#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk1 s SER 2 N 0.00 4.35 -0.46 1.61 0.01 -1.26 -5.04 113.70 112.90 1wk1 s SER 2 Ca 0.00 -1.71 0.03 0.00 1.31 0.00 0.00 55.95 55.58 1wk1 s SER 2 Cb 0.00 -1.35 0.16 0.00 0.21 0.00 0.00 66.02 65.04 1wk1 s SER 2 CO 0.00 -0.33 0.32 -0.55 0.41 0.00 0.00 173.24 173.10 1wk1 s SER 3 N 1.20 2.85 0.00 2.44 0.15 -1.26 -5.05 113.70 114.03 1wk1 s SER 3 Ca 0.04 -2.97 0.00 0.00 0.70 0.00 0.00 55.95 53.72 1wk1 s SER 3 Cb -0.19 -0.80 0.00 0.00 -1.71 0.00 0.00 66.02 63.32 1wk1 s SER 3 CO -0.11 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1wk1 n GLY 4 N 3.04 2.59 1.28 9.45 0.00 -1.26 -5.11 105.19 115.18 1wk1 n GLY 4 Ca 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wk1 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wk1 n SER 5 N 0.00 0.61 -4.67 1.61 7.64 -1.26 -5.04 113.62 112.51 1wk1 n SER 5 Ca 0.00 0.18 -0.57 0.00 1.01 0.00 0.00 58.87 59.49 1wk1 n SER 5 Cb 0.00 -0.11 -0.07 0.00 -1.01 0.00 0.00 64.21 63.02 1wk1 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wk1 n SER 6 N -3.36 1.85 0.00 6.43 7.64 -1.26 -4.71 113.62 120.22 1wk1 n SER 6 Ca 0.00 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1wk1 n SER 6 Cb 0.08 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 1wk1 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wk1 n GLY 7 N 3.50 0.00 3.67 0.23 0.00 -1.26 -5.09 105.19 106.24 1wk1 n GLY 7 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1wk1 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wk1 s VAL 8 N 0.00 3.09 0.54 1.61 0.11 -1.26 -4.95 120.40 119.54 1wk1 s VAL 8 Ca 0.00 0.34 -0.21 0.00 -2.93 0.00 0.00 61.98 59.18 1wk1 s VAL 8 Cb 0.00 -3.22 -0.05 0.00 -1.53 0.00 0.00 36.38 31.58 1wk1 s VAL 8 CO 0.00 -0.02 1.26 -0.54 -3.33 0.00 0.00 175.10 172.47 1wk1 s LYS 9 N 3.54 3.26 0.24 1.54 1.02 -1.26 -5.02 119.74 123.06 1wk1 s LYS 9 Ca 0.79 1.99 -0.00 0.00 0.02 0.00 0.00 55.97 58.77 1wk1 s LYS 9 Cb -0.40 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 34.67 1wk1 s LYS 9 CO 0.35 -1.02 0.44 -0.06 -0.92 0.00 0.00 175.35 174.13 1wk1 s PHE 10 N -1.45 3.48 -1.49 3.18 0.08 -1.26 -4.33 117.98 116.20 1wk1 s PHE 10 Ca 0.71 0.33 -0.13 0.00 0.12 0.00 0.00 56.93 57.96 1wk1 s PHE 10 Cb -0.34 -1.86 0.10 0.00 -0.57 0.00 0.00 43.02 40.35 1wk1 s PHE 10 CO 0.40 0.31 0.73 1.28 -0.10 0.00 0.00 175.22 177.84 1wk1 n LEU 11 N -1.00 -1.91 -3.83 -0.37 4.77 -0.91 -4.95 117.00 108.80 1wk1 n LEU 11 Ca -0.05 -0.68 -0.15 0.00 -0.03 0.00 0.00 56.01 55.10 1wk1 n LEU 11 Cb 0.55 -2.26 -0.15 0.00 -2.33 0.00 0.00 43.42 39.22 1wk1 n LEU 11 CO 0.48 0.29 -0.37 0.42 -1.33 0.00 0.00 177.39 176.88 1wk1 s THR 12 N -3.14 0.09 -0.18 -5.08 -4.23 -1.26 -5.07 115.64 96.77 1wk1 s THR 12 Ca 0.58 0.08 -0.29 0.00 -1.18 0.00 0.00 61.69 60.87 1wk1 s THR 12 Cb -0.30 -0.17 -0.02 0.00 1.34 0.00 0.00 72.50 73.35 1wk1 s THR 12 CO 0.71 0.09 1.45 -0.69 -0.54 0.00 0.00 174.62 175.65 1wk1 s VAL 13 N 0.70 3.94 -0.45 2.29 1.01 -1.26 -4.50 120.40 122.14 1wk1 s VAL 13 Ca -0.06 1.11 -0.21 0.00 0.00 0.00 0.00 61.98 62.82 1wk1 s VAL 13 Cb -0.09 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.48 1wk1 s VAL 13 CO -0.02 -0.22 0.66 0.20 0.00 0.00 0.00 175.10 175.72 1wk1 s ASN 14 N 3.04 6.32 0.17 3.32 0.01 -1.05 -4.95 114.94 121.80 1wk1 s ASN 14 Ca 0.64 -0.36 -0.16 0.00 -0.71 0.00 0.00 52.86 52.27 1wk1 s ASN 14 Cb -0.24 -2.33 0.14 0.00 0.41 0.00 0.00 41.25 39.23 1wk1 s ASN 14 CO 0.23 -0.81 1.23 0.47 -1.51 0.00 0.00 177.10 176.71 1wk1 n ASP 15 N 6.33 -0.58 -3.22 -1.22 8.00 -1.26 -4.22 116.55 120.38 1wk1 n ASP 15 Ca -0.01 1.39 -0.32 0.00 0.71 0.00 0.00 54.79 56.55 1wk1 n ASP 15 Cb 0.48 -0.29 -0.10 0.00 -0.02 0.00 0.00 41.12 41.18 1wk1 n ASP 15 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1wk1 n ASP 16 N -5.13 0.27 -4.72 -2.24 8.00 -1.26 -4.55 116.55 106.93 1wk1 n ASP 16 Ca 0.07 0.20 -0.42 0.00 0.71 0.00 0.00 54.79 55.35 1wk1 n ASP 16 Cb 0.29 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.70 1wk1 n ASP 16 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1wk1 s ILE 17 N 6.10 4.55 -0.11 0.53 -4.36 -1.26 -4.53 121.20 122.11 1wk1 s ILE 17 Ca 0.96 1.93 -0.13 0.00 -0.26 0.00 0.00 60.65 63.15 1wk1 s ILE 17 Cb -0.94 -4.24 0.03 0.00 1.25 0.00 0.00 42.46 38.56 1wk1 s ILE 17 CO 0.38 0.20 0.36 -0.76 0.24 0.00 0.00 174.94 175.36 1wk1 s LEU 18 N 0.63 0.63 1.03 0.37 1.43 -0.41 -4.64 118.68 117.73 1wk1 s LEU 18 Ca 0.51 0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 54.12 1wk1 s LEU 18 Cb -0.24 1.27 0.19 0.00 0.03 0.00 0.00 46.19 47.45 1wk1 s LEU 18 CO 0.29 -0.19 0.98 -1.54 0.23 0.00 0.00 176.35 176.13 1wk1 n SER 19 N 2.57 -0.76 -0.09 2.29 3.41 -1.26 -3.10 113.62 116.68 1wk1 n SER 19 Ca -0.15 0.17 -0.06 0.00 -0.26 0.00 0.00 58.87 58.57 1wk1 n SER 19 Cb 0.57 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 1wk1 n SER 19 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1wk1 h MET 20 N -2.19 -0.11 0.00 4.33 4.05 -1.81 0.66 114.93 119.86 1wk1 h MET 20 Ca -0.51 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 1wk1 h MET 20 Cb 1.30 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.12 1wk1 h MET 20 CO 0.43 -0.08 0.00 -0.35 0.23 0.00 0.00 176.91 177.15 1wk1 n PRO 21 N -5.35 0.31 -0.06 0.39 -0.04 -1.26 -1.95 135.00 127.05 1wk1 n PRO 21 Ca 0.01 0.09 -0.06 0.00 -0.04 0.00 0.00 63.50 63.50 1wk1 n PRO 21 Cb 0.26 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.13 1wk1 n PRO 21 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1wk1 n GLN 22 N -1.18 2.04 -0.06 0.54 1.13 0.82 -4.39 117.38 116.30 1wk1 n GLN 22 Ca 0.09 -0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 55.06 1wk1 n GLN 22 Cb 0.09 -1.30 -0.08 0.00 0.11 0.00 0.00 30.24 29.07 1wk1 n GLN 22 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wk1 h ALA 23 N 0.56 -0.01 -0.96 -1.58 0.00 0.41 -2.99 119.26 114.69 1wk1 h ALA 23 Ca -0.32 -0.29 0.22 0.00 0.00 0.00 0.00 54.91 54.52 1wk1 h ALA 23 Cb 1.72 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.43 1wk1 h ALA 23 CO 0.02 -0.01 0.62 0.07 0.00 0.00 0.00 179.25 179.94 1wk1 h ARG 24 N -0.99 0.47 -0.19 0.00 0.11 -1.62 0.19 114.38 112.34 1wk1 h ARG 24 Ca -0.00 -0.03 -0.17 0.00 0.10 0.00 0.00 59.98 59.89 1wk1 h ARG 24 Cb 0.58 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 31.55 1wk1 h ARG 24 CO 0.00 0.31 -0.56 -0.97 0.10 0.00 0.00 179.97 178.85 1wk1 h ASN 25 N 0.48 0.66 0.58 0.08 -1.24 -1.77 -3.06 115.58 111.32 1wk1 h ASN 25 Ca 0.52 -0.36 -0.03 0.00 0.71 0.00 0.00 56.30 57.15 1wk1 h ASN 25 Cb 1.20 -0.19 0.01 0.00 0.73 0.00 0.00 38.32 40.06 1wk1 h ASN 25 CO -0.25 1.08 -0.28 0.15 -1.29 0.00 0.00 177.43 176.85 1wk1 h PHE 26 N 0.45 -0.72 -0.92 0.67 3.04 -0.51 -2.04 116.94 116.92 1wk1 h PHE 26 Ca 0.01 -0.02 0.26 0.00 3.98 0.00 0.00 57.97 62.20 1wk1 h PHE 26 Cb 1.11 0.24 -0.16 0.00 2.56 0.00 0.00 35.95 39.70 1wk1 h PHE 26 CO 0.05 -0.45 0.13 0.00 -2.02 0.00 0.00 178.31 176.02 1wk1 h ALA 28 N 1.88 -0.36 -0.83 0.00 0.00 -1.18 0.83 119.26 119.60 1wk1 h ALA 28 Ca 0.58 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.45 1wk1 h ALA 28 Cb 1.20 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1wk1 h ALA 28 CO -0.79 -0.69 0.52 1.03 0.00 0.00 0.00 179.25 179.31 1wk1 h SER 29 N -0.38 0.84 -0.36 0.00 0.87 0.02 -2.48 113.55 112.07 1wk1 h SER 29 Ca -0.04 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 1wk1 h SER 29 Cb 0.29 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1wk1 h SER 29 CO 0.06 0.57 0.05 0.00 -0.53 0.00 0.00 176.83 176.97 1wk1 h ALA 30 N 1.36 0.48 0.00 6.23 0.00 -0.45 -3.47 119.26 123.41 1wk1 h ALA 30 Ca 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1wk1 h ALA 30 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1wk1 h ALA 30 CO -0.14 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1wk1 n GLY 31 N -0.45 0.17 0.00 0.00 0.00 0.41 -4.87 105.19 100.44 1wk1 n GLY 31 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1wk1 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wk1 n GLY 32 N 0.00 1.63 3.38 -0.02 0.00 0.26 -4.76 105.19 105.67 1wk1 n GLY 32 Ca 0.00 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 1wk1 n GLY 32 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1wk1 s TYR 33 N -2.90 -0.38 0.25 1.61 -0.85 -0.25 -1.58 117.35 113.25 1wk1 s TYR 33 Ca 0.00 0.25 -0.28 0.00 -0.52 0.00 0.00 57.07 56.52 1wk1 s TYR 33 Cb 0.00 0.37 -0.15 0.00 0.38 0.00 0.00 41.96 42.56 1wk1 s TYR 33 CO 0.00 -0.71 0.79 1.28 -1.52 0.00 0.00 175.55 175.39 1wk1 n LEU 34 N 0.01 0.42 -4.61 -3.49 4.77 -1.26 0.77 117.00 113.62 1wk1 n LEU 34 Ca -0.17 1.16 -0.43 0.00 -0.03 0.00 0.00 56.01 56.54 1wk1 n LEU 34 Cb 0.63 -1.13 -0.03 0.00 -2.33 0.00 0.00 43.42 40.55 1wk1 n LEU 34 CO 0.17 -2.11 0.91 0.00 -1.33 0.00 0.00 177.39 175.03 1wk1 s ALA 35 N -1.01 3.35 0.58 -1.18 0.00 0.58 -4.54 121.76 119.52 1wk1 s ALA 35 Ca 0.61 -0.35 -0.19 0.00 0.00 0.00 0.00 51.96 52.03 1wk1 s ALA 35 Cb -0.81 -3.70 -0.04 0.00 0.00 0.00 0.00 23.12 18.57 1wk1 s ALA 35 CO 0.58 -1.80 1.17 -0.51 0.00 0.00 0.00 175.76 175.19 1wk1 s ASP 36 N 2.01 5.41 -0.67 0.00 1.01 -1.26 -3.41 116.67 119.76 1wk1 s ASP 36 Ca 0.44 2.27 0.05 0.00 0.71 0.00 0.00 52.55 56.01 1wk1 s ASP 36 Cb -0.10 -2.59 0.25 0.00 1.01 0.00 0.00 42.92 41.49 1wk1 s ASP 36 CO 0.22 -1.44 0.79 0.47 0.21 0.00 0.00 175.17 175.43 1wk1 n ASP 37 N -1.54 3.94 -3.98 0.27 9.92 -1.26 -4.90 116.55 119.01 1wk1 n ASP 37 Ca 0.12 -3.45 -0.30 0.00 -0.53 0.00 0.00 54.79 50.64 1wk1 n ASP 37 Cb 0.50 -0.71 -0.14 0.00 -0.64 0.00 0.00 41.12 40.13 1wk1 n ASP 37 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1wk1 s LEU 38 N -2.50 4.47 0.00 0.64 2.34 -1.26 -4.86 118.68 117.51 1wk1 s LEU 38 Ca 0.39 -2.64 0.00 0.00 0.06 0.00 0.00 54.13 51.94 1wk1 s LEU 38 Cb 0.14 -1.62 0.00 0.00 -0.56 0.00 0.00 46.19 44.15 1wk1 s LEU 38 CO -0.00 -0.30 0.00 0.61 -1.06 0.00 0.00 176.35 175.60 1wk1 n GLY 39 N 3.61 4.09 0.00 -3.48 0.00 -1.26 -4.83 105.19 103.31 1wk1 n GLY 39 Ca 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1wk1 n GLY 39 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wk1 n ASP 40 N 0.00 0.00 -0.36 1.61 5.75 -1.26 0.95 116.55 123.24 1wk1 n ASP 40 Ca 0.00 0.98 0.35 0.00 -0.01 0.00 0.00 54.79 56.11 1wk1 n ASP 40 Cb 0.00 -0.48 0.53 0.00 -1.03 0.00 0.00 41.12 40.14 1wk1 n ASP 40 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1wk1 n ASP 41 N -2.84 0.00 -0.01 -1.12 8.00 -1.26 0.17 116.55 119.49 1wk1 n ASP 41 Ca 0.00 0.79 -0.21 0.00 0.71 0.00 0.00 54.79 56.08 1wk1 n ASP 41 Cb 0.00 -0.32 -0.14 0.00 -0.02 0.00 0.00 41.12 40.64 1wk1 n ASP 41 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1wk1 h LYS 42 N 0.00 0.20 0.13 -1.24 1.63 0.26 -3.30 116.57 114.26 1wk1 h LYS 42 Ca 0.61 -0.35 -0.01 0.00 -0.85 0.00 0.00 60.65 60.05 1wk1 h LYS 42 Cb 3.04 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 34.80 1wk1 h LYS 42 CO -0.01 1.17 -0.06 -0.97 -3.45 0.00 0.00 179.45 176.13 1wk1 h ASN 43 N -0.41 -0.15 -0.47 4.20 -1.24 0.53 -2.85 115.58 115.19 1wk1 h ASN 43 Ca -0.29 -0.39 0.14 0.00 0.71 0.00 0.00 56.30 56.47 1wk1 h ASN 43 Cb 1.67 0.04 -0.02 0.00 0.73 0.00 0.00 38.32 40.74 1wk1 h ASN 43 CO 0.03 0.36 0.58 -0.55 -1.29 0.00 0.00 177.43 176.56 1wk1 h ASN 44 N -0.73 0.00 0.19 1.15 -1.07 -0.27 0.26 115.58 115.10 1wk1 h ASN 44 Ca -0.02 0.00 -0.27 0.00 0.07 0.00 0.00 56.30 56.08 1wk1 h ASN 44 Cb 0.53 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 36.81 1wk1 h ASN 44 CO 0.03 0.00 -1.19 0.15 0.07 0.00 0.00 177.43 176.49 1wk1 h PHE 45 N 0.00 0.83 0.07 4.14 3.57 -1.61 -3.33 116.94 120.60 1wk1 h PHE 45 Ca 0.22 -0.59 -0.00 0.00 3.53 0.00 0.00 57.97 61.13 1wk1 h PHE 45 Cb 1.39 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.08 1wk1 h PHE 45 CO 0.00 1.45 -0.03 1.88 -2.23 0.00 0.00 178.31 179.38 1wk1 h TYR 46 N -0.02 -0.08 -1.08 0.41 0.05 -0.32 -3.09 116.97 112.84 1wk1 h TYR 46 Ca -0.20 -0.00 0.43 0.00 0.05 0.00 0.00 58.73 59.01 1wk1 h TYR 46 Cb 1.92 0.03 -0.17 0.00 1.01 0.00 0.00 36.73 39.52 1wk1 h TYR 46 CO 0.15 0.29 0.61 0.45 -1.05 0.00 0.00 178.16 178.62 1wk1 n SER 47 N -4.95 0.32 0.22 3.88 2.88 -0.25 0.60 113.62 116.33 1wk1 n SER 47 Ca -0.08 1.60 -0.09 0.00 -1.33 0.00 0.00 58.87 58.97 1wk1 n SER 47 Cb 0.22 -0.78 -0.04 0.00 -0.75 0.00 0.00 64.21 62.85 1wk1 n SER 47 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wk1 h SER 48 N 0.00 -0.49 0.37 -3.46 0.87 -1.65 -2.77 113.55 106.42 1wk1 h SER 48 Ca 0.86 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.43 1wk1 h SER 48 Cb 2.37 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 64.46 1wk1 h SER 48 CO -0.71 -0.34 0.00 0.16 -0.53 0.00 0.00 176.83 175.41 1wk1 h ILE 49 N -0.57 0.00 -0.16 2.23 3.07 -1.10 -1.83 117.51 119.16 1wk1 h ILE 49 Ca -0.06 -0.18 -0.02 0.00 1.55 0.00 0.00 64.86 66.15 1wk1 h ILE 49 Cb 0.44 1.11 -0.01 0.00 -0.27 0.00 0.00 36.82 38.08 1wk1 h ILE 49 CO 0.09 0.00 0.03 0.00 -1.05 0.00 0.00 178.15 177.22 1wk1 n ALA 50 N -2.04 2.92 -1.53 0.16 0.00 0.20 -4.83 120.51 115.39 1wk1 n ALA 50 Ca -0.01 -0.51 -0.28 0.00 0.00 0.00 0.00 53.44 52.64 1wk1 n ALA 50 Cb 0.15 -1.05 -0.13 0.00 0.00 0.00 0.00 19.45 18.43 1wk1 n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wk1 n ALA 51 N 0.14 0.65 -3.49 0.00 0.00 -0.69 -0.64 120.51 116.48 1wk1 n ALA 51 Ca 0.08 -0.86 -0.24 0.00 0.00 0.00 0.00 53.44 52.42 1wk1 n ALA 51 Cb 0.54 -2.77 0.06 0.00 0.00 0.00 0.00 19.45 17.28 1wk1 n ALA 51 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wk1 n ASN 52 N 12.42 -6.07 -3.91 0.00 3.02 -1.26 -4.94 115.26 114.53 1wk1 n ASN 52 Ca 0.55 -0.50 -0.22 0.00 -0.03 0.00 0.00 54.58 54.38 1wk1 n ASN 52 Cb 0.28 -4.81 -0.17 0.00 -0.61 0.00 0.00 39.78 34.47 1wk1 n ASN 52 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wk1 s THR 53 N -3.27 0.69 -0.30 3.41 2.01 0.19 -4.69 115.64 113.67 1wk1 s THR 53 Ca 0.52 -0.19 -0.10 0.00 0.31 0.00 0.00 61.69 62.23 1wk1 s THR 53 Cb -0.24 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 1wk1 s THR 53 CO 0.65 0.27 0.16 -1.10 -0.69 0.00 0.00 174.62 173.91 1wk1 s GLN 54 N 1.03 3.50 0.12 4.92 -0.21 -1.26 -2.72 119.66 125.04 1wk1 s GLN 54 Ca -0.09 -0.62 0.04 0.00 0.02 0.00 0.00 55.36 54.72 1wk1 s GLN 54 Cb -0.14 -3.60 -0.04 0.00 1.00 0.00 0.00 33.01 30.23 1wk1 s GLN 54 CO -0.00 -0.36 -0.11 -0.59 -2.12 0.00 0.00 175.29 172.11 1wk1 s PHE 55 N 1.66 1.20 0.97 0.91 -0.71 -1.10 -3.98 117.98 116.93 1wk1 s PHE 55 Ca 0.05 -0.67 -0.12 0.00 -1.04 0.00 0.00 56.93 55.15 1wk1 s PHE 55 Cb -0.17 -0.63 0.17 0.00 -1.21 0.00 0.00 43.02 41.18 1wk1 s PHE 55 CO 0.07 0.06 1.10 -1.58 -1.34 0.00 0.00 175.22 173.53 1wk1 s TRP 56 N -2.68 2.20 0.27 3.49 0.52 0.13 -0.26 118.94 122.61 1wk1 s TRP 56 Ca 0.10 0.98 0.03 0.00 0.02 0.00 0.00 56.10 57.23 1wk1 s TRP 56 Cb -0.01 -3.28 -0.01 0.00 -1.15 0.00 0.00 33.47 29.02 1wk1 s TRP 56 CO 0.01 -2.76 0.30 0.44 0.02 0.00 0.00 176.95 174.96 1wk1 n ILE 57 N -4.08 0.00 0.55 2.03 -5.35 -1.23 -4.38 119.36 106.90 1wk1 n ILE 57 Ca 0.06 -1.68 0.09 0.00 -0.27 0.00 0.00 62.75 60.95 1wk1 n ILE 57 Cb 0.57 0.91 0.39 0.00 -1.74 0.00 0.00 39.64 39.78 1wk1 n ILE 57 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wk1 n GLY 58 N -0.48 -1.16 3.66 3.28 0.00 -1.22 -4.68 105.19 104.59 1wk1 n GLY 58 Ca 0.04 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1wk1 n GLY 58 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wk1 s LEU 59 N -3.39 4.10 -0.14 0.99 2.96 -1.26 -0.82 118.68 121.12 1wk1 s LEU 59 Ca 0.07 1.37 -0.13 0.00 -0.22 0.00 0.00 54.13 55.23 1wk1 s LEU 59 Cb 0.11 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.30 1wk1 s LEU 59 CO 0.34 -0.67 0.38 0.72 -1.32 0.00 0.00 176.35 175.80 1wk1 s PHE 60 N 3.20 -0.43 0.30 5.38 -0.12 -1.10 -2.95 117.98 122.26 1wk1 s PHE 60 Ca 0.44 1.03 -0.28 0.00 -0.05 0.00 0.00 56.93 58.07 1wk1 s PHE 60 Cb -0.15 0.15 -0.09 0.00 -0.63 0.00 0.00 43.02 42.30 1wk1 s PHE 60 CO 0.06 -0.21 1.01 0.21 -0.05 0.00 0.00 175.22 176.25 1wk1 s LYS 61 N 0.29 4.59 0.59 1.99 2.20 -0.41 -1.11 119.74 127.87 1wk1 s LYS 61 Ca -0.01 1.56 0.09 0.00 -0.36 0.00 0.00 55.97 57.25 1wk1 s LYS 61 Cb -0.03 -2.99 0.09 0.00 -1.51 0.00 0.00 37.83 33.38 1wk1 s LYS 61 CO -0.00 0.23 0.73 1.21 -0.36 0.00 0.00 175.35 177.15 1wk1 s ASN 62 N -1.26 4.92 0.11 1.43 2.47 0.41 -4.81 114.94 118.21 1wk1 s ASN 62 Ca 0.48 -1.01 -0.32 0.00 0.42 0.00 0.00 52.86 52.43 1wk1 s ASN 62 Cb -0.25 0.47 -0.11 0.00 -1.45 0.00 0.00 41.25 39.91 1wk1 s ASN 62 CO 0.32 -1.37 1.58 0.28 -3.72 0.00 0.00 177.10 174.20 1wk1 h SER 63 N 0.25 -1.28 -0.95 -4.21 0.02 -1.97 -1.58 113.55 103.83 1wk1 h SER 63 Ca -0.30 0.14 0.26 0.00 -0.84 0.00 0.00 61.79 61.05 1wk1 h SER 63 Cb 1.29 0.48 -0.14 0.00 0.14 0.00 0.00 62.40 64.17 1wk1 h SER 63 CO 0.44 -0.51 0.48 0.44 -1.14 0.00 0.00 176.83 176.54 1wk1 h ASP 64 N -0.69 0.42 0.00 3.07 3.32 -2.04 -3.44 116.42 117.07 1wk1 h ASP 64 Ca 0.01 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1wk1 h ASP 64 Cb 0.70 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1wk1 h ASP 64 CO -0.24 -0.04 0.00 0.61 -1.72 0.00 0.00 179.24 177.85 1wk1 n GLY 65 N -1.32 1.13 3.94 2.75 0.00 -0.59 -5.13 105.19 105.96 1wk1 n GLY 65 Ca 0.26 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 1wk1 n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wk1 s GLN 66 N 0.00 3.47 -0.17 1.61 -0.21 -1.26 -4.75 119.66 118.35 1wk1 s GLN 66 Ca 0.00 -0.49 -0.18 0.00 0.02 0.00 0.00 55.36 54.70 1wk1 s GLN 66 Cb 0.00 -2.90 -0.04 0.00 1.00 0.00 0.00 33.01 31.07 1wk1 s GLN 66 CO 0.00 0.46 0.49 -0.06 -2.12 0.00 0.00 175.29 174.06 1wk1 s PHE 67 N -1.82 3.43 0.30 0.91 0.08 -1.26 -0.44 117.98 119.17 1wk1 s PHE 67 Ca 0.36 0.81 0.01 0.00 0.12 0.00 0.00 56.93 58.24 1wk1 s PHE 67 Cb -0.11 -2.61 0.01 0.00 -0.57 0.00 0.00 43.02 39.74 1wk1 s PHE 67 CO 0.29 0.02 0.11 0.66 -0.10 0.00 0.00 175.22 176.20 1wk1 n TYR 68 N 4.29 -0.12 -5.11 0.36 4.02 -0.27 -0.46 117.16 119.87 1wk1 n TYR 68 Ca -0.06 -1.37 -0.30 0.00 -0.01 0.00 0.00 57.90 56.16 1wk1 n TYR 68 Cb 0.51 -0.22 -0.17 0.00 -0.02 0.00 0.00 39.34 39.44 1wk1 n TYR 68 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1wk1 s TRP 69 N -1.80 2.25 -0.02 -0.72 0.52 0.21 -2.72 118.94 116.66 1wk1 s TRP 69 Ca 0.08 -0.76 -0.30 0.00 0.02 0.00 0.00 56.10 55.14 1wk1 s TRP 69 Cb -0.01 -1.50 -0.06 0.00 -1.15 0.00 0.00 33.47 30.76 1wk1 s TRP 69 CO 0.05 -0.28 1.53 0.34 0.02 0.00 0.00 176.95 178.62 1wk1 s ASP 70 N 0.11 6.74 -0.17 2.95 2.15 0.00 -2.96 116.67 125.49 1wk1 s ASP 70 Ca -0.09 2.20 0.14 0.00 0.43 0.00 0.00 52.55 55.22 1wk1 s ASP 70 Cb -0.15 -2.55 0.40 0.00 -0.30 0.00 0.00 42.92 40.32 1wk1 s ASP 70 CO 0.05 -0.83 1.20 0.54 -0.17 0.00 0.00 175.17 175.96 1wk1 n ARG 71 N 6.14 1.32 0.00 4.34 5.12 -1.26 -4.74 116.66 127.58 1wk1 n ARG 71 Ca 0.15 -3.01 0.00 0.00 -1.93 0.00 0.00 57.85 53.06 1wk1 n ARG 71 Cb 0.43 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.35 1wk1 n ARG 71 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wk1 n GLY 72 N -0.93 -1.40 3.62 -0.13 0.00 -1.26 -4.54 105.19 100.55 1wk1 n GLY 72 Ca 0.17 -2.08 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 1wk1 n GLY 72 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wk1 s GLN 73 N 0.00 4.06 0.00 1.61 0.74 -1.26 -4.31 119.66 120.50 1wk1 s GLN 73 Ca 0.00 0.16 0.00 0.00 0.05 0.00 0.00 55.36 55.57 1wk1 s GLN 73 Cb 0.00 -3.63 0.00 0.00 1.10 0.00 0.00 33.01 30.48 1wk1 s GLN 73 CO 0.00 -0.25 0.00 0.41 -0.55 0.00 0.00 175.29 174.90 1wk1 n GLY 74 N 4.45 1.62 3.49 2.59 0.00 -1.26 -4.99 105.19 111.09 1wk1 n GLY 74 Ca -0.07 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1wk1 n GLY 74 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wk1 n ILE 75 N 0.00 1.93 -2.11 -0.61 2.08 -1.26 -4.84 119.36 114.56 1wk1 n ILE 75 Ca 0.00 -0.50 -0.42 0.00 0.56 0.00 0.00 62.75 62.39 1wk1 n ILE 75 Cb 0.00 -0.65 -0.03 0.00 -0.75 0.00 0.00 39.64 38.21 1wk1 n ILE 75 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1wk1 s ASN 76 N -0.90 6.73 0.87 4.38 -0.87 -1.26 -4.76 114.94 119.13 1wk1 s ASN 76 Ca 0.63 2.11 -0.11 0.00 -1.57 0.00 0.00 52.86 53.92 1wk1 s ASN 76 Cb -0.61 -2.54 0.12 0.00 -0.02 0.00 0.00 41.25 38.20 1wk1 s ASN 76 CO 0.58 -0.88 1.09 -2.16 -2.57 0.00 0.00 177.10 173.16 1wk1 s PRO 77 N 3.86 1.43 -0.09 -0.60 0.04 -1.26 -4.80 135.00 133.59 1wk1 s PRO 77 Ca 0.69 0.88 -0.00 0.00 0.04 0.00 0.00 61.00 62.61 1wk1 s PRO 77 Cb -0.31 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 1wk1 s PRO 77 CO 0.26 -2.14 -0.07 0.34 0.04 0.00 0.00 177.00 175.44 1wk1 s ASP 78 N -3.42 4.63 -0.01 6.66 2.15 -1.16 -4.86 116.67 120.67 1wk1 s ASP 78 Ca 0.63 -0.06 -0.29 0.00 0.43 0.00 0.00 52.55 53.25 1wk1 s ASP 78 Cb -0.18 -1.31 -0.03 0.00 -0.30 0.00 0.00 42.92 41.10 1wk1 s ASP 78 CO 0.57 0.31 0.96 -0.22 -0.17 0.00 0.00 175.17 176.62 1wk1 s LEU 79 N -0.51 4.36 -0.69 -1.34 1.98 -1.26 0.65 118.68 121.87 1wk1 s LEU 79 Ca 0.08 1.62 -0.26 0.00 -2.89 0.00 0.00 54.13 52.68 1wk1 s LEU 79 Cb -0.12 -3.53 -0.08 0.00 0.66 0.00 0.00 46.19 43.12 1wk1 s LEU 79 CO 0.02 -0.26 2.25 -0.22 -1.89 0.00 0.00 176.35 176.24 1wk1 s LEU 80 N 1.06 3.15 -0.19 -0.68 2.96 0.39 -4.71 118.68 120.66 1wk1 s LEU 80 Ca 0.51 0.30 0.13 0.00 -0.22 0.00 0.00 54.13 54.85 1wk1 s LEU 80 Cb -0.21 -2.53 0.39 0.00 0.50 0.00 0.00 46.19 44.34 1wk1 s LEU 80 CO 0.27 -3.14 1.20 -0.46 -1.32 0.00 0.00 176.35 172.90 1wk1 n ASN 81 N 16.09 1.87 -4.81 3.68 6.94 -1.26 -4.93 115.26 132.85 1wk1 n ASN 81 Ca 0.38 -3.69 -0.38 0.00 -0.02 0.00 0.00 54.58 50.88 1wk1 n ASN 81 Cb 0.49 -0.50 -0.06 0.00 -2.36 0.00 0.00 39.78 37.35 1wk1 n ASN 81 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wk1 s GLN 82 N -3.13 4.29 0.33 -3.83 -2.07 -1.26 -4.98 119.66 109.01 1wk1 s GLN 82 Ca 0.36 0.87 0.12 0.00 -1.82 0.00 0.00 55.36 54.89 1wk1 s GLN 82 Cb 0.35 -3.10 0.57 0.00 -1.09 0.00 0.00 33.01 29.74 1wk1 s GLN 82 CO -0.04 0.53 1.73 -1.00 -1.32 0.00 0.00 175.29 175.18 1wk1 h PRO 83 N 4.01 0.00 -5.63 9.60 0.13 -2.03 -3.43 132.00 134.65 1wk1 h PRO 83 Ca -0.48 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.06 1wk1 h PRO 83 Cb 1.20 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 1wk1 h PRO 83 CO 0.65 0.48 -0.26 0.42 -0.23 0.00 0.00 178.00 179.05 1wk1 s ILE 84 N -3.92 5.24 0.20 -3.56 1.01 -1.26 -5.08 121.20 113.84 1wk1 s ILE 84 Ca -0.02 0.69 0.00 0.00 0.00 0.00 0.00 60.65 61.32 1wk1 s ILE 84 Cb 0.14 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 1wk1 s ILE 84 CO 0.74 0.40 0.08 0.42 0.00 0.00 0.00 174.94 176.59 1wk1 s THR 85 N 0.25 0.33 0.00 2.92 -4.23 -1.26 -4.92 115.64 108.74 1wk1 s THR 85 Ca 0.20 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 1wk1 s THR 85 Cb -0.14 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1wk1 s THR 85 CO 0.07 -0.17 0.84 -1.22 -0.54 0.00 0.00 174.62 173.60 1wk1 n TYR 86 N -0.30 0.00 -1.62 3.99 4.01 -1.26 -5.02 117.16 116.96 1wk1 n TYR 86 Ca -0.02 -0.35 -0.60 0.00 -0.16 0.00 0.00 57.90 56.77 1wk1 n TYR 86 Cb 0.65 -0.04 -0.08 0.00 -0.31 0.00 0.00 39.34 39.56 1wk1 n TYR 86 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1wk1 n TRP 87 N -0.35 1.29 -0.27 -0.72 7.02 -1.26 -3.07 117.44 120.08 1wk1 n TRP 87 Ca 0.00 0.95 -0.31 0.00 -1.02 0.00 0.00 57.50 57.12 1wk1 n TRP 87 Cb 0.27 -2.22 0.30 0.00 -2.42 0.00 0.00 31.31 27.24 1wk1 n TRP 87 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wk1 s ALA 88 N 1.41 -0.92 -0.46 6.99 0.00 -0.68 -4.70 121.76 123.40 1wk1 s ALA 88 Ca 0.95 -0.86 -0.26 0.00 0.00 0.00 0.00 51.96 51.78 1wk1 s ALA 88 Cb -1.26 -2.92 -0.07 0.00 0.00 0.00 0.00 23.12 18.87 1wk1 s ALA 88 CO 0.64 -4.80 2.40 0.27 0.00 0.00 0.00 175.76 174.27 1wk1 n ASN 89 N -5.82 2.40 0.00 0.00 6.94 -1.26 -1.15 115.26 116.36 1wk1 n ASN 89 Ca 0.14 -0.40 0.00 0.00 -0.02 0.00 0.00 54.58 54.29 1wk1 n ASN 89 Cb 0.61 -1.57 0.00 0.00 -2.36 0.00 0.00 39.78 36.46 1wk1 n ASN 89 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1wk1 n GLY 90 N 5.99 2.39 3.72 4.83 0.00 -1.26 -5.07 105.19 115.80 1wk1 n GLY 90 Ca 0.37 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 1wk1 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wk1 s GLU 91 N -0.03 2.20 0.76 1.61 0.41 -0.30 -4.45 118.70 118.90 1wk1 s GLU 91 Ca 0.00 1.77 -0.11 0.00 -0.41 0.00 0.00 54.97 56.22 1wk1 s GLU 91 Cb 0.00 -1.84 0.05 0.00 -1.78 0.00 0.00 34.13 30.56 1wk1 s GLU 91 CO 0.00 -1.79 1.09 -1.25 -0.49 0.00 0.00 175.26 172.82 1wk1 s PRO 92 N -3.86 2.30 0.50 0.39 0.04 -1.26 -4.55 135.00 128.55 1wk1 s PRO 92 Ca 0.75 1.19 -0.07 0.00 0.04 0.00 0.00 61.00 62.90 1wk1 s PRO 92 Cb -0.29 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1wk1 s PRO 92 CO 0.44 -1.62 0.84 0.45 0.04 0.00 0.00 177.00 177.16 1wk1 s SER 93 N -3.32 6.29 -0.43 6.66 0.15 -1.26 -5.00 113.70 116.79 1wk1 s SER 93 Ca 0.62 1.07 0.05 0.00 0.70 0.00 0.00 55.95 58.38 1wk1 s SER 93 Cb -0.17 -2.31 0.53 0.00 -1.71 0.00 0.00 66.02 62.36 1wk1 s SER 93 CO 0.55 -0.62 1.69 0.59 1.20 0.00 0.00 173.24 176.64 1wk1 n ASN 94 N -2.26 4.43 -4.79 5.45 3.02 -1.26 -4.99 115.26 114.87 1wk1 n ASN 94 Ca 0.02 -3.74 -0.38 0.00 -0.03 0.00 0.00 54.58 50.45 1wk1 n ASN 94 Cb 0.55 -0.73 -0.06 0.00 -0.61 0.00 0.00 39.78 38.92 1wk1 n ASN 94 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1wk1 s ASP 95 N -2.19 6.81 0.40 6.41 1.01 -1.26 -4.98 116.67 122.87 1wk1 s ASP 95 Ca 0.54 0.97 0.19 0.00 0.71 0.00 0.00 52.55 54.95 1wk1 s ASP 95 Cb 0.45 -2.29 0.83 0.00 1.01 0.00 0.00 42.92 42.93 1wk1 s ASP 95 CO 0.03 0.19 1.82 1.55 0.21 0.00 0.00 175.17 178.97 1wk1 h PRO 96 N 5.43 0.00 0.05 8.23 0.13 -2.04 -3.00 132.00 140.80 1wk1 h PRO 96 Ca -0.47 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.43 1wk1 h PRO 96 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1wk1 h PRO 96 CO 0.67 0.33 -1.05 1.79 -0.23 0.00 0.00 178.00 179.51 1wk1 h THR 97 N 0.00 1.58 -3.64 1.56 1.35 -1.98 -3.42 112.91 108.35 1wk1 h THR 97 Ca -0.00 -3.07 -0.67 0.00 -0.55 0.00 0.00 66.41 62.12 1wk1 h THR 97 Cb 0.74 2.78 -0.17 0.00 -1.73 0.00 0.00 68.15 69.76 1wk1 h THR 97 CO 0.04 0.89 -0.27 -0.13 -0.25 0.00 0.00 175.52 175.80 1wk1 s ARG 98 N -2.83 3.48 0.00 4.72 0.52 -1.13 -3.94 118.95 119.77 1wk1 s ARG 98 Ca -0.02 -0.48 0.00 0.00 -0.52 0.00 0.00 55.73 54.71 1wk1 s ARG 98 Cb 0.09 -3.83 0.00 0.00 0.52 0.00 0.00 34.95 31.73 1wk1 s ARG 98 CO 0.84 -0.58 0.00 1.04 0.02 0.00 0.00 175.30 176.62 1wk1 n GLN 99 N 5.42 1.36 -2.41 3.54 6.02 -1.14 -4.53 117.38 125.63 1wk1 n GLN 99 Ca -0.09 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.63 1wk1 n GLN 99 Cb 0.49 -0.85 0.02 0.00 1.02 0.00 0.00 30.24 30.92 1wk1 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wk1 s VAL 101 N -2.93 1.55 -0.03 0.00 1.01 -1.15 -0.33 120.40 118.51 1wk1 s VAL 101 Ca 0.52 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1wk1 s VAL 101 Cb -0.10 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1wk1 s VAL 101 CO 0.46 0.44 -0.11 -0.72 0.00 0.00 0.00 175.10 175.17 1wk1 s TYR 102 N -0.36 1.16 0.08 5.22 -0.85 -0.57 -3.48 117.35 118.55 1wk1 s TYR 102 Ca 0.05 -0.30 -0.31 0.00 -0.52 0.00 0.00 57.07 55.99 1wk1 s TYR 102 Cb -0.08 -0.81 -0.09 0.00 0.38 0.00 0.00 41.96 41.36 1wk1 s TYR 102 CO -0.00 -0.12 1.72 0.12 -1.52 0.00 0.00 175.55 175.75 1wk1 s PHE 103 N 0.15 2.29 -0.77 -3.49 2.19 0.64 -3.43 117.98 115.57 1wk1 s PHE 103 Ca -0.03 0.19 -0.17 0.00 0.33 0.00 0.00 56.93 57.25 1wk1 s PHE 103 Cb -0.09 -4.04 0.16 0.00 -1.31 0.00 0.00 43.02 37.74 1wk1 s PHE 103 CO 0.01 -4.23 0.82 0.34 1.83 0.00 0.00 175.22 173.99 1wk1 s ASP 104 N 2.58 6.53 0.13 6.13 -1.08 0.47 -2.71 116.67 128.71 1wk1 s ASP 104 Ca 0.76 -2.12 -0.15 0.00 -0.52 0.00 0.00 52.55 50.53 1wk1 s ASP 104 Cb -0.42 -2.28 -0.01 0.00 -1.46 0.00 0.00 42.92 38.75 1wk1 s ASP 104 CO 0.34 -0.87 1.61 1.23 0.52 0.00 0.00 175.17 178.00 1wk1 h GLY 105 N 9.13 0.71 0.37 2.66 0.00 -1.69 -2.97 103.07 111.29 1wk1 h GLY 105 Ca -0.02 -0.47 0.13 0.00 0.00 0.00 0.00 47.33 46.97 1wk1 h GLY 105 CO 0.96 0.43 0.55 3.21 0.00 0.00 0.00 176.54 181.69 1wk1 h ARG 106 N 0.51 0.80 -5.38 4.80 3.08 -1.79 -3.37 114.38 113.03 1wk1 h ARG 106 Ca 0.12 -0.05 -0.53 0.00 0.07 0.00 0.00 59.98 59.59 1wk1 h ARG 106 Cb 0.35 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 1wk1 h ARG 106 CO 0.01 0.53 1.65 0.45 -1.07 0.00 0.00 179.97 181.53 1wk1 n SER 107 N -4.73 1.13 -0.33 7.04 2.88 -1.12 -4.76 113.62 113.73 1wk1 n SER 107 Ca 0.18 0.06 0.23 0.00 -1.33 0.00 0.00 58.87 58.01 1wk1 n SER 107 Cb 0.39 -1.15 0.46 0.00 -0.75 0.00 0.00 64.21 63.16 1wk1 n SER 107 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1wk1 h GLY 108 N 13.90 2.01 -6.92 0.46 0.00 -1.88 -3.34 103.07 107.29 1wk1 h GLY 108 Ca -0.14 -0.22 -0.56 0.00 0.00 0.00 0.00 47.33 46.41 1wk1 h GLY 108 CO 1.25 -0.47 0.93 0.99 0.00 0.00 0.00 176.54 179.24 1wk1 s ASP 109 N -4.93 6.48 0.64 0.19 1.01 -1.26 -4.87 116.67 113.94 1wk1 s ASP 109 Ca -0.10 0.15 0.42 0.00 0.71 0.00 0.00 52.55 53.73 1wk1 s ASP 109 Cb 0.30 -2.54 2.23 0.00 1.01 0.00 0.00 42.92 43.92 1wk1 s ASP 109 CO 0.79 -1.40 2.31 0.07 0.21 0.00 0.00 175.17 177.14 1wk1 h LYS 110 N 9.45 0.00 -0.00 8.23 2.10 -1.95 0.11 116.57 134.51 1wk1 h LYS 110 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 1wk1 h LYS 110 Cb 1.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 1wk1 h LYS 110 CO 1.16 0.00 -0.17 -1.13 -2.00 0.00 0.00 179.45 177.31 1wk1 n SER 111 N -3.14 0.47 -1.81 7.07 3.41 -1.26 -3.73 113.62 114.63 1wk1 n SER 111 Ca -0.02 -0.40 -0.08 0.00 -0.26 0.00 0.00 58.87 58.10 1wk1 n SER 111 Cb 0.11 -0.06 0.07 0.00 -0.26 0.00 0.00 64.21 64.07 1wk1 n SER 111 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wk1 n LYS 112 N -1.09 2.26 0.03 4.33 5.02 0.36 -4.24 118.16 124.83 1wk1 n LYS 112 Ca 0.12 -3.54 -0.08 0.00 -2.02 0.00 0.00 58.31 52.78 1wk1 n LYS 112 Cb 0.30 -1.68 -0.13 0.00 -0.02 0.00 0.00 35.03 33.50 1wk1 n LYS 112 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1wk1 h VAL 113 N 3.31 1.40 -2.76 -0.18 -1.51 -1.60 -3.40 116.25 111.51 1wk1 h VAL 113 Ca 0.09 -3.15 -0.52 0.00 -1.23 0.00 0.00 66.70 61.88 1wk1 h VAL 113 Cb 1.40 2.70 0.04 0.00 -2.13 0.00 0.00 31.29 33.30 1wk1 h VAL 113 CO 0.37 0.80 0.93 0.26 -1.23 0.00 0.00 177.57 178.71 1wk1 s TRP 114 N -2.67 2.90 -0.17 5.19 0.52 -1.17 -0.39 118.94 123.15 1wk1 s TRP 114 Ca -0.01 0.49 -0.12 0.00 0.02 0.00 0.00 56.10 56.48 1wk1 s TRP 114 Cb 0.09 -3.99 0.05 0.00 -1.15 0.00 0.00 33.47 28.47 1wk1 s TRP 114 CO 0.82 -3.74 0.43 0.99 0.02 0.00 0.00 176.95 175.47 1wk1 s THR 115 N 1.42 -0.01 0.03 2.01 2.01 -1.22 -1.69 115.64 118.18 1wk1 s THR 115 Ca 0.72 0.05 -0.21 0.00 0.31 0.00 0.00 61.69 62.56 1wk1 s THR 115 Cb -0.45 -0.61 -0.06 0.00 0.01 0.00 0.00 72.50 71.39 1wk1 s THR 115 CO 0.32 0.02 0.63 0.42 -0.69 0.00 0.00 174.62 175.32 1wk1 s THR 116 N 0.88 4.81 0.24 -0.82 -4.23 -1.26 -1.51 115.64 113.75 1wk1 s THR 116 Ca -0.05 1.33 -0.11 0.00 -1.18 0.00 0.00 61.69 61.68 1wk1 s THR 116 Cb -0.06 -3.97 -0.01 0.00 1.34 0.00 0.00 72.50 69.80 1wk1 s THR 116 CO -0.07 0.45 0.42 -1.81 -0.54 0.00 0.00 174.62 173.06 1wk1 s ASP 117 N -0.43 -0.03 0.45 3.99 1.11 0.56 -4.91 116.67 117.40 1wk1 s ASP 117 Ca 0.32 -1.02 -0.25 0.00 0.18 0.00 0.00 52.55 51.78 1wk1 s ASP 117 Cb -0.19 0.55 -0.08 0.00 1.07 0.00 0.00 42.92 44.27 1wk1 s ASP 117 CO 0.19 -1.09 1.38 0.28 1.18 0.00 0.00 175.17 177.11 1wk1 s THR 118 N -4.02 2.24 -0.17 -1.27 -1.32 -1.25 -2.48 115.64 107.36 1wk1 s THR 118 Ca 0.25 0.21 0.01 0.00 -1.21 0.00 0.00 61.69 60.96 1wk1 s THR 118 Cb 0.01 -3.12 0.18 0.00 -1.51 0.00 0.00 72.50 68.05 1wk1 s THR 118 CO 0.10 0.03 1.20 0.00 -2.21 0.00 0.00 174.62 173.74 1wk1 n ALA 120 N 0.08 1.94 -1.72 0.00 0.00 -1.26 -3.75 120.51 115.80 1wk1 n ALA 120 Ca 0.15 -0.15 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1wk1 n ALA 120 Cb 0.78 0.21 -0.03 0.00 0.00 0.00 0.00 19.45 20.41 1wk1 n ALA 120 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wk1 s THR 121 N -2.05 2.76 -0.29 0.00 2.01 -1.23 -4.57 115.64 112.27 1wk1 s THR 121 Ca -0.01 0.09 -0.29 0.00 0.31 0.00 0.00 61.69 61.79 1wk1 s THR 121 Cb 0.01 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 1wk1 s THR 121 CO 0.09 -0.00 1.65 -2.16 -0.69 0.00 0.00 174.62 173.51 1wk1 s PRO 122 N 3.35 3.60 0.04 4.92 0.04 -1.26 -4.23 135.00 141.46 1wk1 s PRO 122 Ca 0.83 1.48 -0.01 0.00 0.04 0.00 0.00 61.00 63.33 1wk1 s PRO 122 Cb -0.44 -4.09 -0.03 0.00 0.04 0.00 0.00 34.50 29.98 1wk1 s PRO 122 CO 0.38 -1.53 -0.01 1.03 0.04 0.00 0.00 177.00 176.90 1wk1 s ARG 123 N 5.06 0.55 0.82 4.56 0.52 -1.18 -4.63 118.95 124.65 1wk1 s ARG 123 Ca 0.73 -1.03 -0.11 0.00 -0.52 0.00 0.00 55.73 54.80 1wk1 s ARG 123 Cb -0.22 0.19 0.08 0.00 0.52 0.00 0.00 34.95 35.52 1wk1 s ARG 123 CO 0.31 -0.10 1.09 -1.25 0.02 0.00 0.00 175.30 175.37 1wk1 s PRO 124 N -3.25 1.90 0.29 3.54 0.04 -1.26 -1.28 135.00 134.99 1wk1 s PRO 124 Ca 0.01 1.05 0.03 0.00 0.04 0.00 0.00 61.00 62.12 1wk1 s PRO 124 Cb 0.03 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.70 1wk1 s PRO 124 CO -0.08 -1.86 0.33 1.97 0.04 0.00 0.00 177.00 177.40 1wk1 n PHE 125 N -3.65 -0.98 -3.71 0.56 -1.74 -1.26 0.18 117.46 106.86 1wk1 n PHE 125 Ca 0.08 -2.23 -0.21 0.00 -0.56 0.00 0.00 57.45 54.53 1wk1 n PHE 125 Cb 0.54 0.36 -0.18 0.00 1.52 0.00 0.00 39.48 41.72 1wk1 n PHE 125 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 1wk1 s ILE 126 N -2.97 0.10 0.19 1.97 1.01 -1.26 -2.53 121.20 117.70 1wk1 s ILE 126 Ca 0.30 0.29 -0.15 0.00 0.00 0.00 0.00 60.65 61.09 1wk1 s ILE 126 Cb 0.00 -0.32 -0.07 0.00 0.01 0.00 0.00 42.46 42.08 1wk1 s ILE 126 CO 0.21 0.21 0.60 0.00 0.00 0.00 0.00 174.94 175.96 1wk1 s GLN 128 N -2.13 0.39 0.09 0.00 0.74 0.23 -2.15 119.66 116.83 1wk1 s GLN 128 Ca 0.41 -0.64 0.01 0.00 0.05 0.00 0.00 55.36 55.20 1wk1 s GLN 128 Cb -0.15 -0.07 -0.04 0.00 1.10 0.00 0.00 33.01 33.86 1wk1 s GLN 128 CO 0.20 -0.00 0.21 -1.59 -0.55 0.00 0.00 175.29 173.56 1wk1 s LYS 129 N -1.42 3.36 0.65 1.67 -2.85 -1.26 -1.08 119.74 118.81 1wk1 s LYS 129 Ca -0.13 -0.52 -0.17 0.00 -1.00 0.00 0.00 55.97 54.15 1wk1 s LYS 129 Cb -0.09 -2.97 -0.07 0.00 -2.06 0.00 0.00 37.83 32.63 1wk1 s LYS 129 CO -0.00 0.58 0.42 0.72 0.10 0.00 0.00 175.35 177.17 1wk1 n HIS 130 N 0.06 -1.10 -0.59 1.78 8.25 -1.26 -4.83 115.22 117.53 1wk1 n HIS 130 Ca -0.06 0.38 -0.14 0.00 -0.26 0.00 0.00 57.72 57.64 1wk1 n HIS 130 Cb 0.52 -1.89 0.05 0.00 1.12 0.00 0.00 29.99 29.79 1wk1 n HIS 130 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1wk1 n ARG 131 N -0.15 1.70 -3.10 -0.41 1.74 -1.26 -4.92 116.66 110.26 1wk1 n ARG 131 Ca 0.10 -1.46 -0.39 0.00 -0.77 0.00 0.00 57.85 55.33 1wk1 n ARG 131 Cb 0.49 -1.57 -0.06 0.00 -1.02 0.00 0.00 32.46 30.30 1wk1 n ARG 131 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1wk1 s TYR 132 N -1.66 3.84 0.16 -1.55 5.04 -1.26 -5.07 117.35 116.85 1wk1 s TYR 132 Ca 0.28 1.46 -0.01 0.00 -2.44 0.00 0.00 57.07 56.36 1wk1 s TYR 132 Cb 0.23 -2.66 -0.04 0.00 0.35 0.00 0.00 41.96 39.84 1wk1 s TYR 132 CO 0.01 0.51 0.09 0.34 -1.34 0.00 0.00 175.55 175.17 1wk1 s ASP 133 N -0.98 0.24 0.00 4.32 2.15 -1.26 -5.16 116.67 115.98 1wk1 s ASP 133 Ca 0.33 -1.28 -0.00 0.00 0.43 0.00 0.00 52.55 52.03 1wk1 s ASP 133 Cb -0.21 0.33 -0.04 0.00 -0.30 0.00 0.00 42.92 42.70 1wk1 s ASP 133 CO 0.23 -0.78 0.08 -0.55 -0.17 0.00 0.00 175.17 173.98 1wk1 s SER 134 N -3.09 5.69 0.20 -0.34 0.15 -1.26 -5.01 113.70 110.04 1wk1 s SER 134 Ca 0.30 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1wk1 s SER 134 Cb 0.07 -1.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 1wk1 s SER 134 CO 0.06 0.27 0.00 -0.67 1.20 0.00 0.00 173.24 174.10 1wk1 n ASP 135 N 1.13 0.37 -4.73 5.45 2.03 -1.26 -5.11 116.55 114.43 1wk1 n ASP 135 Ca -0.13 0.32 -0.27 0.00 0.52 0.00 0.00 54.79 55.23 1wk1 n ASP 135 Cb 0.53 0.08 -0.07 0.00 -0.72 0.00 0.00 41.12 40.94 1wk1 n ASP 135 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1wk1 s HIS 136 N -2.00 3.02 -0.60 -0.67 2.46 -1.26 -5.09 115.29 111.16 1wk1 s HIS 136 Ca 0.00 -0.05 0.04 0.00 0.47 0.00 0.00 55.06 55.52 1wk1 s HIS 136 Cb 0.00 -1.48 0.16 0.00 -0.13 0.00 0.00 32.58 31.13 1wk1 s HIS 136 CO 0.00 0.51 0.40 0.21 -2.47 0.00 0.00 174.74 173.40 1wk1 s LYS 137 N -2.84 2.00 0.13 2.88 2.36 -1.26 -4.94 119.74 118.08 1wk1 s LYS 137 Ca 0.29 -2.89 -0.12 0.00 -2.55 0.00 0.00 55.97 50.70 1wk1 s LYS 137 Cb -0.10 -2.96 -0.05 0.00 -1.05 0.00 0.00 37.83 33.67 1wk1 s LYS 137 CO 0.21 -1.26 1.46 -1.00 1.55 0.00 0.00 175.35 176.31 1wk1 h PRO 138 N 5.76 0.89 -3.22 4.03 0.13 -2.08 -3.47 132.00 134.04 1wk1 h PRO 138 Ca 0.11 -0.47 -0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1wk1 h PRO 138 Cb 0.82 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 31.87 1wk1 h PRO 138 CO 0.63 1.11 0.09 1.21 -0.23 0.00 0.00 178.00 180.81 1wk1 s ASN 139 N -6.77 -0.30 -0.02 1.44 3.84 -1.26 -5.07 114.94 106.81 1wk1 s ASN 139 Ca -0.11 -0.46 -0.20 0.00 0.21 0.00 0.00 52.86 52.29 1wk1 s ASN 139 Cb 0.11 0.61 -0.30 0.00 -0.55 0.00 0.00 41.25 41.12 1wk1 s ASN 139 CO 0.87 -1.11 0.96 0.74 -2.79 0.00 0.00 177.10 175.78 1wk1 h THR 140 N 2.13 1.45 -6.66 -5.21 2.02 -2.03 -3.47 112.91 101.15 1wk1 h THR 140 Ca -0.27 -2.47 -0.50 0.00 0.77 0.00 0.00 66.41 63.94 1wk1 h THR 140 Cb 1.27 3.03 -0.28 0.00 -1.74 0.00 0.00 68.15 70.43 1wk1 h THR 140 CO 0.34 0.71 -0.72 2.30 0.37 0.00 0.00 175.52 178.52 1wk1 n ILE 141 N -4.06 -0.21 -3.89 3.11 -5.35 -1.26 -4.90 119.36 102.80 1wk1 n ILE 141 Ca -0.14 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.13 1wk1 n ILE 141 Cb 0.85 -0.67 -0.02 0.00 -1.74 0.00 0.00 39.64 38.05 1wk1 n ILE 141 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1wk1 s GLY 142 N -3.01 1.25 -0.15 3.28 0.00 -1.26 -5.12 107.32 102.31 1wk1 s GLY 142 Ca 0.66 -1.22 -0.07 0.00 0.00 0.00 0.00 44.72 44.08 1wk1 s GLY 142 CO 0.81 -1.23 0.35 -0.35 0.00 0.00 0.00 173.10 172.68 1wk1 s ASP 143 N -4.00 -0.36 -0.38 1.64 2.15 -1.26 -5.10 116.67 109.36 1wk1 s ASP 143 Ca 0.35 0.76 -0.35 0.00 0.43 0.00 0.00 52.55 53.74 1wk1 s ASP 143 Cb -0.09 0.68 -0.15 0.00 -0.30 0.00 0.00 42.92 43.06 1wk1 s ASP 143 CO 0.30 -0.19 1.27 0.00 -0.17 0.00 0.00 175.17 176.38 1wk1 n ALA 144 N 4.40 -0.86 -2.82 3.66 0.00 -1.26 -4.91 120.51 118.72 1wk1 n ALA 144 Ca -0.22 0.34 -0.28 0.00 0.00 0.00 0.00 53.44 53.29 1wk1 n ALA 144 Cb 0.54 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.46 1wk1 n ALA 144 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wk1 s SER 145 N 2.60 5.71 0.38 0.00 1.04 -1.26 -5.13 113.70 117.04 1wk1 s SER 145 Ca 0.81 -0.03 0.08 0.00 0.48 0.00 0.00 55.95 57.30 1wk1 s SER 145 Cb -1.14 -1.56 -0.07 0.00 0.10 0.00 0.00 66.02 63.35 1wk1 s SER 145 CO 0.60 0.10 -0.03 -0.83 0.98 0.00 0.00 173.24 174.06 1wk1 s GLY 146 N -2.90 2.38 0.77 7.32 0.00 -1.26 -5.14 107.32 108.49 1wk1 s GLY 146 Ca 0.31 -2.22 -0.11 0.00 0.00 0.00 0.00 44.72 42.71 1wk1 s GLY 146 CO 0.24 -2.07 1.09 2.56 0.00 0.00 0.00 173.10 174.92 1wk1 s PRO 147 N -3.67 2.26 0.04 2.90 0.04 -1.26 -5.06 135.00 130.25 1wk1 s PRO 147 Ca 0.34 1.17 0.06 0.00 0.04 0.00 0.00 61.00 62.61 1wk1 s PRO 147 Cb 0.07 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 1wk1 s PRO 147 CO 0.17 -1.64 -0.13 -1.12 0.04 0.00 0.00 177.00 174.32 1wk1 s SER 148 N -3.39 4.20 -0.10 6.66 0.01 -1.26 -5.12 113.70 114.71 1wk1 s SER 148 Ca 0.61 -0.33 -0.01 0.00 1.31 0.00 0.00 55.95 57.54 1wk1 s SER 148 Cb -0.17 -0.81 0.03 0.00 0.21 0.00 0.00 66.02 65.27 1wk1 s SER 148 CO 0.56 0.25 -0.03 -0.94 0.41 0.00 0.00 173.24 173.48 1wk1 s SER 149 N -1.61 1.94 0.00 2.44 1.04 -1.26 -5.15 113.70 111.10 1wk1 s SER 149 Ca 0.17 -0.23 0.28 0.00 0.48 0.00 0.00 55.95 56.66 1wk1 s SER 149 Cb -0.11 -0.63 1.11 0.00 0.10 0.00 0.00 66.02 66.49 1wk1 s SER 149 CO 0.08 -0.17 1.78 0.61 0.98 0.00 0.00 173.24 176.52