 0.03 -0.29 0.00 -0.00 0.00 0.00 57.45 57.24 1x89 n PHE 27 Cb 0.36 -0.36 0.27 0.00 -0.00 0.00 0.00 39.48 39.75 1x89 n PHE 27 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1x89 s GLN 28 N -3.04 -1.69 0.13 -4.13 -0.21 -1.20 -4.81 119.66 104.70 1x89 s GLN 28 Ca 0.10 0.63 0.00 0.00 0.02 0.00 0.00 55.36 56.11 1x89 s GLN 28 Cb 0.17 -1.48 0.00 0.00 1.00 0.00 0.00 33.01 32.70 1x89 s GLN 28 CO 0.69 -4.18 0.00 0.41 -2.12 0.00 0.00 175.29 170.09 1x89 n GLY 29 N 1.10 -1.77 3.80 3.09 0.00 0.52 -4.87 105.19 107.05 1x89 n GLY 29 Ca 0.05 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.06 1.61 2.20 -1.26 -0.99 119.74 125.26 1x89 s LYS 30 Ca 0.00 0.33 0.03 0.00 -0.36 0.00 0.00 55.97 55.97 1x89 s LYS 30 Cb 0.00 -3.30 0.01 0.00 -1.51 0.00 0.00 37.83 33.03 1x89 s LYS 30 CO 0.00 0.52 -0.15 -1.58 -0.36 0.00 0.00 175.35 173.78 1x89 s TRP 31 N -0.48 1.65 0.21 4.03 0.52 -0.12 -4.76 118.94 119.99 1x89 s TRP 31 Ca 0.22 -0.58 -0.14 0.00 0.02 0.00 0.00 56.10 55.62 1x89 s TRP 31 Cb -0.15 -1.16 -0.08 0.00 -1.15 0.00 0.00 33.47 30.93 1x89 s TRP 31 CO 0.10 -0.26 0.61 0.71 0.02 0.00 0.00 176.95 178.14 1x89 s TYR 32 N 0.42 3.53 -0.82 -1.98 2.02 0.76 -1.01 117.35 120.27 1x89 s TYR 32 Ca -0.12 1.10 -0.19 0.00 -0.37 0.00 0.00 57.07 57.50 1x89 s TYR 32 Cb -0.15 -2.42 0.13 0.00 -0.40 0.00 0.00 41.96 39.13 1x89 s TYR 32 CO 0.04 0.32 0.98 0.08 -1.57 0.00 0.00 175.55 175.40 1x89 s VAL 33 N -1.64 4.81 -0.40 0.71 1.01 -0.74 -0.56 120.40 123.58 1x89 s VAL 33 Ca 0.44 -1.42 0.23 0.00 0.00 0.00 0.00 61.98 61.22 1x89 s VAL 33 Cb -0.14 -4.67 0.11 0.00 0.00 0.00 0.00 36.38 31.68 1x89 s VAL 33 CO 0.20 -1.37 1.28 -0.37 0.00 0.00 0.00 175.10 174.84 1x89 h VAL 34 N 5.72 0.00 -3.62 2.92 -1.51 -1.24 -3.41 116.25 115.11 1x89 h VAL 34 Ca 0.01 -0.86 -0.17 0.00 -1.23 0.00 0.00 66.70 64.45 1x89 h VAL 34 Cb 1.04 1.52 -0.23 0.00 -2.13 0.00 0.00 31.29 31.50 1x89 h VAL 34 CO 1.07 0.00 -0.58 -0.83 -1.23 0.00 0.00 177.57 176.00 1x89 s GLY 35 N -4.12 0.05 -0.06 5.19 0.00 -0.89 -3.44 107.32 104.04 1x89 s GLY 35 Ca 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 44.72 44.62 1x89 s GLY 35 CO 0.73 -0.19 0.14 -2.27 0.00 0.00 0.00 173.10 171.51 1x89 s LEU 36 N -0.92 0.70 -0.00 0.66 2.96 0.04 -0.39 118.68 121.72 1x89 s LEU 36 Ca -0.10 0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 54.03 1x89 s LEU 36 Cb -0.06 0.33 0.00 0.00 0.50 0.00 0.00 46.19 46.96 1x89 s LEU 36 CO 0.00 -0.15 0.12 0.00 -1.32 0.00 0.00 176.35 175.00 1x89 s ALA 37 N 1.23 -0.27 0.00 5.97 0.00 -0.67 0.59 121.76 128.60 1x89 s ALA 37 Ca -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1x89 s ALA 37 Cb -0.12 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1x89 s ALA 37 CO -0.06 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1x89 n GLY 38 N 1.75 1.00 0.00 0.00 0.00 -0.97 0.18 105.19 107.16 1x89 n GLY 38 Ca -0.21 -0.93 0.10 0.00 0.00 0.00 0.00 46.02 44.98 1x89 n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x89 n ASN 39 N 0.00 0.00 -0.07 1.61 6.94 -0.81 -2.34 115.26 120.60 1x89 n ASN 39 Ca 0.00 0.39 0.08 0.00 -0.02 0.00 0.00 54.58 55.03 1x89 n ASN 39 Cb 0.00 -0.45 0.11 0.00 -2.36 0.00 0.00 39.78 37.08 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 -1.45 2.21 -2.81 -2.53 0.00 -1.26 -4.63 120.51 110.03 1x89 n ALA 40 Ca 0.06 -2.33 -0.35 0.00 0.00 0.00 0.00 53.44 50.82 1x89 n ALA 40 Cb 0.22 -0.32 -0.10 0.00 0.00 0.00 0.00 19.45 19.26 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 -2.51 4.86 -0.06 0.00 -1.09 -0.99 -5.10 121.20 116.32 1x89 s ILE 41 Ca 0.26 -0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.68 1x89 s ILE 41 Cb 0.23 -3.20 0.02 0.00 -1.58 0.00 0.00 42.46 37.93 1x89 s ILE 41 CO 0.02 0.44 -0.05 -0.76 -1.23 0.00 0.00 174.94 173.37 1x89 s LEU 42 N 0.48 1.23 0.58 2.97 2.01 -1.26 -4.35 118.68 120.34 1x89 s LEU 42 Ca 0.04 -0.16 -0.20 0.00 0.01 0.00 0.00 54.13 53.82 1x89 s LEU 42 Cb -0.12 -0.53 -0.04 0.00 0.01 0.00 0.00 46.19 45.51 1x89 s LEU 42 CO 0.00 -0.07 1.32 -0.60 1.01 0.00 0.00 176.35 178.01 1x89 s ARG 43 N 1.14 2.95 -0.35 1.70 3.52 -0.55 -4.98 118.95 122.37 1x89 s ARG 43 Ca -0.07 2.13 0.04 0.00 -0.13 0.00 0.00 55.73 57.69 1x89 s ARG 43 Cb -0.14 -2.09 0.16 0.00 -1.56 0.00 0.00 34.95 31.32 1x89 s ARG 43 CO -0.01 -1.31 0.46 -2.00 -0.81 0.00 0.00 175.30 171.63 1x89 s GLU 44 N -3.09 0.61 0.61 5.12 2.12 -1.26 -5.01 118.70 117.80 1x89 s GLU 44 Ca 0.76 -0.37 0.34 0.00 0.36 0.00 0.00 54.97 56.06 1x89 s GLU 44 Cb -0.38 -0.37 1.98 0.00 0.26 0.00 0.00 34.13 35.63 1x89 s GLU 44 CO 0.43 -1.14 2.28 -0.44 -0.54 0.00 0.00 175.26 175.85 1x89 h ASP 45 N 7.41 0.00 0.24 -1.70 3.32 -1.99 -1.70 116.42 122.00 1x89 h ASP 45 Ca 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1x89 h ASP 45 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1x89 h ASP 45 CO 0.19 0.01 -0.12 0.11 -1.72 0.00 0.00 179.24 177.72 1x89 h LYS 46 N 0.00 -0.31 -3.09 3.56 6.56 -2.03 -3.38 116.57 117.88 1x89 h LYS 46 Ca -0.00 0.02 -0.71 0.00 -1.06 0.00 0.00 60.65 58.90 1x89 h LYS 46 Cb 0.03 0.07 -0.35 0.00 -0.57 0.00 0.00 32.23 31.41 1x89 h LYS 46 CO 0.00 -0.21 -0.02 -3.47 -2.06 0.00 0.00 179.45 173.69 1x89 n ASP 47 N -4.50 4.50 -4.75 0.86 4.64 -1.14 -5.07 116.55 111.09 1x89 n ASP 47 Ca -0.04 -3.22 -0.38 0.00 -1.38 0.00 0.00 54.79 49.77 1x89 n ASP 47 Cb 0.13 -1.04 0.04 0.00 -1.04 0.00 0.00 41.12 39.21 1x89 n ASP 47 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1x89 s PRO 48 N -1.76 3.15 0.19 -0.67 0.04 -0.65 -4.80 135.00 130.50 1x89 s PRO 48 Ca 0.30 2.12 -0.32 0.00 0.04 0.00 0.00 61.00 63.14 1x89 s PRO 48 Cb -0.02 -2.21 -0.11 0.00 0.04 0.00 0.00 34.50 32.20 1x89 s PRO 48 CO -0.08 -1.15 1.69 -1.14 0.04 0.00 0.00 177.00 176.37 1x89 s GLN 49 N -2.96 4.15 0.24 4.56 2.00 -1.26 -4.92 119.66 121.46 1x89 s GLN 49 Ca 0.72 2.53 -0.14 0.00 -2.00 0.00 0.00 55.36 56.48 1x89 s GLN 49 Cb -0.38 -3.15 -0.08 0.00 0.80 0.00 0.00 33.01 30.21 1x89 s GLN 49 CO 0.44 -0.72 0.63 0.15 -0.50 0.00 0.00 175.29 175.29 1x89 s LYS 50 N 1.33 3.97 0.48 1.67 1.02 -1.26 -1.32 119.74 125.63 1x89 s LYS 50 Ca 0.74 0.53 -0.24 0.00 0.02 0.00 0.00 55.97 57.02 1x89 s LYS 50 Cb -0.48 -2.69 -0.07 0.00 -0.52 0.00 0.00 37.83 34.08 1x89 s LYS 50 CO 0.32 0.32 1.37 1.41 -0.92 0.00 0.00 175.35 177.85 1x89 s MET 51 N -2.54 3.53 0.40 1.68 -2.45 -0.49 -4.69 119.30 114.74 1x89 s MET 51 Ca 0.46 2.27 0.05 0.00 -1.25 0.00 0.00 55.69 57.23 1x89 s MET 51 Cb -0.13 -2.51 -0.02 0.00 1.25 0.00 0.00 34.83 33.43 1x89 s MET 51 CO 0.20 -0.90 0.19 1.52 1.05 0.00 0.00 175.02 177.08 1x89 s TYR 52 N -1.27 1.78 0.10 4.11 1.13 -1.26 -4.71 117.35 117.23 1x89 s TYR 52 Ca 0.64 -1.45 0.03 0.00 -1.41 0.00 0.00 57.07 54.89 1x89 s TYR 52 Cb -0.41 -1.02 -0.04 0.00 -1.10 0.00 0.00 41.96 39.40 1x89 s TYR 52 CO 0.51 -0.51 -0.09 0.00 -2.51 0.00 0.00 175.55 172.94 1x89 s ALA 53 N -3.24 1.11 -0.06 9.51 0.00 -0.96 -1.79 121.76 126.32 1x89 s ALA 53 Ca 0.27 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1x89 s ALA 53 Cb 0.02 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1x89 s ALA 53 CO 0.19 -0.07 -0.08 0.99 0.00 0.00 0.00 175.76 176.78 1x89 s THR 54 N -2.67 0.86 -0.16 0.00 2.01 -0.18 -0.94 115.64 114.56 1x89 s THR 54 Ca 0.07 -0.30 -0.03 0.00 0.31 0.00 0.00 61.69 61.74 1x89 s THR 54 Cb -0.01 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 1x89 s THR 54 CO -0.01 0.30 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.55 1x89 s ILE 55 N 0.89 3.75 -0.26 1.82 1.09 0.24 -0.94 121.20 127.79 1x89 s ILE 55 Ca -0.11 -0.40 -0.06 0.00 -1.10 0.00 0.00 60.65 58.98 1x89 s ILE 55 Cb -0.15 -2.64 -0.00 0.00 -1.06 0.00 0.00 42.46 38.60 1x89 s ILE 55 CO 0.01 0.48 0.04 -0.31 -0.10 0.00 0.00 174.94 175.06 1x89 s TYR 56 N 0.51 3.07 -0.13 3.97 2.02 -0.16 -1.51 117.35 125.12 1x89 s TYR 56 Ca -0.04 -0.86 0.02 0.00 -0.37 0.00 0.00 57.07 55.83 1x89 s TYR 56 Cb -0.14 -2.20 0.00 0.00 -0.40 0.00 0.00 41.96 39.22 1x89 s TYR 56 CO 0.03 -0.52 -0.20 -1.21 -1.57 0.00 0.00 175.55 172.08 1x89 s GLU 57 N 1.51 3.11 -0.12 -0.62 2.02 -0.58 -0.36 118.70 123.67 1x89 s GLU 57 Ca 0.04 -0.82 -0.29 0.00 0.02 0.00 0.00 54.97 53.92 1x89 s GLU 57 Cb -0.16 -2.45 -0.03 0.00 0.10 0.00 0.00 34.13 31.59 1x89 s GLU 57 CO 0.01 0.07 1.45 -0.51 0.02 0.00 0.00 175.26 176.30 1x89 s LEU 58 N 0.62 4.22 0.88 1.80 1.43 -1.26 0.35 118.68 126.72 1x89 s LEU 58 Ca -0.11 1.91 -0.13 0.00 -1.03 0.00 0.00 54.13 54.77 1x89 s LEU 58 Cb -0.16 -3.54 0.14 0.00 0.03 0.00 0.00 46.19 42.67 1x89 s LEU 58 CO 0.03 -0.86 1.24 -0.54 0.23 0.00 0.00 176.35 176.44 1x89 s LYS 59 N 3.79 1.27 0.37 1.70 1.02 0.17 -4.92 119.74 123.15 1x89 s LYS 59 Ca 0.63 -0.25 0.12 0.00 0.02 0.00 0.00 55.97 56.49 1x89 s LYS 59 Cb -0.27 -1.93 0.73 0.00 -0.52 0.00 0.00 37.83 35.84 1x89 s LYS 59 CO 0.22 -2.00 1.84 1.49 -0.92 0.00 0.00 175.35 175.98 1x89 h GLU 60 N -1.31 0.06 -0.07 1.68 4.57 -1.96 -2.01 114.58 115.55 1x89 h GLU 60 Ca -0.45 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1x89 h GLU 60 Cb 1.28 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1x89 h GLU 60 CO 0.50 0.38 0.00 -0.40 -1.18 0.00 0.00 179.01 178.31 1x89 n ASP 61 N -4.14 0.21 0.00 1.04 5.75 -1.26 -4.87 116.55 113.28 1x89 n ASP 61 Ca -0.02 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 1x89 n ASP 61 Cb 0.38 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 1x89 n ASP 61 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1x89 n LYS 62 N -0.39 -0.26 -2.28 0.11 4.76 -0.76 -5.02 118.16 114.32 1x89 n LYS 62 Ca 0.01 0.06 -0.28 0.00 -2.87 0.00 0.00 58.31 55.24 1x89 n LYS 62 Cb 0.04 -3.22 0.03 0.00 -1.84 0.00 0.00 35.03 30.04 1x89 n LYS 62 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1x89 s SER 63 N -2.25 5.67 -0.09 4.39 0.01 -1.26 -4.66 113.70 115.51 1x89 s SER 63 Ca 0.00 0.87 -0.02 0.00 1.31 0.00 0.00 55.95 58.11 1x89 s SER 63 Cb 0.00 -1.85 -0.03 0.00 0.21 0.00 0.00 66.02 64.34 1x89 s SER 63 CO 0.00 -1.06 -0.01 -0.31 0.41 0.00 0.00 173.24 172.27 1x89 s TYR 64 N -3.05 3.13 -0.22 2.43 1.51 -0.42 0.46 117.35 121.19 1x89 s TYR 64 Ca 0.54 0.16 -0.14 0.00 -1.01 0.00 0.00 57.07 56.62 1x89 s TYR 64 Cb -0.11 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.92 1x89 s TYR 64 CO 0.47 0.44 0.32 1.21 -1.11 0.00 0.00 175.55 176.88 1x89 s ASN 65 N -0.84 6.33 -0.16 2.29 3.84 0.15 -1.28 114.94 125.28 1x89 s ASN 65 Ca 0.13 0.38 0.02 0.00 0.21 0.00 0.00 52.86 53.59 1x89 s ASN 65 Cb -0.11 -2.19 0.01 0.00 -0.55 0.00 0.00 41.25 38.41 1x89 s ASN 65 CO 0.02 -0.03 -0.20 -0.69 -2.79 0.00 0.00 177.10 173.40 1x89 s VAL 66 N 1.25 2.13 -0.11 -5.21 1.01 0.59 -1.52 120.40 118.53 1x89 s VAL 66 Ca 0.15 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1x89 s VAL 66 Cb -0.14 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.38 1x89 s VAL 66 CO 0.07 0.54 -0.15 -0.89 0.00 0.00 0.00 175.10 174.67 1x89 s THR 67 N 1.00 1.48 0.01 3.92 2.01 -0.57 -0.17 115.64 123.32 1x89 s THR 67 Ca -0.02 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.38 1x89 s THR 67 Cb -0.15 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 1x89 s THR 67 CO -0.06 0.44 -0.02 -0.44 -0.69 0.00 0.00 174.62 173.85 1x89 s SER 68 N 1.10 4.97 -0.04 3.53 0.01 -0.19 0.80 113.70 123.89 1x89 s SER 68 Ca -0.04 -0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.16 1x89 s SER 68 Cb -0.14 -1.25 0.02 0.00 0.21 0.00 0.00 66.02 64.86 1x89 s SER 68 CO -0.03 0.27 -0.03 0.54 0.41 0.00 0.00 173.24 174.39 1x89 s VAL 69 N -1.09 0.47 0.13 3.43 0.11 -0.11 -1.56 120.40 121.77 1x89 s VAL 69 Ca 0.20 -0.07 0.05 0.00 -2.93 0.00 0.00 61.98 59.22 1x89 s VAL 69 Cb -0.11 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1x89 s VAL 69 CO 0.11 0.21 -0.12 -0.76 -3.33 0.00 0.00 175.10 171.21 1x89 s LEU 70 N 0.99 2.46 -0.31 2.54 1.02 -0.87 -2.28 118.68 122.24 1x89 s LEU 70 Ca -0.10 -0.89 -0.09 0.00 0.02 0.00 0.00 54.13 53.07 1x89 s LEU 70 Cb -0.14 -0.44 -0.01 0.00 0.02 0.00 0.00 46.19 45.63 1x89 s LEU 70 CO -0.01 -0.23 0.14 0.12 0.02 0.00 0.00 176.35 176.39 1x89 s PHE 71 N -2.65 3.17 -0.06 0.29 5.99 -1.26 -1.32 117.98 122.14 1x89 s PHE 71 Ca 0.12 -0.62 -0.04 0.00 0.00 0.00 0.00 56.93 56.39 1x89 s PHE 71 Cb -0.02 -2.34 0.03 0.00 0.00 0.00 0.00 43.02 40.69 1x89 s PHE 71 CO 0.02 -0.47 0.14 0.50 -0.00 0.00 0.00 175.22 175.41 1x89 s ARG 72 N 1.60 0.12 -1.38 10.12 3.52 -0.21 -4.90 118.95 127.82 1x89 s ARG 72 Ca 0.04 0.30 -0.07 0.00 -0.13 0.00 0.00 55.73 55.88 1x89 s ARG 72 Cb -0.17 -0.08 0.03 0.00 -1.56 0.00 0.00 34.95 33.17 1x89 s ARG 72 CO 0.06 -0.11 0.95 1.63 -0.81 0.00 0.00 175.30 177.02 1x89 n LYS 73 N 3.75 -6.08 -0.99 5.12 4.01 -1.26 -1.70 118.16 121.01 1x89 n LYS 73 Ca -0.21 0.69 0.00 0.00 -0.51 0.00 0.00 58.31 58.28 1x89 n LYS 73 Cb 0.54 -5.55 0.00 0.00 -0.51 0.00 0.00 35.03 29.52 1x89 n LYS 73 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1x89 n LYS 74 N -4.57 -1.85 -4.39 1.97 0.00 -1.26 -4.96 118.16 103.10 1x89 n LYS 74 Ca -0.11 0.46 -0.20 0.00 -0.00 0.00 0.00 58.31 58.47 1x89 n LYS 74 Cb 0.60 -4.87 -0.10 0.00 -0.00 0.00 0.00 35.03 30.66 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 -1.86 1.47 -0.23 -1.58 1.02 -0.69 -5.14 119.74 112.73 1x89 s LYS 75 Ca 0.00 -1.75 -0.14 0.00 0.02 0.00 0.00 55.97 54.11 1x89 s LYS 75 Cb 0.00 -0.97 -0.04 0.00 -0.52 0.00 0.00 37.83 36.30 1x89 s LYS 75 CO 0.00 -0.01 0.30 0.00 -0.92 0.00 0.00 175.35 174.72 1x89 s ASP 77 N 1.22 4.60 -0.10 0.00 1.01 -0.43 -4.96 116.67 118.02 1x89 s ASP 77 Ca 0.14 -0.17 -0.01 0.00 0.71 0.00 0.00 52.55 53.21 1x89 s ASP 77 Cb -0.15 -1.73 -0.03 0.00 1.01 0.00 0.00 42.92 42.02 1x89 s ASP 77 CO 0.07 0.17 -0.05 -0.31 0.21 0.00 0.00 175.17 175.27 1x89 s TYR 78 N 0.33 3.01 -0.10 4.23 2.02 -1.26 -2.04 117.35 123.53 1x89 s TYR 78 Ca -0.06 -0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.58 1x89 s TYR 78 Cb -0.15 -1.81 0.01 0.00 -0.40 0.00 0.00 41.96 39.61 1x89 s TYR 78 CO 0.04 0.21 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.50 1x89 s TRP 79 N -0.38 1.91 -0.07 2.71 0.52 -0.60 -4.99 118.94 118.04 1x89 s TRP 79 Ca 0.06 -0.88 0.05 0.00 0.02 0.00 0.00 56.10 55.35 1x89 s TRP 79 Cb -0.12 -1.38 -0.01 0.00 -1.15 0.00 0.00 33.47 30.80 1x89 s TRP 79 CO 0.02 -0.45 -0.23 0.42 0.02 0.00 0.00 176.95 176.73 1x89 s ILE 80 N 0.95 2.26 0.23 2.03 1.01 -1.26 -1.02 121.20 125.40 1x89 s ILE 80 Ca -0.08 -0.99 -0.03 0.00 0.00 0.00 0.00 60.65 59.56 1x89 s ILE 80 Cb -0.15 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 1x89 s ILE 80 CO -0.01 0.57 0.24 -0.13 0.00 0.00 0.00 174.94 175.61 1x89 s ARG 81 N -0.11 1.36 -0.09 2.79 1.81 0.76 -4.99 118.95 120.47 1x89 s ARG 81 Ca -0.04 -1.58 0.04 0.00 -1.72 0.00 0.00 55.73 52.43 1x89 s ARG 81 Cb -0.14 0.33 -0.00 0.00 -0.45 0.00 0.00 34.95 34.69 1x89 s ARG 81 CO 0.04 -0.49 -0.24 0.99 -0.68 0.00 0.00 175.30 174.92 1x89 s THR 82 N -4.02 2.02 -0.20 0.02 2.01 -1.26 -0.30 115.64 113.92 1x89 s THR 82 Ca 0.35 -1.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.28 1x89 s THR 82 Cb 0.04 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 1x89 s THR 82 CO 0.13 0.55 0.02 -0.36 -0.69 0.00 0.00 174.62 174.28 1x89 s PHE 83 N 0.25 3.08 -0.12 4.92 2.99 -0.40 -0.75 117.98 127.95 1x89 s PHE 83 Ca -0.16 -0.34 -0.02 0.00 0.00 0.00 0.00 56.93 56.41 1x89 s PHE 83 Cb -0.17 -2.11 -0.03 0.00 0.00 0.00 0.00 43.02 40.72 1x89 s PHE 83 CO 0.08 -0.18 -0.06 0.14 -0.00 0.00 0.00 175.22 175.20 1x89 s VAL 84 N 0.97 3.76 0.09 -0.44 -7.23 0.27 -1.30 120.40 116.53 1x89 s VAL 84 Ca 0.02 -0.42 -0.36 0.00 -1.81 0.00 0.00 61.98 59.41 1x89 s VAL 84 Cb -0.14 -2.60 -0.17 0.00 0.56 0.00 0.00 36.38 34.02 1x89 s VAL 84 CO 0.02 0.53 1.14 -2.65 -0.31 0.00 0.00 175.10 173.83 1x89 n PRO 85 N 3.09 0.69 0.00 4.82 -0.02 -1.26 -0.63 135.00 141.69 1x89 n PRO 85 Ca -0.18 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1x89 n PRO 85 Cb 0.53 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 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 2.02 1.87 0.14 -1.23 0.00 0.41 -4.67 105.19 103.72 1x89 n GLY 86 Ca 0.18 -1.74 0.01 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 -5.06 1.61 4.64 -1.93 -3.46 113.55 109.35 1x89 h SER 87 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1x89 h SER 87 Cb 0.00 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 61.90 1x89 h SER 87 CO 0.00 0.59 -0.57 0.00 -0.87 0.00 0.00 176.83 175.98 1x89 s GLN 88 N -3.20 0.51 -0.14 4.77 -2.07 -1.26 -5.09 119.66 113.18 1x89 s GLN 88 Ca 0.01 -0.71 -0.38 0.00 -1.82 0.00 0.00 55.36 52.46 1x89 s GLN 88 Cb 0.10 0.20 -0.15 0.00 -1.09 0.00 0.00 33.01 32.07 1x89 s GLN 88 CO 0.75 -0.12 1.69 -2.30 -1.32 0.00 0.00 175.29 173.99 1x89 n PRO 89 N 0.99 1.45 0.00 9.60 -0.02 -1.26 -1.07 135.00 144.69 1x89 n PRO 89 Ca -0.20 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1x89 n PRO 89 Cb 0.57 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1x89 n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x89 n GLY 90 N 3.89 0.59 3.43 -1.23 0.00 -1.26 -4.57 105.19 106.05 1x89 n GLY 90 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.70 1.77 0.11 1.61 2.02 -0.23 -0.26 118.70 123.02 1x89 s GLU 91 Ca 0.00 -1.16 -0.11 0.00 0.02 0.00 0.00 54.97 53.73 1x89 s GLU 91 Cb 0.00 -2.06 0.01 0.00 0.10 0.00 0.00 34.13 32.18 1x89 s GLU 91 CO 0.00 0.49 0.26 -0.06 0.02 0.00 0.00 175.26 175.98 1x89 s PHE 92 N -1.01 0.08 0.34 1.61 0.40 0.13 -0.45 117.98 119.08 1x89 s PHE 92 Ca 0.15 -0.47 0.05 0.00 -0.60 0.00 0.00 56.93 56.06 1x89 s PHE 92 Cb -0.10 0.03 -0.07 0.00 0.51 0.00 0.00 43.02 43.39 1x89 s PHE 92 CO 0.07 -0.61 0.02 -0.08 0.70 0.00 0.00 175.22 175.31 1x89 s THR 93 N -3.86 1.53 -0.14 0.64 -1.32 0.20 -0.38 115.64 112.31 1x89 s THR 93 Ca 0.06 -2.03 -0.21 0.00 -1.21 0.00 0.00 61.69 58.30 1x89 s THR 93 Cb 0.04 -2.79 -0.03 0.00 -1.51 0.00 0.00 72.50 68.21 1x89 s THR 93 CO -0.10 -0.06 0.62 -0.22 -2.21 0.00 0.00 174.62 172.65 1x89 s LEU 94 N -3.55 4.22 0.32 9.08 2.96 -1.26 0.98 118.68 131.43 1x89 s LEU 94 Ca 0.35 0.93 -0.27 0.00 -0.22 0.00 0.00 54.13 54.92 1x89 s LEU 94 Cb 0.08 -2.90 -0.09 0.00 0.50 0.00 0.00 46.19 43.77 1x89 s LEU 94 CO 0.16 -0.17 1.01 -0.83 -1.32 0.00 0.00 176.35 175.19 1x89 s GLY 95 N 0.96 2.89 -1.17 7.98 0.00 0.07 -4.00 107.32 114.07 1x89 s GLY 95 Ca 0.31 0.67 -0.03 0.00 0.00 0.00 0.00 44.72 45.66 1x89 s GLY 95 CO 0.12 1.16 0.99 1.16 0.00 0.00 0.00 173.10 176.54 1x89 n ASN 96 N 0.66 -3.60 -0.25 1.64 6.94 -1.26 -4.61 115.26 114.79 1x89 n ASN 96 Ca 0.02 -0.54 0.05 0.00 -0.02 0.00 0.00 54.58 54.08 1x89 n ASN 96 Cb 0.48 -4.75 0.29 0.00 -2.36 0.00 0.00 39.78 33.44 1x89 n ASN 96 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 1x89 h ILE 97 N -2.05 1.05 -1.04 1.53 2.10 -1.96 -1.97 117.51 115.17 1x89 h ILE 97 Ca -0.54 -0.31 0.27 0.00 1.08 0.00 0.00 64.86 65.36 1x89 h ILE 97 Cb 1.33 0.06 -0.11 0.00 -1.09 0.00 0.00 36.82 37.01 1x89 h ILE 97 CO 0.48 0.17 0.65 0.50 -1.08 0.00 0.00 178.15 178.87 1x89 h LYS 98 N 0.91 0.43 0.00 2.19 3.64 -1.90 0.38 116.57 122.22 1x89 h LYS 98 Ca 0.35 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1x89 h LYS 98 Cb 0.22 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1x89 h LYS 98 CO -0.13 0.28 0.00 -1.13 -2.27 0.00 0.00 179.45 176.21 1x89 n SER 99 N -4.72 0.00 -4.12 4.20 3.41 -0.74 -4.50 113.62 107.16 1x89 n SER 99 Ca 0.26 -0.87 -0.33 0.00 -0.26 0.00 0.00 58.87 57.67 1x89 n SER 99 Cb 0.86 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.66 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 -2.00 3.11 -0.15 7.33 1.51 0.12 -5.09 117.35 122.19 1x89 s TYR 100 Ca 0.20 -1.98 -0.34 0.00 -1.01 0.00 0.00 57.07 53.95 1x89 s TYR 100 Cb 0.09 -1.97 -0.11 0.00 -0.11 0.00 0.00 41.96 39.87 1x89 s TYR 100 CO 0.16 -0.83 1.97 -2.30 -1.11 0.00 0.00 175.55 173.44 1x89 n PRO 101 N 4.54 1.97 -0.68 -1.71 -0.02 -1.26 -2.91 135.00 134.92 1x89 n PRO 101 Ca -0.16 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1x89 n PRO 101 Cb 0.45 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 1x89 n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x89 n GLY 102 N 4.89 0.83 3.56 -1.23 0.00 -1.26 -4.84 105.19 107.15 1x89 n GLY 102 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 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 4.29 -0.01 0.99 2.96 -1.15 0.15 118.68 125.91 1x89 s LEU 103 Ca 0.00 -0.11 0.11 0.00 -0.22 0.00 0.00 54.13 53.92 1x89 s LEU 103 Cb 0.00 -2.29 -0.15 0.00 0.50 0.00 0.00 46.19 44.25 1x89 s LEU 103 CO 0.00 -0.24 0.36 0.35 -1.32 0.00 0.00 176.35 175.50 1x89 n THR 104 N 5.16 0.00 -3.60 3.68 -2.24 -0.00 -4.88 114.28 112.41 1x89 n THR 104 Ca -0.10 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.28 1x89 n THR 104 Cb 0.50 0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 69.27 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 -2.73 -0.45 -0.22 3.42 1.04 -1.20 -4.96 113.70 108.60 1x89 s SER 105 Ca -0.00 0.31 -0.11 0.00 0.48 0.00 0.00 55.95 56.62 1x89 s SER 105 Cb 0.08 0.47 0.08 0.00 0.10 0.00 0.00 66.02 66.75 1x89 s SER 105 CO 0.47 -0.64 0.53 -0.47 0.98 0.00 0.00 173.24 174.12 1x89 s TYR 106 N -1.88 -0.85 -0.01 5.02 6.14 -1.26 -1.37 117.35 123.13 1x89 s TYR 106 Ca -0.08 1.70 0.03 0.00 0.64 0.00 0.00 57.07 59.36 1x89 s TYR 106 Cb -0.01 0.45 -0.00 0.00 0.42 0.00 0.00 41.96 42.81 1x89 s TYR 106 CO 0.03 -0.45 -0.09 -1.17 0.64 0.00 0.00 175.55 174.50 1x89 s LEU 107 N 1.74 1.93 -0.08 6.97 2.96 0.83 -4.13 118.68 128.89 1x89 s LEU 107 Ca -0.09 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 1x89 s LEU 107 Cb -0.08 -0.51 -0.00 0.00 0.50 0.00 0.00 46.19 46.10 1x89 s LEU 107 CO -0.16 0.10 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.04 1x89 s VAL 108 N -0.06 1.99 -0.13 1.68 1.01 0.49 -1.44 120.40 123.94 1x89 s VAL 108 Ca 0.01 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 1x89 s VAL 108 Cb -0.06 -1.71 0.04 0.00 0.00 0.00 0.00 36.38 34.65 1x89 s VAL 108 CO -0.00 0.55 -0.03 -0.60 0.00 0.00 0.00 175.10 175.02 1x89 s ARG 109 N 0.12 1.14 -0.38 2.72 6.06 0.14 -0.69 118.95 128.06 1x89 s ARG 109 Ca -0.12 -0.29 -0.29 0.00 -2.50 0.00 0.00 55.73 52.54 1x89 s ARG 109 Cb -0.16 -1.67 0.01 0.00 0.06 0.00 0.00 34.95 33.19 1x89 s ARG 109 CO 0.06 -0.39 1.36 0.08 -2.50 0.00 0.00 175.30 173.91 1x89 s VAL 110 N 1.77 3.99 -0.05 7.11 1.01 0.64 -1.18 120.40 133.69 1x89 s VAL 110 Ca 0.03 1.06 -0.26 0.00 0.00 0.00 0.00 61.98 62.81 1x89 s VAL 110 Cb -0.14 -4.21 -0.21 0.00 0.00 0.00 0.00 36.38 31.83 1x89 s VAL 110 CO -0.07 -0.67 1.08 0.58 0.00 0.00 0.00 175.10 176.01 1x89 h VAL 111 N 6.28 1.36 -1.99 2.92 2.07 -1.39 0.17 116.25 125.67 1x89 h VAL 111 Ca -0.27 -1.39 -0.00 0.00 0.82 0.00 0.00 66.70 65.86 1x89 h VAL 111 Cb 1.10 2.26 -0.19 0.00 -1.52 0.00 0.00 31.29 32.94 1x89 h VAL 111 CO 1.07 0.35 0.32 -0.94 0.02 0.00 0.00 177.57 178.39 1x89 s SER 112 N -5.75 -0.54 -0.13 0.57 1.04 -1.16 -2.49 113.70 105.23 1x89 s SER 112 Ca -0.16 0.50 -0.30 0.00 0.48 0.00 0.00 55.95 56.47 1x89 s SER 112 Cb 0.00 0.46 0.12 0.00 0.10 0.00 0.00 66.02 66.71 1x89 s SER 112 CO 0.63 -0.57 0.97 0.28 0.98 0.00 0.00 173.24 175.53 1x89 s THR 113 N -1.58 0.00 -0.89 2.02 -1.32 -1.26 -0.20 115.64 112.41 1x89 s THR 113 Ca -0.06 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.51 1x89 s THR 113 Cb -0.00 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.19 1x89 s THR 113 CO 0.04 0.00 1.09 -0.46 -2.21 0.00 0.00 174.62 173.08 1x89 n ASN 114 N 0.57 2.49 0.00 8.08 6.94 -1.11 -5.03 115.26 127.20 1x89 n ASN 114 Ca -0.10 -1.82 0.00 0.00 -0.02 0.00 0.00 54.58 52.63 1x89 n ASN 114 Cb 0.58 -0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 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 0.40 0.00 0.70 -2.53 4.01 -1.25 -4.47 117.16 114.02 1x89 n TYR 115 Ca 0.08 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.91 1x89 n TYR 115 Cb 0.35 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.43 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 0.70 2.22 0.00 7.72 2.04 -1.26 -4.79 115.26 121.88 1x89 n ASN 116 Ca 0.00 -1.61 0.00 0.00 -0.44 0.00 0.00 54.58 52.53 1x89 n ASN 116 Cb 0.00 0.10 0.00 0.00 -2.53 0.00 0.00 39.78 37.35 1x89 n ASN 116 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1x89 n GLN 117 N 0.71 0.00 -3.86 -3.83 10.64 -1.26 -4.76 117.38 115.02 1x89 n GLN 117 Ca 0.09 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.17 1x89 n GLN 117 Cb 0.40 -0.39 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 1x89 n GLN 117 CO 0.00 0.00 0.00 -3.38 -1.83 0.00 0.00 177.06 171.85 1x89 s HIS 118 N -1.00 0.18 0.01 2.61 -3.43 -1.26 -1.22 115.29 111.18 1x89 s HIS 118 Ca 0.00 -0.56 -0.28 0.00 -0.80 0.00 0.00 55.06 53.42 1x89 s HIS 118 Cb 0.00 0.02 0.07 0.00 -1.43 0.00 0.00 32.58 31.24 1x89 s HIS 118 CO 0.00 -0.67 0.67 0.00 -2.00 0.00 0.00 174.74 172.75 1x89 s ALA 119 N -3.90 -1.72 -0.08 -1.38 0.00 -0.04 -2.75 121.76 111.89 1x89 s ALA 119 Ca 0.10 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.14 1x89 s ALA 119 Cb 0.03 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.43 1x89 s ALA 119 CO -0.06 -0.50 -0.12 -1.64 0.00 0.00 0.00 175.76 173.43 1x89 s MET 120 N -2.04 1.82 -0.04 0.00 -1.94 0.72 0.39 119.30 118.20 1x89 s MET 120 Ca -0.06 -0.43 0.04 0.00 -1.71 0.00 0.00 55.69 53.52 1x89 s MET 120 Cb -0.00 -1.57 -0.00 0.00 2.01 0.00 0.00 34.83 35.27 1x89 s MET 120 CO 0.02 -0.04 -0.16 0.08 -0.01 0.00 0.00 175.02 174.91 1x89 s VAL 121 N 0.90 1.35 -0.17 -6.03 1.01 -0.24 -1.41 120.40 115.83 1x89 s VAL 121 Ca -0.10 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 1x89 s VAL 121 Cb -0.15 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 1x89 s VAL 121 CO 0.01 0.39 0.13 0.12 0.00 0.00 0.00 175.10 175.75 1x89 s PHE 122 N 0.11 3.48 -0.00 5.22 2.19 -0.32 -1.34 117.98 127.31 1x89 s PHE 122 Ca -0.05 0.41 0.05 0.00 0.33 0.00 0.00 56.93 57.67 1x89 s PHE 122 Cb -0.12 -2.06 -0.01 0.00 -1.31 0.00 0.00 43.02 39.52 1x89 s PHE 122 CO 0.02 0.48 -0.16 -0.06 1.83 0.00 0.00 175.22 177.33 1x89 s PHE 123 N -0.23 1.41 -0.02 10.12 0.08 0.30 -0.68 117.98 128.95 1x89 s PHE 123 Ca 0.11 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 56.88 1x89 s PHE 123 Cb -0.11 -0.89 0.02 0.00 -0.57 0.00 0.00 43.02 41.47 1x89 s PHE 123 CO 0.01 -0.01 -0.00 0.21 -0.10 0.00 0.00 175.22 175.33 1x89 s LYS 124 N -0.53 0.21 0.09 0.44 2.20 -0.52 -0.75 119.74 120.88 1x89 s LYS 124 Ca 0.06 0.05 -0.03 0.00 -0.36 0.00 0.00 55.97 55.69 1x89 s LYS 124 Cb -0.06 -0.37 -0.03 0.00 -1.51 0.00 0.00 37.83 35.86 1x89 s LYS 124 CO -0.00 -0.09 0.05 -1.59 -0.36 0.00 0.00 175.35 173.35 1x89 s LYS 125 N 0.76 0.79 -0.20 4.03 -2.85 -0.18 -0.12 119.74 121.97 1x89 s LYS 125 Ca -0.07 -1.26 0.01 0.00 -1.00 0.00 0.00 55.97 53.65 1x89 s LYS 125 Cb -0.10 0.25 0.03 0.00 -2.06 0.00 0.00 37.83 35.95 1x89 s LYS 125 CO -0.02 -0.21 -0.15 0.08 0.10 0.00 0.00 175.35 175.16 1x89 s VAL 126 N -3.96 1.94 -0.08 1.79 1.01 -0.47 -0.54 120.40 120.10 1x89 s VAL 126 Ca 0.13 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1x89 s VAL 126 Cb 0.07 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1x89 s VAL 126 CO -0.05 0.34 -0.10 -0.55 0.00 0.00 0.00 175.10 174.73 1x89 s SER 127 N 1.29 1.79 -1.50 3.32 0.15 -0.43 -0.82 113.70 117.50 1x89 s SER 127 Ca 0.01 -0.28 -0.07 0.00 0.70 0.00 0.00 55.95 56.30 1x89 s SER 127 Cb -0.15 -0.79 0.06 0.00 -1.71 0.00 0.00 66.02 63.43 1x89 s SER 127 CO -0.10 -0.02 0.64 0.00 1.20 0.00 0.00 173.24 174.97 1x89 n GLN 128 N 4.14 -3.81 -0.59 5.44 1.13 0.12 -0.69 117.38 123.12 1x89 n GLN 128 Ca -0.20 0.45 0.00 0.00 -1.94 0.00 0.00 57.00 55.31 1x89 n GLN 128 Cb 0.51 -4.91 0.00 0.00 0.11 0.00 0.00 30.24 25.95 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 -2.88 -0.84 -4.86 1.08 3.02 -1.26 -4.98 115.26 104.55 1x89 n ASN 129 Ca -0.15 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.04 1x89 n ASN 129 Cb 0.61 -2.55 -0.06 0.00 -0.61 0.00 0.00 39.78 37.16 1x89 n ASN 129 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1x89 s ARG 130 N -1.10 3.74 -0.39 3.52 0.52 0.13 -5.05 118.95 120.32 1x89 s ARG 130 Ca 0.00 0.19 -0.16 0.00 -0.52 0.00 0.00 55.73 55.24 1x89 s ARG 130 Cb 0.00 -3.15 0.01 0.00 0.52 0.00 0.00 34.95 32.33 1x89 s ARG 130 CO 0.00 0.68 0.41 -2.00 0.02 0.00 0.00 175.30 174.41 1x89 s GLU 131 N -1.32 3.29 0.07 3.54 2.12 -1.26 -1.31 118.70 123.82 1x89 s GLU 131 Ca 0.24 -0.61 0.04 0.00 0.36 0.00 0.00 54.97 55.01 1x89 s GLU 131 Cb -0.15 -3.90 -0.04 0.00 0.26 0.00 0.00 34.13 30.31 1x89 s GLU 131 CO 0.13 -0.72 -0.01 0.71 -0.54 0.00 0.00 175.26 174.83 1x89 s TYR 132 N 2.09 2.99 0.03 5.30 1.51 0.30 -4.67 117.35 124.90 1x89 s TYR 132 Ca 0.12 -0.01 -0.06 0.00 -1.01 0.00 0.00 57.07 56.11 1x89 s TYR 132 Cb -0.17 -1.56 -0.01 0.00 -0.11 0.00 0.00 41.96 40.11 1x89 s TYR 132 CO 0.13 0.47 0.11 -0.59 -1.11 0.00 0.00 175.55 174.56 1x89 s PHE 133 N -1.25 0.15 0.14 2.71 -0.71 -1.26 -1.01 117.98 116.74 1x89 s PHE 133 Ca 0.24 -0.38 -0.14 0.00 -1.04 0.00 0.00 56.93 55.61 1x89 s PHE 133 Cb -0.12 -0.11 0.02 0.00 -1.21 0.00 0.00 43.02 41.61 1x89 s PHE 133 CO 0.16 -0.34 0.38 -1.59 -1.34 0.00 0.00 175.22 172.49 1x89 s LYS 134 N -2.20 1.10 -0.07 1.99 -2.85 0.07 -1.91 119.74 115.87 1x89 s LYS 134 Ca -0.08 -0.83 0.03 0.00 -1.00 0.00 0.00 55.97 54.08 1x89 s LYS 134 Cb -0.03 0.45 0.01 0.00 -2.06 0.00 0.00 37.83 36.19 1x89 s LYS 134 CO -0.03 -0.43 -0.14 0.42 0.10 0.00 0.00 175.35 175.28 1x89 s ILE 135 N -3.84 1.25 -0.07 3.79 1.09 0.13 -0.54 121.20 123.01 1x89 s ILE 135 Ca 0.06 -0.56 0.00 0.00 -1.10 0.00 0.00 60.65 59.06 1x89 s ILE 135 Cb 0.02 -1.12 -0.03 0.00 -1.06 0.00 0.00 42.46 40.26 1x89 s ILE 135 CO -0.09 0.38 -0.05 0.42 -0.10 0.00 0.00 174.94 175.50 1x89 s THR 136 N 0.55 3.86 -0.40 2.92 -4.23 -0.45 -1.67 115.64 116.22 1x89 s THR 136 Ca -0.14 -0.44 -0.12 0.00 -1.18 0.00 0.00 61.69 59.81 1x89 s THR 136 Cb -0.15 -2.60 0.03 0.00 1.34 0.00 0.00 72.50 71.13 1x89 s THR 136 CO 0.04 0.59 0.25 -0.22 -0.54 0.00 0.00 174.62 174.74 1x89 s LEU 137 N -0.87 4.95 -0.05 4.79 2.96 0.47 -1.07 118.68 129.85 1x89 s LEU 137 Ca 0.13 -1.05 -0.13 0.00 -0.22 0.00 0.00 54.13 52.86 1x89 s LEU 137 Cb -0.11 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 1x89 s LEU 137 CO 0.02 -0.44 0.33 -0.31 -1.32 0.00 0.00 176.35 174.63 1x89 s TYR 138 N 1.58 3.66 0.03 5.38 2.02 0.16 -0.70 117.35 129.48 1x89 s TYR 138 Ca 0.03 0.83 0.05 0.00 -0.37 0.00 0.00 57.07 57.61 1x89 s TYR 138 Cb -0.20 -2.23 -0.02 0.00 -0.40 0.00 0.00 41.96 39.12 1x89 s TYR 138 CO 0.07 0.59 -0.16 0.20 -1.57 0.00 0.00 175.55 174.69 1x89 s GLY 139 N -0.79 0.83 0.44 0.71 0.00 0.28 -0.86 107.32 107.93 1x89 s GLY 139 Ca 0.21 -0.82 0.24 0.00 0.00 0.00 0.00 44.72 44.35 1x89 s GLY 139 CO 0.10 -0.76 1.82 3.21 0.00 0.00 0.00 173.10 177.47 1x89 h ARG 140 N 5.16 0.00 -5.94 2.90 -0.00 -1.46 0.22 114.38 115.26 1x89 h ARG 140 Ca -0.38 0.00 -0.61 0.00 -0.50 0.00 0.00 59.98 58.49 1x89 h ARG 140 Cb 1.17 0.00 -0.14 0.00 0.00 0.00 0.00 29.97 31.00 1x89 h ARG 140 CO 0.45 0.22 -0.69 0.95 0.00 0.00 0.00 179.97 180.91 1x89 s THR 141 N -3.62 2.23 -0.70 2.04 -4.23 -1.26 -4.75 115.64 105.35 1x89 s THR 141 Ca 0.01 -2.22 0.19 0.00 -1.18 0.00 0.00 61.69 58.49 1x89 s THR 141 Cb 0.10 -2.61 0.19 0.00 1.34 0.00 0.00 72.50 71.52 1x89 s THR 141 CO 0.64 -0.22 1.59 0.29 -0.54 0.00 0.00 174.62 176.37 1x89 n LYS 142 N -0.77 0.11 -4.73 3.99 5.02 -1.26 -4.69 118.16 115.82 1x89 n LYS 142 Ca -0.05 0.36 -0.30 0.00 -2.02 0.00 0.00 58.31 56.31 1x89 n LYS 142 Cb 0.63 -1.71 -0.14 0.00 -0.02 0.00 0.00 35.03 33.79 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 -3.19 1.66 0.07 1.97 0.41 -1.26 -4.88 118.70 113.48 1x89 s GLU 143 Ca 0.05 -1.19 0.01 0.00 -0.41 0.00 0.00 54.97 53.43 1x89 s GLU 143 Cb 0.09 -1.95 -0.04 0.00 -1.78 0.00 0.00 34.13 30.46 1x89 s GLU 143 CO 0.32 0.49 -0.05 -0.51 -0.49 0.00 0.00 175.26 175.02 1x89 s LEU 144 N -1.51 2.43 0.69 1.80 1.43 -1.26 -4.93 118.68 117.33 1x89 s LEU 144 Ca 0.12 -0.86 -0.16 0.00 -1.03 0.00 0.00 54.13 52.20 1x89 s LEU 144 Cb -0.10 0.00 0.01 0.00 0.03 0.00 0.00 46.19 46.13 1x89 s LEU 144 CO 0.03 -0.43 1.24 0.42 0.23 0.00 0.00 176.35 177.84 1x89 s THR 145 N -3.04 2.23 0.59 5.49 -4.23 -1.26 -4.84 115.64 110.58 1x89 s THR 145 Ca 0.03 0.12 0.30 0.00 -1.18 0.00 0.00 61.69 60.97 1x89 s THR 145 Cb 0.01 -2.86 0.36 0.00 1.34 0.00 0.00 72.50 71.35 1x89 s THR 145 CO -0.05 -0.05 2.23 0.77 -0.54 0.00 0.00 174.62 176.99 1x89 h SER 146 N 0.12 0.00 -0.32 3.99 4.64 -2.00 -0.55 113.55 119.42 1x89 h SER 146 Ca -0.49 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.72 1x89 h SER 146 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1x89 h SER 146 CO 0.51 0.00 -0.24 -0.08 -0.87 0.00 0.00 176.83 176.15 1x89 h GLU 147 N 0.00 0.73 -0.30 4.77 4.81 -2.00 -1.23 114.58 121.36 1x89 h GLU 147 Ca 0.01 -0.36 -0.15 0.00 -0.13 0.00 0.00 59.36 58.73 1x89 h GLU 147 Cb 0.09 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1x89 h GLU 147 CO -0.00 0.97 -0.43 -0.07 -0.73 0.00 0.00 179.01 178.75 1x89 h LEU 148 N 0.49 0.82 -0.28 1.64 3.38 -1.49 -2.13 115.31 117.74 1x89 h LEU 148 Ca 0.06 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1x89 h LEU 148 Cb 0.80 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1x89 h LEU 148 CO 0.06 1.14 0.14 0.11 0.09 0.00 0.00 178.44 179.99 1x89 h LYS 149 N 0.62 0.39 -0.74 1.13 1.57 -1.16 -1.23 116.57 117.15 1x89 h LYS 149 Ca 0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x89 h LYS 149 Cb 0.99 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.19 1x89 h LYS 149 CO 0.09 0.36 0.48 0.93 -0.57 0.00 0.00 179.45 180.75 1x89 h GLU 150 N 0.32 0.99 -0.88 3.15 4.39 -1.18 0.11 114.58 121.49 1x89 h GLU 150 Ca 0.10 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.75 1x89 h GLU 150 Cb 0.09 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.47 1x89 h GLU 150 CO -0.01 0.67 0.58 -0.97 -1.16 0.00 0.00 179.01 178.11 1x89 h ASN 151 N 1.01 0.98 -0.70 1.42 -1.24 -1.09 0.15 115.58 116.11 1x89 h ASN 151 Ca 0.27 -0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.22 1x89 h ASN 151 Cb -0.09 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 38.69 1x89 h ASN 151 CO -0.06 0.70 0.26 0.15 -1.29 0.00 0.00 177.43 177.19 1x89 h PHE 152 N 1.16 1.10 -0.79 0.67 3.04 0.01 -1.45 116.94 120.67 1x89 h PHE 152 Ca 0.33 -0.09 -0.03 0.00 3.98 0.00 0.00 57.97 62.16 1x89 h PHE 152 Cb -0.08 -0.32 -0.04 0.00 2.56 0.00 0.00 35.95 38.07 1x89 h PHE 152 CO -0.01 0.86 0.37 0.82 -2.02 0.00 0.00 178.31 178.32 1x89 h ILE 153 N 1.02 1.25 -0.48 1.41 2.04 -0.13 -1.54 117.51 121.07 1x89 h ILE 153 Ca 0.23 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.32 1x89 h ILE 153 Cb 0.24 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1x89 h ILE 153 CO -0.01 0.30 0.08 0.03 0.00 0.00 0.00 178.15 178.55 1x89 h ARG 154 N 1.12 0.79 -0.59 2.37 3.08 -0.58 -1.24 114.38 119.34 1x89 h ARG 154 Ca 0.27 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 1x89 h ARG 154 Cb 0.14 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1x89 h ARG 154 CO -0.03 0.80 0.06 0.35 -1.07 0.00 0.00 179.97 180.07 1x89 h PHE 155 N 0.66 1.07 -0.26 3.04 3.57 -1.09 0.99 116.94 124.92 1x89 h PHE 155 Ca 0.15 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1x89 h PHE 155 Cb 0.39 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1x89 h PHE 155 CO 0.03 0.94 0.13 0.77 -2.23 0.00 0.00 178.31 177.95 1x89 h SER 156 N 0.89 0.33 -0.43 0.41 0.02 -1.08 -2.17 113.55 111.53 1x89 h SER 156 Ca 0.17 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1x89 h SER 156 Cb 0.48 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1x89 h SER 156 CO 0.02 0.35 0.15 0.11 -1.14 0.00 0.00 176.83 176.32 1x89 h LYS 157 N 0.29 0.72 0.00 3.45 1.57 -1.08 -0.52 116.57 121.00 1x89 h LYS 157 Ca 0.09 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1x89 h LYS 157 Cb 0.10 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1x89 h LYS 157 CO -0.01 0.63 0.00 -1.13 -0.57 0.00 0.00 179.45 178.37 1x89 n SER 158 N -4.32 0.54 -1.22 0.86 3.41 0.33 -1.27 113.62 111.95 1x89 n SER 158 Ca 0.04 0.69 0.09 0.00 -0.26 0.00 0.00 58.87 59.42 1x89 n SER 158 Cb 0.19 -0.79 0.29 0.00 -0.26 0.00 0.00 64.21 63.64 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 -2.16 4.11 0.00 1.04 4.77 -0.23 -4.94 117.00 119.58 1x89 n LEU 159 Ca 0.00 -2.39 0.00 0.00 -0.03 0.00 0.00 56.01 53.59 1x89 n LEU 159 Cb 0.12 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1x89 n LEU 159 CO 0.13 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1x89 n GLY 160 N 0.75 0.61 3.74 -0.72 0.00 -0.40 -4.58 105.19 104.60 1x89 n GLY 160 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 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 4.34 0.71 0.99 1.43 -1.02 -5.00 118.68 120.13 1x89 s LEU 161 Ca 0.00 1.02 -0.05 0.00 -1.03 0.00 0.00 54.13 54.07 1x89 s LEU 161 Cb 0.00 -2.85 0.09 0.00 0.03 0.00 0.00 46.19 43.46 1x89 s LEU 161 CO 0.00 0.03 1.00 -2.16 0.23 0.00 0.00 176.35 175.45 1x89 s PRO 162 N 0.30 1.96 0.28 1.29 0.04 -1.26 -3.91 135.00 133.69 1x89 s PRO 162 Ca 0.30 -0.57 0.01 0.00 0.04 0.00 0.00 61.00 60.77 1x89 s PRO 162 Cb -0.17 -2.23 0.54 0.00 0.04 0.00 0.00 34.50 32.69 1x89 s PRO 162 CO 0.14 -1.33 1.82 1.49 0.04 0.00 0.00 177.00 179.17 1x89 h GLU 163 N -0.58 0.90 0.00 4.56 4.81 -1.98 0.13 114.58 122.43 1x89 h GLU 163 Ca -0.42 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1x89 h GLU 163 Cb 1.29 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1x89 h GLU 163 CO 0.51 0.60 0.00 0.27 -0.73 0.00 0.00 179.01 179.66 1x89 n ASN 164 N -4.66 0.00 -1.15 1.04 6.94 -1.26 -1.29 115.26 114.88 1x89 n ASN 164 Ca 0.18 -0.64 0.08 0.00 -0.02 0.00 0.00 54.58 54.18 1x89 n ASN 164 Cb 0.36 0.00 0.29 0.00 -2.36 0.00 0.00 39.78 38.07 1x89 n ASN 164 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1x89 n HIS 165 N -0.99 1.19 -3.89 -2.53 8.25 0.47 -1.48 115.22 116.24 1x89 n HIS 165 Ca 0.15 -0.78 -0.26 0.00 -0.26 0.00 0.00 57.72 56.57 1x89 n HIS 165 Cb 0.07 -0.32 -0.17 0.00 1.12 0.00 0.00 29.99 30.69 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 -2.52 0.92 0.22 1.59 1.01 -0.41 -2.28 121.20 119.73 1x89 s ILE 166 Ca 0.44 -0.22 0.07 0.00 0.00 0.00 0.00 60.65 60.94 1x89 s ILE 166 Cb 0.33 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.80 1x89 s ILE 166 CO 0.13 0.35 -0.13 0.68 0.00 0.00 0.00 174.94 175.97 1x89 s VAL 167 N 1.74 1.71 -0.32 2.92 -7.23 0.20 -4.84 120.40 114.58 1x89 s VAL 167 Ca 0.05 -2.20 0.02 0.00 -1.81 0.00 0.00 61.98 58.04 1x89 s VAL 167 Cb -0.13 -2.11 0.10 0.00 0.56 0.00 0.00 36.38 34.80 1x89 s VAL 167 CO -0.08 -0.54 0.06 -0.36 -0.31 0.00 0.00 175.10 173.87 1x89 s PHE 168 N -2.99 3.05 0.49 2.82 0.40 -1.26 -0.78 117.98 119.71 1x89 s PHE 168 Ca 0.24 -2.54 -0.23 0.00 -0.60 0.00 0.00 56.93 53.80 1x89 s PHE 168 Cb 0.00 -2.46 -0.07 0.00 0.51 0.00 0.00 43.02 41.00 1x89 s PHE 168 CO 0.08 -0.92 1.29 -2.30 0.70 0.00 0.00 175.22 174.07 1x89 n PRO 169 N 4.46 1.77 -2.49 0.24 -0.02 -1.22 -4.93 135.00 132.81 1x89 n PRO 169 Ca 0.01 0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 61.70 1x89 n PRO 169 Cb 0.42 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 1x89 n PRO 169 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1x89 s VAL 170 N -1.26 4.35 0.35 -1.45 1.01 -0.43 -4.50 120.40 118.46 1x89 s VAL 170 Ca 0.66 1.65 -0.27 0.00 0.00 0.00 0.00 61.98 64.03 1x89 s VAL 170 Cb -0.46 -4.06 -0.12 0.00 0.00 0.00 0.00 36.38 31.74 1x89 s VAL 170 CO 0.54 -0.05 1.12 -2.65 0.00 0.00 0.00 175.10 174.05 1x89 n PRO 171 N 5.68 1.65 -4.21 2.72 -0.02 -1.26 -1.40 135.00 138.16 1x89 n PRO 171 Ca 0.12 0.58 -0.14 0.00 -2.02 0.00 0.00 63.50 62.04 1x89 n PRO 171 Cb 0.46 -2.09 -0.09 0.00 -0.02 0.00 0.00 33.50 31.76 1x89 n PRO 171 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1x89 s ILE 172 N -1.14 0.00 -0.11 4.25 -4.36 -1.26 -4.85 121.20 113.73 1x89 s ILE 172 Ca 0.59 -1.97 0.10 0.00 -0.26 0.00 0.00 60.65 59.11 1x89 s ILE 172 Cb -0.61 -2.49 -0.14 0.00 1.25 0.00 0.00 42.46 40.47 1x89 s ILE 172 CO 0.60 0.00 0.04 0.47 0.24 0.00 0.00 174.94 176.29 1x89 n ASP 173 N -0.64 2.18 -4.78 4.36 8.00 -1.26 -4.87 116.55 119.54 1x89 n ASP 173 Ca 0.03 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.13 1x89 n ASP 173 Cb 0.65 0.79 0.00 0.00 -0.02 0.00 0.00 41.12 42.54 1x89 n ASP 173 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x89 n GLN 174 N -2.42 2.60 0.00 -1.24 3.00 -1.26 -3.80 117.38 114.27 1x89 n GLN 174 Ca -0.18 0.91 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 1x89 n GLN 174 Cb 0.87 -2.68 0.00 0.00 0.00 0.00 0.00 30.24 28.43 1x89 n GLN 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1x89 n ILE 176 N 0.00 0.00 1.51 0.00 -5.35 -1.25 -4.98 119.36 109.29 1x89 n ILE 176 Ca 0.00 -0.36 0.14 0.00 -0.27 0.00 0.00 62.75 62.26 1x89 n ILE 176 Cb 0.00 0.94 0.53 0.00 -1.74 0.00 0.00 39.64 39.37 1x89 n ILE 176 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26