#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk1 n SER 2 N 0.00 -0.36 -4.84 1.61 3.41 -1.26 -4.90 113.62 107.28 1wk1 n SER 2 Ca 0.00 0.46 -0.32 0.00 -0.26 0.00 0.00 58.87 58.75 1wk1 n SER 2 Cb 0.00 -1.38 -0.00 0.00 -0.26 0.00 0.00 64.21 62.57 1wk1 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wk1 s SER 3 N -2.18 6.20 0.69 4.04 0.15 -1.26 -5.08 113.70 116.26 1wk1 s SER 3 Ca 0.66 1.58 0.04 0.00 0.70 0.00 0.00 55.95 58.92 1wk1 s SER 3 Cb -0.25 -2.50 0.13 0.00 -1.71 0.00 0.00 66.02 61.68 1wk1 s SER 3 CO 0.59 -0.88 0.94 0.61 1.20 0.00 0.00 173.24 175.70 1wk1 n GLY 4 N -1.86 1.14 0.60 9.45 0.00 -1.26 -5.07 105.19 108.20 1wk1 n GLY 4 Ca 0.07 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1wk1 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wk1 n SER 5 N -2.68 1.63 -3.96 1.61 3.41 -1.26 -5.03 113.62 107.34 1wk1 n SER 5 Ca 0.17 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.48 1wk1 n SER 5 Cb 0.60 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.57 1wk1 n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wk1 n SER 6 N -2.72 -3.81 0.00 4.04 2.88 -1.26 -4.94 113.62 107.82 1wk1 n SER 6 Ca 0.00 -0.85 0.00 0.00 -1.33 0.00 0.00 58.87 56.69 1wk1 n SER 6 Cb 0.46 -3.62 0.00 0.00 -0.75 0.00 0.00 64.21 60.29 1wk1 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wk1 n GLY 7 N -1.64 1.68 3.62 0.46 0.00 -1.26 -4.81 105.19 103.23 1wk1 n GLY 7 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1wk1 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wk1 s VAL 8 N 0.00 4.10 0.07 1.61 1.01 -1.26 -4.99 120.40 120.93 1wk1 s VAL 8 Ca 0.00 1.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.88 1wk1 s VAL 8 Cb 0.00 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 1wk1 s VAL 8 CO 0.00 -0.56 1.15 -0.54 0.00 0.00 0.00 175.10 175.15 1wk1 s LYS 9 N 4.34 4.47 0.55 2.72 1.02 -1.26 -5.03 119.74 126.55 1wk1 s LYS 9 Ca 0.57 1.71 -0.09 0.00 0.02 0.00 0.00 55.97 58.18 1wk1 s LYS 9 Cb -0.16 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 1wk1 s LYS 9 CO 0.25 -0.19 0.92 -0.06 -0.92 0.00 0.00 175.35 175.36 1wk1 s PHE 10 N 0.89 3.58 -1.08 3.18 0.08 -1.26 -3.90 117.98 119.48 1wk1 s PHE 10 Ca 0.57 1.12 -0.07 0.00 0.12 0.00 0.00 56.93 58.66 1wk1 s PHE 10 Cb -0.28 -2.56 0.06 0.00 -0.57 0.00 0.00 43.02 39.67 1wk1 s PHE 10 CO 0.30 -0.48 0.32 1.28 -0.10 0.00 0.00 175.22 176.53 1wk1 n LEU 11 N -2.41 -1.18 -3.83 -0.37 4.77 -0.54 -4.92 117.00 108.53 1wk1 n LEU 11 Ca 0.04 -0.19 -0.19 0.00 -0.03 0.00 0.00 56.01 55.64 1wk1 n LEU 11 Cb 0.54 -1.92 -0.16 0.00 -2.33 0.00 0.00 43.42 39.55 1wk1 n LEU 11 CO 0.55 0.07 -0.38 0.42 -1.33 0.00 0.00 177.39 176.71 1wk1 s THR 12 N -2.74 0.30 -0.08 -5.08 -4.23 -1.25 -5.05 115.64 97.50 1wk1 s THR 12 Ca 0.28 0.04 -0.29 0.00 -1.18 0.00 0.00 61.69 60.54 1wk1 s THR 12 Cb -0.15 -0.39 -0.07 0.00 1.34 0.00 0.00 72.50 73.23 1wk1 s THR 12 CO 0.35 0.18 2.02 -0.69 -0.54 0.00 0.00 174.62 175.94 1wk1 s VAL 13 N 1.15 3.09 -0.39 2.29 1.01 -1.26 -4.55 120.40 121.75 1wk1 s VAL 13 Ca -0.08 0.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.80 1wk1 s VAL 13 Cb -0.14 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.17 1wk1 s VAL 13 CO -0.02 -0.03 0.66 0.20 0.00 0.00 0.00 175.10 175.91 1wk1 s ASN 14 N 5.77 6.41 0.23 3.32 0.01 -0.96 -4.95 114.94 124.76 1wk1 s ASN 14 Ca 0.91 0.02 -0.15 0.00 -0.71 0.00 0.00 52.86 52.92 1wk1 s ASN 14 Cb -0.37 -2.33 0.28 0.00 0.41 0.00 0.00 41.25 39.23 1wk1 s ASN 14 CO 0.38 -0.68 1.57 0.44 -1.51 0.00 0.00 177.10 177.30 1wk1 h ASP 15 N 8.61 -1.10 0.00 -1.22 3.32 -1.92 -3.37 116.42 120.75 1wk1 h ASP 15 Ca -0.26 0.27 -0.47 0.00 0.02 0.00 0.00 57.03 56.59 1wk1 h ASP 15 Cb 1.10 0.62 -0.06 0.00 0.22 0.00 0.00 39.33 41.22 1wk1 h ASP 15 CO 0.87 -0.29 1.32 0.47 -1.72 0.00 0.00 179.24 179.89 1wk1 n ASP 16 N -5.50 0.34 -4.71 6.45 8.00 -1.26 -4.60 116.55 115.26 1wk1 n ASP 16 Ca 0.10 0.26 -0.41 0.00 0.71 0.00 0.00 54.79 55.45 1wk1 n ASP 16 Cb 0.41 -0.74 -0.03 0.00 -0.02 0.00 0.00 41.12 40.73 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 6.60 4.90 -0.10 0.53 -4.36 -1.26 -4.56 121.20 122.95 1wk1 s ILE 17 Ca 1.07 1.91 -0.16 0.00 -0.26 0.00 0.00 60.65 63.21 1wk1 s ILE 17 Cb -1.08 -4.25 0.04 0.00 1.25 0.00 0.00 42.46 38.41 1wk1 s ILE 17 CO 0.44 0.19 0.40 -0.76 0.24 0.00 0.00 174.94 175.45 1wk1 s LEU 18 N 0.91 0.49 1.11 0.37 1.43 -0.97 -4.69 118.68 117.33 1wk1 s LEU 18 Ca 0.48 0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 54.00 1wk1 s LEU 18 Cb -0.20 1.46 0.20 0.00 0.03 0.00 0.00 46.19 47.68 1wk1 s LEU 18 CO 0.26 -0.29 0.73 -1.54 0.23 0.00 0.00 176.35 175.74 1wk1 n SER 19 N 2.12 -1.62 0.00 2.29 3.41 -1.26 -3.20 113.62 115.36 1wk1 n SER 19 Ca -0.17 -0.02 -0.09 0.00 -0.26 0.00 0.00 58.87 58.33 1wk1 n SER 19 Cb 0.57 -1.21 -0.03 0.00 -0.26 0.00 0.00 64.21 63.27 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 -2.33 -0.18 0.00 4.33 4.05 -1.80 0.54 114.93 119.55 1wk1 h MET 20 Ca -0.55 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.88 1wk1 h MET 20 Cb 1.33 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.17 1wk1 h MET 20 CO 0.44 -0.12 0.00 -0.35 0.23 0.00 0.00 176.91 177.11 1wk1 n PRO 21 N -5.29 0.28 -0.07 0.39 -0.04 -1.26 -2.20 135.00 126.81 1wk1 n PRO 21 Ca -0.03 0.11 -0.08 0.00 -0.04 0.00 0.00 63.50 63.45 1wk1 n PRO 21 Cb 0.21 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.07 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 -1.21 1.39 0.06 0.54 6.02 -0.09 -4.38 117.38 119.71 1wk1 n GLN 22 Ca 0.08 0.02 -0.05 0.00 -0.01 0.00 0.00 57.00 57.05 1wk1 n GLN 22 Cb 0.10 -1.35 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 1wk1 n GLN 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wk1 h ALA 23 N 0.47 -0.25 -1.01 -1.58 0.00 0.23 -2.93 119.26 114.20 1wk1 h ALA 23 Ca -0.37 -0.08 0.30 0.00 0.00 0.00 0.00 54.91 54.76 1wk1 h ALA 23 Cb 1.77 0.10 -0.14 0.00 0.00 0.00 0.00 17.79 19.51 1wk1 h ALA 23 CO -0.00 -0.24 0.59 0.07 0.00 0.00 0.00 179.25 179.67 1wk1 h ARG 24 N -1.06 0.37 -0.31 0.00 0.11 -1.68 0.75 114.38 112.58 1wk1 h ARG 24 Ca -0.03 -0.02 -0.11 0.00 0.10 0.00 0.00 59.98 59.92 1wk1 h ARG 24 Cb 0.24 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 1wk1 h ARG 24 CO 0.04 0.25 -0.26 -0.97 0.10 0.00 0.00 179.97 179.13 1wk1 h ASN 25 N 0.39 0.62 0.64 0.08 -1.24 -1.76 -2.84 115.58 111.46 1wk1 h ASN 25 Ca 0.71 -0.22 -0.03 0.00 0.71 0.00 0.00 56.30 57.47 1wk1 h ASN 25 Cb 1.58 -0.17 0.01 0.00 0.73 0.00 0.00 38.32 40.46 1wk1 h ASN 25 CO -0.56 0.86 -0.31 0.15 -1.29 0.00 0.00 177.43 176.29 1wk1 h PHE 26 N 0.53 -0.79 -0.85 0.67 3.04 0.67 -1.55 116.94 118.66 1wk1 h PHE 26 Ca 0.07 -0.02 0.22 0.00 3.98 0.00 0.00 57.97 62.22 1wk1 h PHE 26 Cb 0.73 0.26 -0.14 0.00 2.56 0.00 0.00 35.95 39.35 1wk1 h PHE 26 CO 0.03 -0.49 0.11 0.00 -2.02 0.00 0.00 178.31 175.94 1wk1 h ALA 28 N 1.79 0.29 -0.79 0.00 0.00 -1.23 0.88 119.26 120.19 1wk1 h ALA 28 Ca 0.51 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.33 1wk1 h ALA 28 Cb 0.98 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1wk1 h ALA 28 CO -0.70 -0.14 0.52 1.03 0.00 0.00 0.00 179.25 179.95 1wk1 h SER 29 N 0.23 0.92 -0.50 0.00 0.87 0.32 -2.57 113.55 112.82 1wk1 h SER 29 Ca 0.08 -0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.48 1wk1 h SER 29 Cb 0.14 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 1wk1 h SER 29 CO -0.01 0.68 -0.17 0.00 -0.53 0.00 0.00 176.83 176.80 1wk1 h ALA 30 N 1.28 0.73 0.00 6.23 0.00 -0.46 -3.47 119.26 123.58 1wk1 h ALA 30 Ca 0.29 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wk1 h ALA 30 Cb -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1wk1 h ALA 30 CO -0.06 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1wk1 n GLY 31 N -0.19 0.43 0.00 0.00 0.00 0.04 -5.02 105.19 100.45 1wk1 n GLY 31 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 3.01 3.55 -0.02 0.00 0.28 -4.71 105.19 107.31 1wk1 n GLY 32 Ca 0.00 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.07 -0.63 0.12 1.61 -0.85 0.15 -2.50 117.35 112.18 1wk1 s TYR 33 Ca 0.00 1.19 -0.34 0.00 -0.52 0.00 0.00 57.07 57.40 1wk1 s TYR 33 Cb 0.00 0.39 -0.18 0.00 0.38 0.00 0.00 41.96 42.55 1wk1 s TYR 33 CO 0.00 -0.51 0.92 1.28 -1.52 0.00 0.00 175.55 175.72 1wk1 n LEU 34 N 1.25 0.10 -4.63 -3.49 4.77 -1.26 0.14 117.00 113.87 1wk1 n LEU 34 Ca -0.16 1.15 -0.43 0.00 -0.03 0.00 0.00 56.01 56.53 1wk1 n LEU 34 Cb 0.57 -1.03 -0.03 0.00 -2.33 0.00 0.00 43.42 40.60 1wk1 n LEU 34 CO 0.18 -2.06 0.88 0.00 -1.33 0.00 0.00 177.39 175.06 1wk1 s ALA 35 N -0.40 3.49 1.08 -1.18 0.00 -0.05 -4.54 121.76 120.17 1wk1 s ALA 35 Ca 0.76 -0.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.41 1wk1 s ALA 35 Cb -1.02 -3.60 0.23 0.00 0.00 0.00 0.00 23.12 18.73 1wk1 s ALA 35 CO 0.55 -1.45 1.12 0.16 0.00 0.00 0.00 175.76 176.14 1wk1 s ASP 36 N 1.67 1.95 -0.48 0.00 1.47 -1.26 -3.03 116.67 117.00 1wk1 s ASP 36 Ca 0.43 0.85 0.06 0.00 1.18 0.00 0.00 52.55 55.07 1wk1 s ASP 36 Cb -0.12 -1.28 0.22 0.00 -0.34 0.00 0.00 42.92 41.39 1wk1 s ASP 36 CO 0.15 -3.51 0.50 -0.67 0.68 0.00 0.00 175.17 172.32 1wk1 n ASP 37 N -4.38 0.92 -3.97 2.11 -0.08 -1.26 -4.84 116.55 105.05 1wk1 n ASP 37 Ca 0.09 -2.79 -0.30 0.00 -1.51 0.00 0.00 54.79 50.28 1wk1 n ASP 37 Cb 0.59 -0.63 -0.14 0.00 2.34 0.00 0.00 41.12 43.27 1wk1 n ASP 37 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 1wk1 s LEU 38 N -1.08 4.45 0.00 -2.67 2.34 -1.26 -4.88 118.68 115.58 1wk1 s LEU 38 Ca 0.34 -2.71 0.00 0.00 0.06 0.00 0.00 54.13 51.82 1wk1 s LEU 38 Cb 0.10 -1.63 0.00 0.00 -0.56 0.00 0.00 46.19 44.11 1wk1 s LEU 38 CO -0.13 -0.28 0.00 0.61 -1.06 0.00 0.00 176.35 175.49 1wk1 n GLY 39 N 3.51 4.62 0.29 -3.48 0.00 -1.26 -4.81 105.19 104.07 1wk1 n GLY 39 Ca 0.05 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 1wk1 n GLY 39 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1wk1 h ASP 40 N 0.00 -0.82 -0.50 1.61 1.82 -1.97 -0.39 116.42 116.18 1wk1 h ASP 40 Ca 0.00 0.14 -0.05 0.00 -0.39 0.00 0.00 57.03 56.73 1wk1 h ASP 40 Cb 0.00 0.37 -0.03 0.00 0.68 0.00 0.00 39.33 40.35 1wk1 h ASP 40 CO 0.00 -0.30 0.14 0.44 -1.61 0.00 0.00 179.24 177.91 1wk1 h ASP 41 N -0.29 0.79 -0.41 2.28 3.32 -1.98 -1.14 116.42 118.99 1wk1 h ASP 41 Ca 0.12 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.06 1wk1 h ASP 41 Cb 0.48 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 1wk1 h ASP 41 CO -0.36 0.77 0.20 0.50 -1.72 0.00 0.00 179.24 178.63 1wk1 h LYS 42 N 0.81 0.39 -0.23 3.56 1.63 -1.57 -1.30 116.57 119.87 1wk1 h LYS 42 Ca 0.18 -0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.83 1wk1 h LYS 42 Cb 0.29 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1wk1 h LYS 42 CO -0.00 0.26 -0.33 -0.97 -3.45 0.00 0.00 179.45 174.95 1wk1 h ASN 43 N 0.40 0.69 -0.34 4.20 -1.24 -0.89 -2.99 115.58 115.42 1wk1 h ASN 43 Ca 0.18 -0.51 0.10 0.00 0.71 0.00 0.00 56.30 56.77 1wk1 h ASN 43 Cb 0.09 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 1wk1 h ASN 43 CO -0.13 1.07 0.25 0.78 -1.29 0.00 0.00 177.43 178.11 1wk1 h ASN 44 N 0.33 0.00 0.01 1.15 2.35 -0.92 -1.93 115.58 116.57 1wk1 h ASN 44 Ca 0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1wk1 h ASN 44 Cb 0.92 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1wk1 h ASN 44 CO 0.08 0.00 -0.01 0.15 -1.65 0.00 0.00 177.43 176.00 1wk1 h PHE 45 N 0.00 -0.02 0.01 1.19 3.57 -1.10 -3.25 116.94 117.34 1wk1 h PHE 45 Ca 0.16 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.69 1wk1 h PHE 45 Cb 0.67 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 1wk1 h PHE 45 CO 0.00 0.58 -0.21 1.88 -2.23 0.00 0.00 178.31 178.32 1wk1 h TYR 46 N -0.62 -0.56 -0.97 0.41 0.05 -1.26 -2.00 116.97 112.02 1wk1 h TYR 46 Ca -0.00 0.02 0.32 0.00 0.05 0.00 0.00 58.73 59.11 1wk1 h TYR 46 Cb 0.60 0.25 -0.17 0.00 1.01 0.00 0.00 36.73 38.42 1wk1 h TYR 46 CO 0.13 -0.30 0.34 1.03 -1.05 0.00 0.00 178.16 178.31 1wk1 h SER 47 N -0.34 0.07 -0.38 3.88 0.87 -1.49 0.90 113.55 117.06 1wk1 h SER 47 Ca 0.06 0.24 0.08 0.00 -1.23 0.00 0.00 61.79 60.94 1wk1 h SER 47 Cb 0.42 0.30 -0.09 0.00 -0.44 0.00 0.00 62.40 62.59 1wk1 h SER 47 CO -0.19 -0.29 -0.22 -1.28 -0.53 0.00 0.00 176.83 174.31 1wk1 h SER 48 N 0.11 -0.75 1.00 6.23 0.87 -1.39 -0.63 113.55 118.99 1wk1 h SER 48 Ca 0.69 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 61.41 1wk1 h SER 48 Cb 1.60 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 63.95 1wk1 h SER 48 CO -0.75 -0.25 -0.45 2.30 -0.53 0.00 0.00 176.83 177.15 1wk1 n ILE 49 N -5.39 0.38 0.38 2.23 -5.35 0.88 -3.73 119.36 108.77 1wk1 n ILE 49 Ca 0.02 -0.25 -0.03 0.00 -0.27 0.00 0.00 62.75 62.22 1wk1 n ILE 49 Cb 0.30 -0.23 0.09 0.00 -1.74 0.00 0.00 39.64 38.06 1wk1 n ILE 49 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wk1 n ALA 50 N -1.79 3.19 -1.57 -1.28 0.00 0.28 -4.78 120.51 114.56 1wk1 n ALA 50 Ca 0.04 -0.73 -0.14 0.00 0.00 0.00 0.00 53.44 52.61 1wk1 n ALA 50 Cb 0.43 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.69 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 0.09 0.25 -2.60 0.00 0.00 -1.08 -2.00 120.51 115.17 1wk1 n ALA 51 Ca 0.13 -1.85 -0.07 0.00 0.00 0.00 0.00 53.44 51.66 1wk1 n ALA 51 Cb 0.70 -3.31 0.02 0.00 0.00 0.00 0.00 19.45 16.86 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 19.45 -3.09 -3.96 0.00 3.02 -1.26 -5.04 115.26 124.38 1wk1 n ASN 52 Ca 0.44 -0.11 -0.23 0.00 -0.03 0.00 0.00 54.58 54.64 1wk1 n ASN 52 Cb 0.45 -1.90 -0.17 0.00 -0.61 0.00 0.00 39.78 37.55 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 -2.83 0.89 -0.34 3.41 2.01 -0.85 -4.76 115.64 113.17 1wk1 s THR 53 Ca 0.12 -0.32 -0.08 0.00 0.31 0.00 0.00 61.69 61.72 1wk1 s THR 53 Cb -0.05 -0.85 0.02 0.00 0.01 0.00 0.00 72.50 71.63 1wk1 s THR 53 CO 0.15 0.31 0.13 -1.10 -0.69 0.00 0.00 174.62 173.42 1wk1 s GLN 54 N 0.88 2.86 0.17 4.92 -0.21 -1.26 -2.99 119.66 124.03 1wk1 s GLN 54 Ca -0.11 -1.03 0.06 0.00 0.02 0.00 0.00 55.36 54.30 1wk1 s GLN 54 Cb -0.15 -3.53 -0.05 0.00 1.00 0.00 0.00 33.01 30.29 1wk1 s GLN 54 CO 0.01 -0.60 -0.12 -0.59 -2.12 0.00 0.00 175.29 171.87 1wk1 s PHE 55 N 1.49 1.46 1.10 0.91 -0.71 -1.11 -4.11 117.98 117.02 1wk1 s PHE 55 Ca 0.01 -0.68 -0.16 0.00 -1.04 0.00 0.00 56.93 55.06 1wk1 s PHE 55 Cb -0.19 -0.71 0.24 0.00 -1.21 0.00 0.00 43.02 41.15 1wk1 s PHE 55 CO 0.04 0.20 1.10 -1.58 -1.34 0.00 0.00 175.22 173.64 1wk1 s TRP 56 N -3.17 1.33 0.28 3.49 0.52 0.12 0.20 118.94 121.71 1wk1 s TRP 56 Ca 0.19 0.74 -0.03 0.00 0.02 0.00 0.00 56.10 57.02 1wk1 s TRP 56 Cb 0.01 -3.36 -0.01 0.00 -1.15 0.00 0.00 33.47 28.96 1wk1 s TRP 56 CO 0.03 -3.39 0.36 0.96 0.02 0.00 0.00 176.95 174.93 1wk1 s ILE 57 N -2.99 0.00 -0.82 2.03 -4.36 -1.20 -4.41 121.20 109.46 1wk1 s ILE 57 Ca 0.68 -1.71 0.14 0.00 -0.26 0.00 0.00 60.65 59.50 1wk1 s ILE 57 Cb -0.14 -2.48 0.13 0.00 1.25 0.00 0.00 42.46 41.21 1wk1 s ILE 57 CO 0.57 0.00 1.44 0.61 0.24 0.00 0.00 174.94 177.80 1wk1 n GLY 58 N -0.46 -0.95 3.68 6.27 0.00 -1.17 -4.65 105.19 107.92 1wk1 n GLY 58 Ca 0.01 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.46 4.21 -0.17 0.99 2.96 -1.26 0.80 118.68 122.75 1wk1 s LEU 59 Ca 0.04 1.42 -0.15 0.00 -0.22 0.00 0.00 54.13 55.22 1wk1 s LEU 59 Cb 0.07 -3.48 0.05 0.00 0.50 0.00 0.00 46.19 43.33 1wk1 s LEU 59 CO 0.23 -0.47 0.46 0.72 -1.32 0.00 0.00 176.35 175.97 1wk1 s PHE 60 N 2.24 -0.52 0.35 5.38 -0.12 -0.73 -3.09 117.98 121.49 1wk1 s PHE 60 Ca 0.45 1.26 -0.26 0.00 -0.05 0.00 0.00 56.93 58.33 1wk1 s PHE 60 Cb -0.17 0.19 -0.09 0.00 -0.63 0.00 0.00 43.02 42.31 1wk1 s PHE 60 CO 0.15 -0.26 1.04 0.21 -0.05 0.00 0.00 175.22 176.31 1wk1 s LYS 61 N 0.37 4.38 0.50 1.99 2.20 -0.78 -0.51 119.74 127.88 1wk1 s LYS 61 Ca -0.01 1.55 0.07 0.00 -0.36 0.00 0.00 55.97 57.23 1wk1 s LYS 61 Cb -0.04 -2.77 0.03 0.00 -1.51 0.00 0.00 37.83 33.54 1wk1 s LYS 61 CO -0.01 0.04 0.51 1.21 -0.36 0.00 0.00 175.35 176.74 1wk1 s ASN 62 N -1.39 4.97 0.16 1.43 2.47 0.72 -4.84 114.94 118.46 1wk1 s ASN 62 Ca 0.53 -0.91 -0.23 0.00 0.42 0.00 0.00 52.86 52.66 1wk1 s ASN 62 Cb -0.24 -0.02 0.04 0.00 -1.45 0.00 0.00 41.25 39.58 1wk1 s ASN 62 CO 0.30 -0.99 1.61 0.28 -3.72 0.00 0.00 177.10 174.58 1wk1 h SER 63 N 0.68 -0.97 -0.92 -4.21 0.02 -1.97 -0.25 113.55 105.93 1wk1 h SER 63 Ca -0.37 0.17 0.24 0.00 -0.84 0.00 0.00 61.79 60.99 1wk1 h SER 63 Cb 1.29 0.45 -0.13 0.00 0.14 0.00 0.00 62.40 64.15 1wk1 h SER 63 CO 0.52 -0.31 0.41 0.44 -1.14 0.00 0.00 176.83 176.75 1wk1 h ASP 64 N -0.27 0.35 0.00 3.07 3.32 -2.04 -3.45 116.42 117.40 1wk1 h ASP 64 Ca 0.15 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1wk1 h ASP 64 Cb 0.52 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1wk1 h ASP 64 CO -0.47 -0.02 0.00 0.61 -1.72 0.00 0.00 179.24 177.64 1wk1 n GLY 65 N -1.33 1.02 3.91 2.75 0.00 -0.11 -5.13 105.19 106.29 1wk1 n GLY 65 Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 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 3.27 -0.05 1.61 -0.21 -1.26 -4.77 119.66 118.25 1wk1 s GLN 66 Ca 0.00 -0.75 -0.19 0.00 0.02 0.00 0.00 55.36 54.44 1wk1 s GLN 66 Cb 0.00 -2.83 -0.05 0.00 1.00 0.00 0.00 33.01 31.13 1wk1 s GLN 66 CO 0.00 0.48 0.52 -0.06 -2.12 0.00 0.00 175.29 174.11 1wk1 s PHE 67 N -1.85 3.63 0.42 0.91 0.08 -1.26 -0.20 117.98 119.70 1wk1 s PHE 67 Ca 0.33 1.06 0.04 0.00 0.12 0.00 0.00 56.93 58.48 1wk1 s PHE 67 Cb -0.10 -2.54 -0.05 0.00 -0.57 0.00 0.00 43.02 39.76 1wk1 s PHE 67 CO 0.27 0.33 0.03 0.71 -0.10 0.00 0.00 175.22 176.46 1wk1 s TYR 68 N -0.02 2.14 -0.15 0.36 1.51 0.33 -1.18 117.35 120.34 1wk1 s TYR 68 Ca 0.28 -0.88 -0.04 0.00 -1.01 0.00 0.00 57.07 55.43 1wk1 s TYR 68 Cb -0.17 -1.56 -0.03 0.00 -0.11 0.00 0.00 41.96 40.10 1wk1 s TYR 68 CO 0.14 0.21 -0.03 -1.58 -1.11 0.00 0.00 175.55 173.18 1wk1 s TRP 69 N -2.94 3.04 -0.45 2.71 0.23 0.12 -1.77 118.94 119.88 1wk1 s TRP 69 Ca 0.26 -0.24 -0.29 0.00 -2.03 0.00 0.00 56.10 53.81 1wk1 s TRP 69 Cb 0.07 -1.95 0.01 0.00 0.03 0.00 0.00 33.47 31.63 1wk1 s TRP 69 CO 0.13 0.01 1.36 0.34 0.96 0.00 0.00 176.95 179.76 1wk1 s ASP 70 N 0.27 6.35 -0.26 2.95 -1.08 0.24 -3.31 116.67 121.83 1wk1 s ASP 70 Ca -0.02 0.67 0.10 0.00 -0.52 0.00 0.00 52.55 52.78 1wk1 s ASP 70 Cb -0.14 -2.54 0.48 0.00 -1.46 0.00 0.00 42.92 39.26 1wk1 s ASP 70 CO 0.03 -1.45 1.40 0.54 0.52 0.00 0.00 175.17 176.21 1wk1 n ARG 71 N 8.14 1.87 0.00 4.34 5.12 -1.26 -4.43 116.66 130.44 1wk1 n ARG 71 Ca 0.15 -3.14 0.00 0.00 -1.93 0.00 0.00 57.85 52.93 1wk1 n ARG 71 Cb 0.48 -1.77 0.00 0.00 -1.16 0.00 0.00 32.46 30.02 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 -1.08 0.53 0.09 -0.13 0.00 -1.26 -4.53 105.19 98.82 1wk1 n GLY 72 Ca 0.29 -2.19 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 1wk1 n GLY 72 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wk1 n GLN 73 N 0.00 0.51 -0.26 1.61 7.27 -1.26 -4.49 117.38 120.76 1wk1 n GLN 73 Ca 0.00 0.44 0.11 0.00 0.07 0.00 0.00 57.00 57.62 1wk1 n GLN 73 Cb 0.00 -1.62 0.27 0.00 2.41 0.00 0.00 30.24 31.30 1wk1 n GLN 73 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wk1 n GLY 74 N 1.50 1.74 3.81 1.69 0.00 -1.26 -4.94 105.19 107.73 1wk1 n GLY 74 Ca -0.20 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 1wk1 n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wk1 s ILE 75 N -1.33 4.51 -0.05 -0.61 -1.09 -1.26 -5.01 121.20 116.35 1wk1 s ILE 75 Ca 0.40 1.35 -0.30 0.00 -2.23 0.00 0.00 60.65 59.88 1wk1 s ILE 75 Cb 0.22 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 37.21 1wk1 s ILE 75 CO 0.30 0.11 1.48 0.20 -1.23 0.00 0.00 174.94 175.80 1wk1 s ASN 76 N -1.76 6.79 0.60 3.58 -0.87 -1.26 -4.74 114.94 117.27 1wk1 s ASN 76 Ca 0.47 2.09 -0.17 0.00 -1.57 0.00 0.00 52.86 53.68 1wk1 s ASN 76 Cb -0.16 -2.55 -0.03 0.00 -0.02 0.00 0.00 41.25 38.50 1wk1 s ASN 76 CO 0.21 -0.81 1.12 -2.16 -2.57 0.00 0.00 177.10 172.88 1wk1 s PRO 77 N 3.26 3.10 -0.11 -0.60 0.04 -1.26 -4.79 135.00 134.64 1wk1 s PRO 77 Ca 0.66 1.51 -0.02 0.00 0.04 0.00 0.00 61.00 63.19 1wk1 s PRO 77 Cb -0.31 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 1wk1 s PRO 77 CO 0.25 -1.03 -0.04 0.34 0.04 0.00 0.00 177.00 176.57 1wk1 s ASP 78 N -2.15 4.86 0.07 6.66 2.15 -1.21 -4.88 116.67 122.17 1wk1 s ASP 78 Ca 0.70 -0.02 -0.31 0.00 0.43 0.00 0.00 52.55 53.35 1wk1 s ASP 78 Cb -0.22 -1.50 -0.06 0.00 -0.30 0.00 0.00 42.92 40.84 1wk1 s ASP 78 CO 0.34 0.29 1.21 -0.22 -0.17 0.00 0.00 175.17 176.62 1wk1 s LEU 79 N -0.35 4.38 -0.64 -1.34 1.98 -1.26 0.11 118.68 121.56 1wk1 s LEU 79 Ca 0.06 2.06 -0.26 0.00 -2.89 0.00 0.00 54.13 53.09 1wk1 s LEU 79 Cb -0.12 -3.58 -0.03 0.00 0.66 0.00 0.00 46.19 43.11 1wk1 s LEU 79 CO 0.02 -0.48 1.96 -0.22 -1.89 0.00 0.00 176.35 175.75 1wk1 s LEU 80 N 0.98 3.28 -0.21 -0.68 2.96 -0.32 -4.76 118.68 119.93 1wk1 s LEU 80 Ca 0.59 0.31 0.14 0.00 -0.22 0.00 0.00 54.13 54.95 1wk1 s LEU 80 Cb -0.30 -2.53 0.45 0.00 0.50 0.00 0.00 46.19 44.31 1wk1 s LEU 80 CO 0.30 -2.53 1.19 -3.20 -1.32 0.00 0.00 176.35 170.78 1wk1 n ASN 81 N 13.51 2.64 -4.81 3.68 5.15 -1.26 -4.92 115.26 129.26 1wk1 n ASN 81 Ca 0.26 -3.28 -0.38 0.00 -0.60 0.00 0.00 54.58 50.58 1wk1 n ASN 81 Cb 0.52 -0.42 -0.06 0.00 -0.53 0.00 0.00 39.78 39.28 1wk1 n ASN 81 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wk1 s GLN 82 N -2.93 4.29 0.43 1.20 -2.07 -1.26 -4.97 119.66 114.34 1wk1 s GLN 82 Ca 0.40 0.86 0.22 0.00 -1.82 0.00 0.00 55.36 55.02 1wk1 s GLN 82 Cb 0.38 -3.10 0.94 0.00 -1.09 0.00 0.00 33.01 30.14 1wk1 s GLN 82 CO -0.05 0.53 1.85 -1.00 -1.32 0.00 0.00 175.29 175.30 1wk1 h PRO 83 N 4.01 0.00 -5.32 9.60 0.13 -2.04 -3.42 132.00 134.96 1wk1 h PRO 83 Ca -0.48 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.04 1wk1 h PRO 83 Cb 1.20 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 1wk1 h PRO 83 CO 0.65 0.27 -0.50 0.42 -0.23 0.00 0.00 178.00 178.60 1wk1 s ILE 84 N -3.81 5.30 0.19 -3.56 1.01 -1.26 -5.09 121.20 113.97 1wk1 s ILE 84 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1wk1 s ILE 84 Cb 0.12 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1wk1 s ILE 84 CO 0.65 0.47 0.06 0.42 0.00 0.00 0.00 174.94 176.54 1wk1 s THR 85 N 0.19 0.35 0.00 2.92 -4.23 -1.26 -4.87 115.64 108.74 1wk1 s THR 85 Ca 0.08 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 1wk1 s THR 85 Cb -0.11 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.43 1wk1 s THR 85 CO -0.01 -0.27 0.85 -1.22 -0.54 0.00 0.00 174.62 173.43 1wk1 n TYR 86 N -0.26 0.00 -1.19 3.99 4.01 -1.26 -5.02 117.16 117.43 1wk1 n TYR 86 Ca -0.03 -0.36 -0.44 0.00 -0.16 0.00 0.00 57.90 56.92 1wk1 n TYR 86 Cb 0.65 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 39.60 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 -0.36 0.02 -0.91 -0.72 5.03 -1.26 -2.98 117.44 116.26 1wk1 n TRP 87 Ca 0.00 0.83 -0.30 0.00 3.03 0.00 0.00 57.50 61.06 1wk1 n TRP 87 Cb 0.29 -1.66 0.26 0.00 -1.03 0.00 0.00 31.31 29.17 1wk1 n TRP 87 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1wk1 n ALA 88 N 0.56 -3.75 -1.77 6.99 0.00 -0.15 -4.52 120.51 117.87 1wk1 n ALA 88 Ca 0.16 -1.62 -0.27 0.00 0.00 0.00 0.00 53.44 51.71 1wk1 n ALA 88 Cb 0.14 -0.12 -0.05 0.00 0.00 0.00 0.00 19.45 19.43 1wk1 n ALA 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wk1 s ASN 89 N -4.24 4.57 0.00 0.00 4.22 -1.26 -1.16 114.94 117.07 1wk1 s ASN 89 Ca 0.71 0.18 0.00 0.00 -2.14 0.00 0.00 52.86 51.61 1wk1 s ASN 89 Cb -0.08 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 39.92 1wk1 s ASN 89 CO 0.55 -3.09 0.00 0.61 -2.04 0.00 0.00 177.10 173.12 1wk1 n GLY 90 N 6.42 1.16 3.83 0.45 0.00 -1.26 -5.08 105.19 110.70 1wk1 n GLY 90 Ca 0.38 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.27 3.01 0.39 1.61 0.41 -0.31 -3.66 118.70 119.88 1wk1 s GLU 91 Ca 0.00 -0.80 -0.26 0.00 -0.41 0.00 0.00 54.97 53.50 1wk1 s GLU 91 Cb 0.00 -2.72 -0.09 0.00 -1.78 0.00 0.00 34.13 29.55 1wk1 s GLU 91 CO 0.00 0.50 1.19 -1.25 -0.49 0.00 0.00 175.26 175.21 1wk1 s PRO 92 N -3.07 4.10 0.47 0.39 0.04 -1.26 -4.66 135.00 131.01 1wk1 s PRO 92 Ca 0.32 1.91 -0.23 0.00 0.04 0.00 0.00 61.00 63.04 1wk1 s PRO 92 Cb -0.10 -2.75 -0.07 0.00 0.04 0.00 0.00 34.50 31.62 1wk1 s PRO 92 CO 0.24 -0.30 1.19 0.45 0.04 0.00 0.00 177.00 178.62 1wk1 s SER 93 N -1.02 6.04 -0.21 6.66 0.15 -1.24 -4.91 113.70 119.17 1wk1 s SER 93 Ca 0.56 2.36 -0.00 0.00 0.70 0.00 0.00 55.95 59.57 1wk1 s SER 93 Cb -0.32 -2.61 0.18 0.00 -1.71 0.00 0.00 66.02 61.56 1wk1 s SER 93 CO 0.41 -1.01 1.82 -3.20 1.20 0.00 0.00 173.24 172.46 1wk1 n ASN 94 N -0.58 5.35 -4.67 5.45 2.85 -1.26 -4.88 115.26 117.51 1wk1 n ASN 94 Ca 0.08 -2.80 -0.38 0.00 -0.11 0.00 0.00 54.58 51.37 1wk1 n ASN 94 Cb 0.48 -0.95 -0.07 0.00 1.24 0.00 0.00 39.78 40.48 1wk1 n ASN 94 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1wk1 s ASP 95 N 0.53 6.45 0.42 1.20 -1.08 -1.26 -4.96 116.67 117.97 1wk1 s ASP 95 Ca 0.22 0.53 0.21 0.00 -0.52 0.00 0.00 52.55 53.00 1wk1 s ASP 95 Cb 0.18 -2.23 0.92 0.00 -1.46 0.00 0.00 42.92 40.32 1wk1 s ASP 95 CO 0.01 -0.07 1.85 1.55 0.52 0.00 0.00 175.17 179.02 1wk1 h PRO 96 N 7.32 0.00 -0.04 4.34 0.13 -2.05 -3.18 132.00 138.53 1wk1 h PRO 96 Ca -0.36 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.69 1wk1 h PRO 96 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1wk1 h PRO 96 CO 0.72 0.28 -0.28 1.79 -0.23 0.00 0.00 178.00 180.28 1wk1 h THR 97 N 0.00 1.47 -3.44 1.56 1.35 -1.99 -3.42 112.91 108.44 1wk1 h THR 97 Ca -0.00 -1.79 -0.59 0.00 -0.55 0.00 0.00 66.41 63.48 1wk1 h THR 97 Cb 0.70 2.51 -0.08 0.00 -1.73 0.00 0.00 68.15 69.55 1wk1 h THR 97 CO 0.04 0.50 0.67 -0.13 -0.25 0.00 0.00 175.52 176.35 1wk1 s ARG 98 N -3.45 3.92 -0.00 4.72 0.52 -1.20 -4.43 118.95 119.02 1wk1 s ARG 98 Ca -0.15 0.73 0.00 0.00 -0.52 0.00 0.00 55.73 55.80 1wk1 s ARG 98 Cb 0.02 -3.78 -0.00 0.00 0.52 0.00 0.00 34.95 31.71 1wk1 s ARG 98 CO 0.76 -0.93 -0.00 1.04 0.02 0.00 0.00 175.30 176.19 1wk1 n GLN 99 N 6.80 1.57 -3.19 3.54 6.02 -1.14 -4.67 117.38 126.32 1wk1 n GLN 99 Ca 0.09 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.74 1wk1 n GLN 99 Cb 0.48 -1.01 -0.06 0.00 1.02 0.00 0.00 30.24 30.67 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 -1.81 4.00 -0.02 0.00 1.01 -1.18 0.17 120.40 122.57 1wk1 s VAL 101 Ca 0.49 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1wk1 s VAL 101 Cb -0.12 -2.75 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 1wk1 s VAL 101 CO 0.19 0.42 -0.10 -0.72 0.00 0.00 0.00 175.10 174.89 1wk1 s TYR 102 N -1.02 0.97 -0.66 5.22 -0.85 0.06 -3.24 117.35 117.83 1wk1 s TYR 102 Ca 0.18 -0.23 -0.26 0.00 -0.52 0.00 0.00 57.07 56.24 1wk1 s TYR 102 Cb -0.11 -0.67 -0.11 0.00 0.38 0.00 0.00 41.96 41.45 1wk1 s TYR 102 CO 0.08 -0.08 2.41 0.12 -1.52 0.00 0.00 175.55 176.56 1wk1 s PHE 103 N 0.07 1.11 -0.89 -3.49 5.36 0.52 -3.11 117.98 117.55 1wk1 s PHE 103 Ca -0.01 1.81 -0.25 0.00 -0.96 0.00 0.00 56.93 57.52 1wk1 s PHE 103 Cb -0.07 -3.50 0.00 0.00 -0.34 0.00 0.00 43.02 39.11 1wk1 s PHE 103 CO 0.00 -1.99 1.67 0.34 -1.46 0.00 0.00 175.22 173.79 1wk1 s ASP 104 N 11.45 5.77 0.10 6.13 -1.08 0.17 -2.77 116.67 136.44 1wk1 s ASP 104 Ca 0.95 -0.79 -0.13 0.00 -0.52 0.00 0.00 52.55 52.05 1wk1 s ASP 104 Cb -0.15 -2.56 -0.17 0.00 -1.46 0.00 0.00 42.92 38.58 1wk1 s ASP 104 CO 0.16 -2.14 1.28 1.23 0.52 0.00 0.00 175.17 176.21 1wk1 h GLY 105 N 15.26 0.85 -2.03 2.66 0.00 -1.78 -3.13 103.07 114.89 1wk1 h GLY 105 Ca 0.04 -1.27 -0.06 0.00 0.00 0.00 0.00 47.33 46.04 1wk1 h GLY 105 CO 1.30 1.13 0.08 0.54 0.00 0.00 0.00 176.54 179.59 1wk1 n ARG 106 N -3.91 1.50 -0.03 4.80 1.74 -1.26 -4.14 116.66 115.36 1wk1 n ARG 106 Ca -0.08 -0.64 0.00 0.00 -0.77 0.00 0.00 57.85 56.36 1wk1 n ARG 106 Cb 0.79 -1.43 0.02 0.00 -1.02 0.00 0.00 32.46 30.82 1wk1 n ARG 106 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wk1 n SER 107 N 0.15 0.70 0.00 0.55 2.88 -1.18 -4.85 113.62 111.87 1wk1 n SER 107 Ca 0.10 -2.02 0.00 0.00 -1.33 0.00 0.00 58.87 55.61 1wk1 n SER 107 Cb 0.62 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 1wk1 n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wk1 n GLY 108 N 0.31 1.85 3.41 0.46 0.00 -1.26 -4.89 105.19 105.07 1wk1 n GLY 108 Ca 0.01 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1wk1 n GLY 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wk1 s ASP 109 N 0.02 2.05 -0.19 1.61 1.01 -1.26 -5.07 116.67 114.84 1wk1 s ASP 109 Ca 0.00 -1.58 0.17 0.00 0.71 0.00 0.00 52.55 51.85 1wk1 s ASP 109 Cb 0.00 0.37 -0.23 0.00 1.01 0.00 0.00 42.92 44.07 1wk1 s ASP 109 CO 0.00 -0.87 0.06 2.29 0.21 0.00 0.00 175.17 176.86 1wk1 n LYS 110 N -0.70 0.92 0.00 8.23 2.85 -1.26 -4.23 118.16 123.97 1wk1 n LYS 110 Ca -0.01 -0.01 0.13 0.00 -1.05 0.00 0.00 58.31 57.37 1wk1 n LYS 110 Cb 0.65 -1.48 0.68 0.00 -0.65 0.00 0.00 35.03 34.23 1wk1 n LYS 110 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1wk1 n SER 111 N -2.70 0.00 -1.85 -5.58 3.41 -1.26 -3.17 113.62 102.48 1wk1 n SER 111 Ca -0.31 -0.16 -0.09 0.00 -0.26 0.00 0.00 58.87 58.06 1wk1 n SER 111 Cb 1.11 -0.26 0.07 0.00 -0.26 0.00 0.00 64.21 64.87 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 -1.26 2.34 0.06 4.33 5.02 -1.22 -4.17 118.16 123.27 1wk1 n LYS 112 Ca 0.13 -3.59 -0.13 0.00 -2.02 0.00 0.00 58.31 52.70 1wk1 n LYS 112 Cb 0.20 -1.73 -0.14 0.00 -0.02 0.00 0.00 35.03 33.35 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 3.26 1.34 -1.16 -0.18 -1.51 -1.51 -3.38 116.25 113.11 1wk1 h VAL 113 Ca 0.11 -3.00 -0.31 0.00 -1.23 0.00 0.00 66.70 62.27 1wk1 h VAL 113 Cb 1.40 2.79 0.00 0.00 -2.13 0.00 0.00 31.29 33.36 1wk1 h VAL 113 CO 0.39 0.84 1.09 0.79 -1.23 0.00 0.00 177.57 179.45 1wk1 n TRP 114 N -3.40 1.33 -4.79 5.19 7.02 -1.16 0.43 117.44 122.06 1wk1 n TRP 114 Ca -0.11 0.08 -0.25 0.00 -1.02 0.00 0.00 57.50 56.20 1wk1 n TRP 114 Cb 1.02 -2.62 -0.16 0.00 -2.42 0.00 0.00 31.31 27.12 1wk1 n TRP 114 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1wk1 s THR 115 N 13.08 1.35 0.54 -0.99 2.01 -1.18 -0.98 115.64 129.48 1wk1 s THR 115 Ca 0.97 -0.69 -0.10 0.00 0.31 0.00 0.00 61.69 62.18 1wk1 s THR 115 Cb -0.17 -1.16 -0.05 0.00 0.01 0.00 0.00 72.50 71.13 1wk1 s THR 115 CO 0.20 0.39 0.93 0.42 -0.69 0.00 0.00 174.62 175.87 1wk1 s THR 116 N -0.03 4.74 0.02 -0.82 -4.23 -1.26 -0.76 115.64 113.30 1wk1 s THR 116 Ca -0.02 0.73 -0.29 0.00 -1.18 0.00 0.00 61.69 60.93 1wk1 s THR 116 Cb -0.10 -3.83 0.10 0.00 1.34 0.00 0.00 72.50 70.01 1wk1 s THR 116 CO 0.01 -0.92 1.08 -0.62 -0.54 0.00 0.00 174.62 173.63 1wk1 s ASP 117 N -3.85 -0.17 0.46 3.99 2.15 0.13 -4.87 116.67 114.49 1wk1 s ASP 117 Ca 0.53 -0.18 -0.25 0.00 0.43 0.00 0.00 52.55 53.09 1wk1 s ASP 117 Cb -0.11 0.32 -0.08 0.00 -0.30 0.00 0.00 42.92 42.76 1wk1 s ASP 117 CO 0.45 -0.56 1.38 0.28 -0.17 0.00 0.00 175.17 176.55 1wk1 s THR 118 N -2.87 2.23 -0.19 1.71 -1.32 -1.26 -2.45 115.64 111.49 1wk1 s THR 118 Ca 0.11 0.20 0.01 0.00 -1.21 0.00 0.00 61.69 60.80 1wk1 s THR 118 Cb 0.01 -3.11 0.20 0.00 -1.51 0.00 0.00 72.50 68.09 1wk1 s THR 118 CO -0.03 0.02 1.24 0.00 -2.21 0.00 0.00 174.62 173.64 1wk1 n ALA 120 N 0.02 1.73 -2.40 0.00 0.00 -1.26 -3.65 120.51 114.95 1wk1 n ALA 120 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.19 1wk1 n ALA 120 Cb 0.82 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.25 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 -1.36 4.09 -0.37 0.00 2.01 -1.21 -4.69 115.64 114.12 1wk1 s THR 121 Ca 0.00 1.45 -0.28 0.00 0.31 0.00 0.00 61.69 63.17 1wk1 s THR 121 Cb 0.00 -3.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 1wk1 s THR 121 CO 0.00 0.03 1.71 -2.16 -0.69 0.00 0.00 174.62 173.50 1wk1 s PRO 122 N 1.98 3.35 0.03 4.92 0.04 -1.26 -4.19 135.00 139.87 1wk1 s PRO 122 Ca 0.58 1.26 -0.01 0.00 0.04 0.00 0.00 61.00 62.87 1wk1 s PRO 122 Cb -0.27 -4.17 -0.03 0.00 0.04 0.00 0.00 34.50 30.08 1wk1 s PRO 122 CO 0.25 -1.84 -0.01 1.03 0.04 0.00 0.00 177.00 176.46 1wk1 s ARG 123 N 5.56 0.45 0.82 4.56 0.52 -1.20 -4.66 118.95 125.01 1wk1 s ARG 123 Ca 0.75 -0.85 -0.11 0.00 -0.52 0.00 0.00 55.73 55.00 1wk1 s ARG 123 Cb -0.20 0.16 0.08 0.00 0.52 0.00 0.00 34.95 35.52 1wk1 s ARG 123 CO 0.33 -0.08 1.09 -1.25 0.02 0.00 0.00 175.30 175.40 1wk1 s PRO 124 N -2.50 1.88 0.26 3.54 0.04 -1.26 -2.28 135.00 134.67 1wk1 s PRO 124 Ca -0.06 1.04 0.01 0.00 0.04 0.00 0.00 61.00 62.02 1wk1 s PRO 124 Cb -0.02 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.65 1wk1 s PRO 124 CO -0.05 -1.87 0.32 1.97 0.04 0.00 0.00 177.00 177.41 1wk1 n PHE 125 N -3.66 -1.01 -3.84 0.56 -1.74 -1.26 0.15 117.46 106.66 1wk1 n PHE 125 Ca 0.08 -1.85 -0.23 0.00 -0.56 0.00 0.00 57.45 54.90 1wk1 n PHE 125 Cb 0.54 0.35 -0.17 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 -2.80 0.51 0.21 1.97 1.01 -1.26 -2.27 121.20 118.57 1wk1 s ILE 126 Ca 0.24 0.02 -0.18 0.00 0.00 0.00 0.00 60.65 60.73 1wk1 s ILE 126 Cb -0.00 -0.63 -0.08 0.00 0.01 0.00 0.00 42.46 41.76 1wk1 s ILE 126 CO 0.17 0.28 0.69 0.00 0.00 0.00 0.00 174.94 176.08 1wk1 s GLN 128 N -2.01 0.43 0.18 0.00 0.74 0.36 -1.46 119.66 117.90 1wk1 s GLN 128 Ca 0.42 -0.10 0.08 0.00 0.05 0.00 0.00 55.36 55.81 1wk1 s GLN 128 Cb -0.16 -0.46 -0.04 0.00 1.10 0.00 0.00 33.01 33.45 1wk1 s GLN 128 CO 0.20 0.01 -0.01 -1.59 -0.55 0.00 0.00 175.29 173.36 1wk1 s LYS 129 N 0.32 2.37 0.09 1.67 -2.85 -1.26 0.32 119.74 120.40 1wk1 s LYS 129 Ca -0.03 -1.13 -0.31 0.00 -1.00 0.00 0.00 55.97 53.50 1wk1 s LYS 129 Cb -0.07 -2.33 -0.09 0.00 -2.06 0.00 0.00 37.83 33.28 1wk1 s LYS 129 CO -0.00 0.45 1.66 -1.01 0.10 0.00 0.00 175.35 176.55 1wk1 s HIS 130 N -1.74 2.45 -0.39 1.78 3.76 -1.26 -4.89 115.29 115.00 1wk1 s HIS 130 Ca 0.27 0.31 -0.03 0.00 -0.15 0.00 0.00 55.06 55.46 1wk1 s HIS 130 Cb -0.09 -3.99 0.10 0.00 1.11 0.00 0.00 32.58 29.71 1wk1 s HIS 130 CO 0.18 -3.94 2.56 2.89 -0.85 0.00 0.00 174.74 175.59 1wk1 n ARG 131 N 5.44 2.19 -4.16 1.40 1.85 -1.26 -4.92 116.66 117.21 1wk1 n ARG 131 Ca 0.16 -2.04 -0.29 0.00 -1.00 0.00 0.00 57.85 54.68 1wk1 n ARG 131 Cb 0.40 -1.97 -0.08 0.00 -1.05 0.00 0.00 32.46 29.76 1wk1 n ARG 131 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 1wk1 s TYR 132 N -1.65 2.93 -0.03 2.89 5.04 -1.26 -5.01 117.35 120.25 1wk1 s TYR 132 Ca 0.50 -0.07 0.05 0.00 -2.44 0.00 0.00 57.07 55.11 1wk1 s TYR 132 Cb 0.34 -1.48 -0.03 0.00 0.35 0.00 0.00 41.96 41.14 1wk1 s TYR 132 CO -0.14 0.49 -0.17 0.16 -1.34 0.00 0.00 175.55 174.54 1wk1 s ASP 133 N -2.53 3.78 0.14 4.32 1.47 -1.26 -5.13 116.67 117.46 1wk1 s ASP 133 Ca 0.26 -0.29 -0.18 0.00 1.18 0.00 0.00 52.55 53.52 1wk1 s ASP 133 Cb -0.11 -0.70 0.04 0.00 -0.34 0.00 0.00 42.92 41.81 1wk1 s ASP 133 CO 0.18 0.33 0.46 -0.55 0.68 0.00 0.00 175.17 176.27 1wk1 s SER 134 N -0.80 -0.32 -0.79 2.11 0.15 -1.26 -5.11 113.70 107.68 1wk1 s SER 134 Ca 0.12 -0.24 -0.26 0.00 0.70 0.00 0.00 55.95 56.27 1wk1 s SER 134 Cb -0.10 0.51 0.04 0.00 -1.71 0.00 0.00 66.02 64.75 1wk1 s SER 134 CO 0.01 -0.89 1.28 -0.62 1.20 0.00 0.00 173.24 174.22 1wk1 s ASP 135 N -2.79 6.23 -0.17 5.45 2.15 -1.26 -4.76 116.67 121.52 1wk1 s ASP 135 Ca 0.03 -0.69 -0.09 0.00 0.43 0.00 0.00 52.55 52.22 1wk1 s ASP 135 Cb 0.01 -2.55 -0.07 0.00 -0.30 0.00 0.00 42.92 40.01 1wk1 s ASP 135 CO -0.12 -1.74 -0.23 1.57 -0.17 0.00 0.00 175.17 174.48 1wk1 n HIS 136 N 9.12 0.00 -2.84 -5.34 -0.00 -1.26 -4.99 115.22 109.91 1wk1 n HIS 136 Ca 0.08 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.40 1wk1 n HIS 136 Cb 0.49 -0.61 -0.05 0.00 -0.00 0.00 0.00 29.99 29.81 1wk1 n HIS 136 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1wk1 s LYS 137 N -2.35 4.67 0.07 1.57 3.01 -1.26 -4.98 119.74 120.48 1wk1 s LYS 137 Ca -0.24 1.32 -0.17 0.00 -1.01 0.00 0.00 55.97 55.86 1wk1 s LYS 137 Cb 0.09 -3.32 -0.11 0.00 -1.01 0.00 0.00 37.83 33.48 1wk1 s LYS 137 CO 0.31 0.40 1.39 -1.00 0.51 0.00 0.00 175.35 176.96 1wk1 h PRO 138 N 4.89 0.56 -2.15 -1.68 0.13 -2.02 -3.46 132.00 128.27 1wk1 h PRO 138 Ca -0.45 -0.29 -0.04 0.00 -0.87 0.00 0.00 66.00 64.35 1wk1 h PRO 138 Cb 1.21 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 32.13 1wk1 h PRO 138 CO 0.69 0.88 0.01 -0.80 -0.23 0.00 0.00 178.00 178.56 1wk1 s ASN 139 N -6.37 -0.75 0.03 1.44 -0.87 -1.26 -5.17 114.94 101.99 1wk1 s ASN 139 Ca -0.13 1.35 0.05 0.00 -1.57 0.00 0.00 52.86 52.55 1wk1 s ASN 139 Cb 0.07 1.31 -0.02 0.00 -0.02 0.00 0.00 41.25 42.59 1wk1 s ASN 139 CO 0.80 -0.23 -0.14 0.42 -2.57 0.00 0.00 177.10 175.37 1wk1 s THR 140 N 0.84 1.14 0.01 1.60 -4.23 -1.26 -4.98 115.64 108.76 1wk1 s THR 140 Ca -0.04 -0.93 -0.03 0.00 -1.18 0.00 0.00 61.69 59.51 1wk1 s THR 140 Cb -0.05 -1.02 -0.01 0.00 1.34 0.00 0.00 72.50 72.76 1wk1 s THR 140 CO -0.07 0.08 0.05 0.27 -0.54 0.00 0.00 174.62 174.41 1wk1 s ILE 141 N -0.74 0.09 -5.00 2.99 -4.36 -1.26 -4.78 121.20 108.14 1wk1 s ILE 141 Ca 0.03 -0.76 0.00 0.00 -0.26 0.00 0.00 60.65 59.65 1wk1 s ILE 141 Cb -0.07 -0.32 0.00 0.00 1.25 0.00 0.00 42.46 43.31 1wk1 s ILE 141 CO 0.01 -0.42 0.00 0.61 0.24 0.00 0.00 174.94 175.38 1wk1 n GLY 142 N 1.63 0.70 2.75 6.27 0.00 -1.26 0.16 105.19 115.44 1wk1 n GLY 142 Ca -0.23 -1.81 -0.25 0.00 0.00 0.00 0.00 46.02 43.73 1wk1 n GLY 142 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wk1 s ASP 143 N -4.00 2.17 -0.01 1.61 -4.77 -1.26 -4.90 116.67 105.52 1wk1 s ASP 143 Ca 0.00 -0.41 0.02 0.00 -3.30 0.00 0.00 52.55 48.85 1wk1 s ASP 143 Cb 0.00 -0.51 -0.00 0.00 -1.09 0.00 0.00 42.92 41.32 1wk1 s ASP 143 CO 0.00 -0.24 -0.05 0.00 0.70 0.00 0.00 175.17 175.57 1wk1 s ALA 144 N 1.93 0.47 -0.87 2.11 0.00 -1.26 -5.08 121.76 119.05 1wk1 s ALA 144 Ca 0.02 -0.21 -0.15 0.00 0.00 0.00 0.00 51.96 51.63 1wk1 s ALA 144 Cb -0.14 -0.14 0.20 0.00 0.00 0.00 0.00 23.12 23.03 1wk1 s ALA 144 CO -0.07 0.10 0.87 -1.54 0.00 0.00 0.00 175.76 175.12 1wk1 s SER 145 N -0.02 6.76 -0.16 0.00 1.04 -1.26 -4.99 113.70 115.07 1wk1 s SER 145 Ca 0.01 -2.59 -0.19 0.00 0.48 0.00 0.00 55.95 53.66 1wk1 s SER 145 Cb -0.03 -2.26 0.05 0.00 0.10 0.00 0.00 66.02 63.88 1wk1 s SER 145 CO -0.00 -0.67 0.51 -0.83 0.98 0.00 0.00 173.24 173.22 1wk1 s GLY 146 N 2.46 -0.38 1.19 7.32 0.00 -1.26 -5.17 107.32 111.49 1wk1 s GLY 146 Ca 0.22 1.32 -0.19 0.00 0.00 0.00 0.00 44.72 46.07 1wk1 s GLY 146 CO -0.09 1.10 1.11 2.56 0.00 0.00 0.00 173.10 177.78 1wk1 s PRO 147 N -0.03 -1.14 -0.06 2.90 0.04 -1.26 -5.05 135.00 130.40 1wk1 s PRO 147 Ca -0.02 -0.03 -0.04 0.00 0.04 0.00 0.00 61.00 60.95 1wk1 s PRO 147 Cb -0.03 -1.60 -0.04 0.00 0.04 0.00 0.00 34.50 32.86 1wk1 s PRO 147 CO 0.02 -3.67 0.11 -1.54 0.04 0.00 0.00 177.00 171.96 1wk1 s SER 148 N -3.86 6.00 -0.49 6.66 1.04 -1.26 -5.05 113.70 116.73 1wk1 s SER 148 Ca 0.71 0.31 -0.28 0.00 0.48 0.00 0.00 55.95 57.16 1wk1 s SER 148 Cb -0.10 -1.84 0.02 0.00 0.10 0.00 0.00 66.02 64.19 1wk1 s SER 148 CO 0.56 0.34 1.36 -0.94 0.98 0.00 0.00 173.24 175.55 1wk1 s SER 149 N -1.36 6.30 0.00 7.02 1.04 -1.26 -5.29 113.70 120.15 1wk1 s SER 149 Ca 0.19 0.52 0.00 0.00 0.48 0.00 0.00 55.95 57.14 1wk1 s SER 149 Cb -0.12 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1wk1 s SER 149 CO 0.09 -1.53 0.00 0.61 0.98 0.00 0.00 173.24 173.39