#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 -0.71 -4.69 1.61 7.64 -1.26 -4.82 113.62 111.39 1wk1 n SER 2 Ca 0.00 -0.93 -0.42 0.00 1.01 0.00 0.00 58.87 58.54 1wk1 n SER 2 Cb 0.00 -1.17 -0.03 0.00 -1.01 0.00 0.00 64.21 61.99 1wk1 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wk1 s SER 3 N -3.07 7.15 -0.40 6.43 1.04 -1.26 -5.00 113.70 118.58 1wk1 s SER 3 Ca 0.43 1.41 0.05 0.00 0.48 0.00 0.00 55.95 58.32 1wk1 s SER 3 Cb -0.25 -2.51 0.17 0.00 0.10 0.00 0.00 66.02 63.53 1wk1 s SER 3 CO 0.75 -0.37 0.50 -0.83 0.98 0.00 0.00 173.24 174.27 1wk1 s GLY 4 N 1.07 -0.47 -0.59 7.32 0.00 -1.26 -5.08 107.32 108.30 1wk1 s GLY 4 Ca 0.45 -0.65 0.04 0.00 0.00 0.00 0.00 44.72 44.56 1wk1 s GLY 4 CO 0.18 3.10 0.35 -0.45 0.00 0.00 0.00 173.10 176.28 1wk1 s SER 5 N 1.39 4.54 -0.28 1.64 0.15 -1.26 -5.04 113.70 114.83 1wk1 s SER 5 Ca 0.19 -3.33 -0.24 0.00 0.70 0.00 0.00 55.95 53.28 1wk1 s SER 5 Cb -0.09 -1.65 0.12 0.00 -1.71 0.00 0.00 66.02 62.70 1wk1 s SER 5 CO -0.05 -0.18 1.01 -0.55 1.20 0.00 0.00 173.24 174.67 1wk1 s SER 6 N -0.69 -0.47 0.00 5.45 0.15 -1.26 -4.17 113.70 112.70 1wk1 s SER 6 Ca 0.20 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.73 1wk1 s SER 6 Cb -0.18 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 1wk1 s SER 6 CO -0.06 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1wk1 n GLY 7 N 2.45 0.61 3.74 9.45 0.00 -1.26 -4.91 105.19 115.27 1wk1 n GLY 7 Ca -0.13 0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 4.01 0.27 1.61 0.11 -1.26 -4.03 120.40 121.11 1wk1 s VAL 8 Ca 0.00 1.85 -0.23 0.00 -2.93 0.00 0.00 61.98 60.66 1wk1 s VAL 8 Cb 0.00 -4.18 -0.09 0.00 -1.53 0.00 0.00 36.38 30.58 1wk1 s VAL 8 CO 0.00 0.37 0.84 -0.54 -3.33 0.00 0.00 175.10 172.44 1wk1 s LYS 9 N -0.72 4.45 0.16 1.54 1.02 -1.26 -5.05 119.74 119.89 1wk1 s LYS 9 Ca 0.45 1.13 -0.04 0.00 0.02 0.00 0.00 55.97 57.54 1wk1 s LYS 9 Cb -0.27 -2.87 -0.05 0.00 -0.52 0.00 0.00 37.83 34.11 1wk1 s LYS 9 CO 0.34 0.35 0.39 -0.06 -0.92 0.00 0.00 175.35 175.45 1wk1 s PHE 10 N -1.54 3.47 -1.49 3.18 0.40 -1.26 -4.27 117.98 116.48 1wk1 s PHE 10 Ca 0.46 0.53 -0.06 0.00 -0.60 0.00 0.00 56.93 57.26 1wk1 s PHE 10 Cb -0.18 -1.99 0.02 0.00 0.51 0.00 0.00 43.02 41.38 1wk1 s PHE 10 CO 0.23 0.41 0.66 1.28 0.70 0.00 0.00 175.22 178.49 1wk1 n LEU 11 N -0.10 -2.54 -3.76 -0.37 7.99 0.12 -4.92 117.00 113.42 1wk1 n LEU 11 Ca -0.03 -0.35 -0.18 0.00 -0.01 0.00 0.00 56.01 55.44 1wk1 n LEU 11 Cb 0.52 -2.81 -0.17 0.00 -0.11 0.00 0.00 43.42 40.85 1wk1 n LEU 11 CO 0.49 0.27 -0.36 0.42 -1.51 0.00 0.00 177.39 176.70 1wk1 s THR 12 N -3.15 0.06 -0.11 -5.08 -4.23 -1.26 -5.01 115.64 96.86 1wk1 s THR 12 Ca 0.36 0.22 -0.29 0.00 -1.18 0.00 0.00 61.69 60.80 1wk1 s THR 12 Cb -0.17 -0.22 -0.06 0.00 1.34 0.00 0.00 72.50 73.39 1wk1 s THR 12 CO 0.45 0.15 1.96 -0.69 -0.54 0.00 0.00 174.62 175.95 1wk1 s VAL 13 N 1.46 3.19 -0.43 2.29 1.01 -1.26 -4.62 120.40 122.04 1wk1 s VAL 13 Ca -0.04 0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.96 1wk1 s VAL 13 Cb -0.13 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1wk1 s VAL 13 CO -0.03 -0.07 0.59 0.20 0.00 0.00 0.00 175.10 175.80 1wk1 s ASN 14 N 5.60 6.30 0.23 3.32 0.01 -1.09 -4.94 114.94 124.36 1wk1 s ASN 14 Ca 0.88 -0.40 -0.04 0.00 -0.71 0.00 0.00 52.86 52.59 1wk1 s ASN 14 Cb -0.35 -2.30 0.44 0.00 0.41 0.00 0.00 41.25 39.45 1wk1 s ASN 14 CO 0.36 -0.73 1.26 0.47 -1.51 0.00 0.00 177.10 176.95 1wk1 n ASP 15 N 6.10 -0.23 -4.33 -1.22 8.00 -1.26 -4.20 116.55 119.40 1wk1 n ASP 15 Ca -0.03 1.38 -0.47 0.00 0.71 0.00 0.00 54.79 56.38 1wk1 n ASP 15 Cb 0.48 -0.44 -0.14 0.00 -0.02 0.00 0.00 41.12 41.00 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 -5.26 0.44 -4.72 -2.24 8.00 -1.26 -4.54 116.55 106.96 1wk1 n ASP 16 Ca 0.15 0.35 -0.41 0.00 0.71 0.00 0.00 54.79 55.58 1wk1 n ASP 16 Cb 0.46 -0.90 -0.04 0.00 -0.02 0.00 0.00 41.12 40.63 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 7.81 4.49 -0.12 0.53 -4.36 -1.26 -4.42 121.20 123.87 1wk1 s ILE 17 Ca 1.28 1.98 -0.16 0.00 -0.26 0.00 0.00 60.65 63.49 1wk1 s ILE 17 Cb -1.32 -4.26 0.04 0.00 1.25 0.00 0.00 42.46 38.17 1wk1 s ILE 17 CO 0.54 0.26 0.41 -0.76 0.24 0.00 0.00 174.94 175.63 1wk1 s LEU 18 N 0.27 0.43 1.19 0.37 1.43 0.36 -4.64 118.68 118.10 1wk1 s LEU 18 Ca 0.49 0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 54.12 1wk1 s LEU 18 Cb -0.24 1.48 0.28 0.00 0.03 0.00 0.00 46.19 47.74 1wk1 s LEU 18 CO 0.30 -0.25 0.85 -1.54 0.23 0.00 0.00 176.35 175.94 1wk1 n SER 19 N 2.36 -2.01 0.03 2.29 3.41 -1.26 -3.01 113.62 115.43 1wk1 n SER 19 Ca -0.15 -0.21 -0.10 0.00 -0.26 0.00 0.00 58.87 58.14 1wk1 n SER 19 Cb 0.57 -1.20 -0.04 0.00 -0.26 0.00 0.00 64.21 63.28 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 -2.68 -0.17 0.00 4.33 4.05 -1.79 0.43 114.93 119.10 1wk1 h MET 20 Ca -0.62 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.81 1wk1 h MET 20 Cb 1.34 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.18 1wk1 h MET 20 CO 0.48 -0.11 0.00 -0.35 0.23 0.00 0.00 176.91 177.16 1wk1 n PRO 21 N -5.26 0.14 -0.10 0.39 -0.04 -1.26 -2.47 135.00 126.41 1wk1 n PRO 21 Ca -0.04 0.18 -0.11 0.00 -0.04 0.00 0.00 63.50 63.49 1wk1 n PRO 21 Cb 0.18 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.01 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 -1.35 0.91 0.05 0.54 6.02 -0.35 -4.25 117.38 118.95 1wk1 n GLN 22 Ca 0.06 0.04 -0.03 0.00 -0.01 0.00 0.00 57.00 57.06 1wk1 n GLN 22 Cb 0.13 -1.46 -0.01 0.00 1.02 0.00 0.00 30.24 29.92 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 0.57 -0.36 -1.30 -1.58 0.00 0.02 -2.91 119.26 113.71 1wk1 h ALA 23 Ca -0.49 -0.04 0.39 0.00 0.00 0.00 0.00 54.91 54.77 1wk1 h ALA 23 Cb 1.99 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 19.75 1wk1 h ALA 23 CO -0.01 -0.34 0.87 0.07 0.00 0.00 0.00 179.25 179.83 1wk1 h ARG 24 N -0.46 0.14 -0.18 0.00 0.11 -1.73 1.28 114.38 113.55 1wk1 h ARG 24 Ca -0.02 -0.01 -0.12 0.00 0.10 0.00 0.00 59.98 59.94 1wk1 h ARG 24 Cb 0.13 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 1wk1 h ARG 24 CO 0.03 0.09 -0.39 -0.91 0.10 0.00 0.00 179.97 178.89 1wk1 h ASN 25 N 0.14 0.43 0.31 0.08 2.35 -1.74 -2.81 115.58 114.34 1wk1 h ASN 25 Ca 0.73 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 56.28 1wk1 h ASN 25 Cb 2.37 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 40.63 1wk1 h ASN 25 CO -0.27 0.78 -0.15 0.15 -1.65 0.00 0.00 177.43 176.29 1wk1 h PHE 26 N 0.34 -0.38 -1.20 1.19 3.04 0.18 -2.49 116.94 117.63 1wk1 h PHE 26 Ca 0.03 -0.01 0.37 0.00 3.98 0.00 0.00 57.97 62.34 1wk1 h PHE 26 Cb 0.85 0.13 -0.11 0.00 2.56 0.00 0.00 35.95 39.37 1wk1 h PHE 26 CO 0.02 -0.24 0.77 0.00 -2.02 0.00 0.00 178.31 176.85 1wk1 h ALA 28 N 1.61 0.12 -0.77 0.00 0.00 -1.48 0.31 119.26 119.05 1wk1 h ALA 28 Ca 0.73 -0.32 0.14 0.00 0.00 0.00 0.00 54.91 55.46 1wk1 h ALA 28 Cb 2.13 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.85 1wk1 h ALA 28 CO -0.37 -0.03 0.51 1.03 0.00 0.00 0.00 179.25 180.39 1wk1 h SER 29 N -0.24 0.45 0.75 0.00 0.87 0.02 0.77 113.55 116.17 1wk1 h SER 29 Ca 0.01 0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.43 1wk1 h SER 29 Cb 0.66 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1wk1 h SER 29 CO 0.03 0.24 -0.78 0.00 -0.53 0.00 0.00 176.83 175.78 1wk1 h ALA 30 N 1.64 0.71 0.00 6.23 0.00 -1.27 -3.48 119.26 123.09 1wk1 h ALA 30 Ca 0.38 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1wk1 h ALA 30 Cb 0.78 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1wk1 h ALA 30 CO -0.13 0.96 0.00 0.41 0.00 0.00 0.00 179.25 180.49 1wk1 n GLY 31 N 0.70 1.24 0.00 0.00 0.00 0.27 -4.92 105.19 102.48 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 4.11 3.53 -0.02 0.00 0.10 -4.96 105.19 107.95 1wk1 n GLY 32 Ca 0.00 -0.99 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.52 -0.67 0.26 1.61 1.13 -1.17 -3.30 117.35 113.69 1wk1 s TYR 33 Ca 0.00 1.20 -0.24 0.00 -1.41 0.00 0.00 57.07 56.62 1wk1 s TYR 33 Cb 0.00 0.40 -0.16 0.00 -1.10 0.00 0.00 41.96 41.10 1wk1 s TYR 33 CO 0.00 -0.58 0.35 1.28 -2.51 0.00 0.00 175.55 174.09 1wk1 n LEU 34 N 1.09 -1.71 -4.61 -3.49 4.77 -1.26 -0.32 117.00 111.47 1wk1 n LEU 34 Ca -0.18 0.97 -0.43 0.00 -0.03 0.00 0.00 56.01 56.34 1wk1 n LEU 34 Cb 0.57 -0.88 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1wk1 n LEU 34 CO 0.22 -3.23 0.87 0.00 -1.33 0.00 0.00 177.39 173.92 1wk1 s ALA 35 N -1.17 3.34 0.78 -1.18 0.00 -0.72 -4.44 121.76 118.37 1wk1 s ALA 35 Ca 0.59 -0.40 -0.11 0.00 0.00 0.00 0.00 51.96 52.04 1wk1 s ALA 35 Cb -0.79 -3.67 0.06 0.00 0.00 0.00 0.00 23.12 18.72 1wk1 s ALA 35 CO 0.55 -1.80 1.09 0.16 0.00 0.00 0.00 175.76 175.77 1wk1 s ASP 36 N 2.02 4.59 -0.60 0.00 1.47 -1.26 -2.69 116.67 120.20 1wk1 s ASP 36 Ca 0.42 1.42 0.05 0.00 1.18 0.00 0.00 52.55 55.63 1wk1 s ASP 36 Cb -0.11 -2.18 0.20 0.00 -0.34 0.00 0.00 42.92 40.50 1wk1 s ASP 36 CO 0.22 -1.92 0.55 0.47 0.68 0.00 0.00 175.17 175.17 1wk1 n ASP 37 N -3.41 2.29 -3.89 2.11 9.92 -1.26 -4.86 116.55 117.45 1wk1 n ASP 37 Ca 0.07 -3.07 -0.30 0.00 -0.53 0.00 0.00 54.79 50.96 1wk1 n ASP 37 Cb 0.55 -0.68 -0.14 0.00 -0.64 0.00 0.00 41.12 40.21 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 -1.48 3.82 0.00 0.64 2.34 -1.26 -4.84 118.68 117.90 1wk1 s LEU 38 Ca 0.32 -2.45 0.00 0.00 0.06 0.00 0.00 54.13 52.06 1wk1 s LEU 38 Cb 0.06 -1.40 0.00 0.00 -0.56 0.00 0.00 46.19 44.29 1wk1 s LEU 38 CO -0.12 -0.31 0.00 0.61 -1.06 0.00 0.00 176.35 175.47 1wk1 n GLY 39 N 3.83 4.16 0.54 -3.48 0.00 -1.26 -4.70 105.19 104.28 1wk1 n GLY 39 Ca 0.04 -1.03 0.35 0.00 0.00 0.00 0.00 46.02 45.39 1wk1 n GLY 39 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wk1 h ASP 40 N 0.00 0.00 0.53 1.61 5.19 -1.98 1.11 116.42 122.89 1wk1 h ASP 40 Ca 0.00 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.25 1wk1 h ASP 40 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1wk1 h ASP 40 CO 0.00 0.00 -0.70 -0.78 -3.12 0.00 0.00 179.24 174.64 1wk1 h ASP 41 N 0.00 0.17 0.68 6.45 3.58 -1.98 0.40 116.42 125.73 1wk1 h ASP 41 Ca 0.57 -0.12 -0.26 0.00 0.42 0.00 0.00 57.03 57.64 1wk1 h ASP 41 Cb 2.32 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 43.28 1wk1 h ASP 41 CO -0.01 0.82 -1.45 0.50 -2.88 0.00 0.00 179.24 176.23 1wk1 h LYS 42 N 0.10 0.00 0.00 0.28 1.63 0.79 -3.14 116.57 116.22 1wk1 h LYS 42 Ca -0.02 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1wk1 h LYS 42 Cb 1.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 1wk1 h LYS 42 CO 0.10 0.66 -0.00 -0.97 -3.45 0.00 0.00 179.45 175.79 1wk1 h ASN 43 N 0.00 -0.00 0.27 4.20 -1.24 -0.47 -3.01 115.58 115.33 1wk1 h ASN 43 Ca -0.19 -0.92 -0.01 0.00 0.71 0.00 0.00 56.30 55.90 1wk1 h ASN 43 Cb 1.91 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.96 1wk1 h ASN 43 CO 0.10 0.96 -0.03 -0.55 -1.29 0.00 0.00 177.43 176.61 1wk1 h ASN 44 N -0.99 0.00 0.04 1.15 7.08 -1.09 -1.95 115.58 119.82 1wk1 h ASN 44 Ca -0.00 0.00 -0.18 0.00 -3.08 0.00 0.00 56.30 53.04 1wk1 h ASN 44 Cb 0.92 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 37.18 1wk1 h ASN 44 CO 0.00 0.03 -0.71 0.15 -2.08 0.00 0.00 177.43 174.82 1wk1 h PHE 45 N 0.00 0.64 -0.22 4.14 3.57 -1.62 -3.33 116.94 120.13 1wk1 h PHE 45 Ca -0.00 -0.38 -0.04 0.00 3.53 0.00 0.00 57.97 61.09 1wk1 h PHE 45 Cb 0.18 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1wk1 h PHE 45 CO 0.00 1.22 -0.00 1.88 -2.23 0.00 0.00 178.31 179.18 1wk1 h TYR 46 N -0.12 0.43 -0.99 0.41 0.05 -1.30 -3.18 116.97 112.26 1wk1 h TYR 46 Ca -0.10 -0.08 0.16 0.00 0.05 0.00 0.00 58.73 58.77 1wk1 h TYR 46 Cb 1.45 -0.11 -0.17 0.00 1.01 0.00 0.00 36.73 38.91 1wk1 h TYR 46 CO 0.15 0.58 -0.35 0.45 -1.05 0.00 0.00 178.16 177.94 1wk1 n SER 47 N -4.66 -0.57 -0.05 3.88 2.88 -0.78 0.15 113.62 114.48 1wk1 n SER 47 Ca -0.04 1.72 -0.08 0.00 -1.33 0.00 0.00 58.87 59.14 1wk1 n SER 47 Cb 0.24 -0.42 -0.06 0.00 -0.75 0.00 0.00 64.21 63.22 1wk1 n SER 47 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wk1 h SER 48 N 0.00 -1.02 0.64 -3.46 0.02 -1.65 0.17 113.55 108.24 1wk1 h SER 48 Ca 0.38 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 1wk1 h SER 48 Cb 0.62 0.41 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1wk1 h SER 48 CO -0.99 -0.25 0.00 2.30 -1.14 0.00 0.00 176.83 176.75 1wk1 n ILE 49 N -4.20 0.89 -0.07 3.27 -5.35 -0.30 -2.28 119.36 111.32 1wk1 n ILE 49 Ca -0.03 0.26 -0.01 0.00 -0.27 0.00 0.00 62.75 62.71 1wk1 n ILE 49 Cb 0.20 -1.17 0.19 0.00 -1.74 0.00 0.00 39.64 37.12 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 -1.72 3.50 -1.53 -1.28 0.00 0.41 -4.83 120.51 115.05 1wk1 n ALA 50 Ca 0.02 -1.17 -0.41 0.00 0.00 0.00 0.00 53.44 51.88 1wk1 n ALA 50 Cb 0.20 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.49 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 0.15 1.03 -3.30 0.00 0.00 -0.94 -1.63 120.51 115.82 1wk1 n ALA 51 Ca 0.20 -0.51 -0.23 0.00 0.00 0.00 0.00 53.44 52.89 1wk1 n ALA 51 Cb 0.86 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 17.42 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 13.02 -4.15 -4.08 0.00 5.03 -1.26 -4.95 115.26 118.87 1wk1 n ASN 52 Ca 0.40 -0.37 -0.23 0.00 0.87 0.00 0.00 54.58 55.24 1wk1 n ASN 52 Cb 0.39 -3.41 -0.16 0.00 -1.02 0.00 0.00 39.78 35.59 1wk1 n ASN 52 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1wk1 s THR 53 N -2.97 1.16 -0.20 3.41 2.01 -0.65 -4.77 115.64 113.63 1wk1 s THR 53 Ca 0.38 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.78 1wk1 s THR 53 Cb -0.20 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.31 1wk1 s THR 53 CO 0.47 0.34 -0.07 -1.10 -0.69 0.00 0.00 174.62 173.57 1wk1 s GLN 54 N 0.03 3.37 0.17 4.92 -0.21 -1.26 -2.68 119.66 124.01 1wk1 s GLN 54 Ca -0.02 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 54.73 1wk1 s GLN 54 Cb -0.09 -2.92 -0.04 0.00 1.00 0.00 0.00 33.01 30.95 1wk1 s GLN 54 CO 0.01 -0.11 0.05 -0.59 -2.12 0.00 0.00 175.29 172.53 1wk1 s PHE 55 N 1.24 1.14 0.42 0.91 -0.71 -1.06 -3.90 117.98 116.02 1wk1 s PHE 55 Ca 0.03 -1.15 -0.17 0.00 -1.04 0.00 0.00 56.93 54.60 1wk1 s PHE 55 Cb -0.14 -0.64 -0.09 0.00 -1.21 0.00 0.00 43.02 40.93 1wk1 s PHE 55 CO -0.02 -0.38 0.88 -1.58 -1.34 0.00 0.00 175.22 172.78 1wk1 s TRP 56 N -3.85 3.39 0.46 3.49 0.52 0.12 0.94 118.94 124.01 1wk1 s TRP 56 Ca 0.28 1.39 0.03 0.00 0.02 0.00 0.00 56.10 57.81 1wk1 s TRP 56 Cb 0.07 -2.69 -0.02 0.00 -1.15 0.00 0.00 33.47 29.68 1wk1 s TRP 56 CO 0.06 -0.13 0.07 0.96 0.02 0.00 0.00 176.95 177.93 1wk1 s ILE 57 N -2.28 0.84 -0.33 2.03 -4.36 -1.23 -4.15 121.20 111.72 1wk1 s ILE 57 Ca 0.58 -2.00 0.25 0.00 -0.26 0.00 0.00 60.65 59.22 1wk1 s ILE 57 Cb -0.10 -2.25 0.27 0.00 1.25 0.00 0.00 42.46 41.62 1wk1 s ILE 57 CO 0.22 0.00 1.76 1.23 0.24 0.00 0.00 174.94 178.38 1wk1 h GLY 58 N 1.58 0.00 -4.48 6.27 0.00 -1.74 -3.43 103.07 101.26 1wk1 h GLY 58 Ca -0.39 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.41 1wk1 h GLY 58 CO 0.64 0.00 0.56 -2.27 0.00 0.00 0.00 176.54 175.47 1wk1 s LEU 59 N -4.74 4.37 -0.25 3.11 2.96 -1.26 0.73 118.68 123.60 1wk1 s LEU 59 Ca 0.02 2.02 -0.21 0.00 -0.22 0.00 0.00 54.13 55.74 1wk1 s LEU 59 Cb 0.09 -3.58 0.07 0.00 0.50 0.00 0.00 46.19 43.27 1wk1 s LEU 59 CO 0.38 -0.47 0.66 0.72 -1.32 0.00 0.00 176.35 176.31 1wk1 s PHE 60 N 1.06 -0.79 0.42 5.38 -0.12 -0.75 -3.27 117.98 119.91 1wk1 s PHE 60 Ca 0.59 1.83 -0.22 0.00 -0.05 0.00 0.00 56.93 59.08 1wk1 s PHE 60 Cb -0.30 0.33 -0.09 0.00 -0.63 0.00 0.00 43.02 42.33 1wk1 s PHE 60 CO 0.29 -0.39 1.02 0.21 -0.05 0.00 0.00 175.22 176.30 1wk1 s LYS 61 N 0.65 4.10 0.39 1.99 2.20 -0.62 -0.84 119.74 127.62 1wk1 s LYS 61 Ca -0.02 1.37 0.08 0.00 -0.36 0.00 0.00 55.97 57.04 1wk1 s LYS 61 Cb -0.05 -2.36 -0.03 0.00 -1.51 0.00 0.00 37.83 33.88 1wk1 s LYS 61 CO -0.04 -0.17 0.28 1.21 -0.36 0.00 0.00 175.35 176.27 1wk1 s ASN 62 N -1.81 4.88 0.26 1.43 3.84 -0.15 -4.81 114.94 118.57 1wk1 s ASN 62 Ca 0.61 -0.79 -0.01 0.00 0.21 0.00 0.00 52.86 52.88 1wk1 s ASN 62 Cb -0.17 -0.63 0.55 0.00 -0.55 0.00 0.00 41.25 40.45 1wk1 s ASN 62 CO 0.22 -0.53 1.75 0.28 -2.79 0.00 0.00 177.10 176.03 1wk1 h SER 63 N 1.23 0.47 -0.89 -4.21 0.02 -1.98 0.10 113.55 108.30 1wk1 h SER 63 Ca -0.43 0.10 0.13 0.00 -0.84 0.00 0.00 61.79 60.76 1wk1 h SER 63 Cb 1.26 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.77 1wk1 h SER 63 CO 0.61 0.17 0.57 -0.78 -1.14 0.00 0.00 176.83 176.27 1wk1 h ASP 64 N 0.57 0.71 0.00 3.07 1.82 -2.03 -3.45 116.42 117.10 1wk1 h ASP 64 Ca 0.47 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 57.15 1wk1 h ASP 64 Cb 0.71 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.61 1wk1 h ASP 64 CO -0.39 0.38 0.00 0.61 -1.61 0.00 0.00 179.24 178.23 1wk1 n GLY 65 N -1.42 1.02 3.94 -0.78 0.00 0.36 -5.12 105.19 103.20 1wk1 n GLY 65 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.10 3.46 -0.16 1.61 -0.21 -1.26 -4.79 119.66 118.20 1wk1 s GLN 66 Ca 0.00 -0.54 -0.20 0.00 0.02 0.00 0.00 55.36 54.64 1wk1 s GLN 66 Cb 0.00 -2.95 -0.03 0.00 1.00 0.00 0.00 33.01 31.03 1wk1 s GLN 66 CO 0.00 0.51 0.60 -0.06 -2.12 0.00 0.00 175.29 174.21 1wk1 s PHE 67 N -1.74 3.44 0.50 0.91 0.08 -1.26 -0.98 117.98 118.92 1wk1 s PHE 67 Ca 0.35 0.96 0.01 0.00 0.12 0.00 0.00 56.93 58.37 1wk1 s PHE 67 Cb -0.11 -2.73 0.01 0.00 -0.57 0.00 0.00 43.02 39.62 1wk1 s PHE 67 CO 0.29 -0.05 0.09 0.66 -0.10 0.00 0.00 175.22 176.11 1wk1 n TYR 68 N 4.50 0.72 -4.32 0.36 4.02 -0.02 -1.30 117.16 121.12 1wk1 n TYR 68 Ca -0.03 -2.37 -0.30 0.00 -0.01 0.00 0.00 57.90 55.19 1wk1 n TYR 68 Cb 0.50 -0.35 -0.11 0.00 -0.02 0.00 0.00 39.34 39.37 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 -2.73 2.68 -0.31 -0.72 0.52 0.39 -1.81 118.94 116.96 1wk1 s TRP 69 Ca 0.07 -0.19 -0.21 0.00 0.02 0.00 0.00 56.10 55.79 1wk1 s TRP 69 Cb -0.01 -1.43 -0.01 0.00 -1.15 0.00 0.00 33.47 30.88 1wk1 s TRP 69 CO 0.04 0.39 0.67 0.34 0.02 0.00 0.00 176.95 178.41 1wk1 s ASP 70 N -2.03 6.53 -0.32 2.95 2.15 0.23 -3.37 116.67 122.80 1wk1 s ASP 70 Ca 0.19 0.45 0.06 0.00 0.43 0.00 0.00 52.55 53.69 1wk1 s ASP 70 Cb -0.11 -2.35 0.46 0.00 -0.30 0.00 0.00 42.92 40.62 1wk1 s ASP 70 CO 0.11 -0.52 1.24 0.54 -0.17 0.00 0.00 175.17 176.37 1wk1 n ARG 71 N 5.97 3.55 0.00 4.34 5.12 -1.26 -4.53 116.66 129.85 1wk1 n ARG 71 Ca 0.00 -4.12 0.00 0.00 -1.93 0.00 0.00 57.85 51.80 1wk1 n ARG 71 Cb 0.49 -2.28 0.00 0.00 -1.16 0.00 0.00 32.46 29.51 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 -0.71 -1.68 3.55 -0.13 0.00 -1.26 -4.54 105.19 100.41 1wk1 n GLY 72 Ca 0.45 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 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 3.82 0.00 1.61 0.74 -1.26 -4.51 119.66 120.06 1wk1 s GLN 73 Ca 0.00 -0.41 0.00 0.00 0.05 0.00 0.00 55.36 55.00 1wk1 s GLN 73 Cb 0.00 -3.22 0.00 0.00 1.10 0.00 0.00 33.01 30.89 1wk1 s GLN 73 CO 0.00 0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.25 1wk1 n GLY 74 N 4.06 1.84 3.67 2.59 0.00 -1.26 -4.99 105.19 111.10 1wk1 n GLY 74 Ca -0.16 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 2.15 -1.84 -0.61 2.08 -1.26 -4.88 119.36 115.00 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 -1.42 -0.03 0.00 -0.75 0.00 0.00 39.64 37.45 1wk1 n ILE 75 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1wk1 s ASN 76 N -0.45 6.49 1.24 4.38 2.20 -1.26 -4.75 114.94 122.79 1wk1 s ASN 76 Ca 0.58 2.74 -0.21 0.00 -0.94 0.00 0.00 52.86 55.04 1wk1 s ASN 76 Cb -0.58 -2.60 0.31 0.00 -2.00 0.00 0.00 41.25 36.38 1wk1 s ASN 76 CO 0.60 -0.89 1.11 -2.16 -2.94 0.00 0.00 177.10 172.82 1wk1 s PRO 77 N 1.08 -1.56 -0.09 3.55 0.04 -1.26 -4.76 135.00 132.00 1wk1 s PRO 77 Ca 0.72 -0.18 0.01 0.00 0.04 0.00 0.00 61.00 61.58 1wk1 s PRO 77 Cb -0.47 -1.57 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1wk1 s PRO 77 CO 0.32 -3.91 -0.09 0.34 0.04 0.00 0.00 177.00 173.70 1wk1 s ASP 78 N -3.98 1.89 -0.01 6.66 -1.08 -1.22 -4.89 116.67 114.04 1wk1 s ASP 78 Ca 0.72 -0.28 -0.30 0.00 -0.52 0.00 0.00 52.55 52.17 1wk1 s ASP 78 Cb -0.08 -0.78 -0.06 0.00 -1.46 0.00 0.00 42.92 40.54 1wk1 s ASP 78 CO 0.56 -0.06 1.54 -0.22 0.52 0.00 0.00 175.17 177.50 1wk1 s LEU 79 N 1.26 4.32 -0.73 -1.34 1.98 -1.26 -0.46 118.68 122.44 1wk1 s LEU 79 Ca -0.04 2.22 -0.26 0.00 -2.89 0.00 0.00 54.13 53.17 1wk1 s LEU 79 Cb -0.14 -3.55 -0.08 0.00 0.66 0.00 0.00 46.19 43.08 1wk1 s LEU 79 CO -0.03 -0.83 2.20 -0.22 -1.89 0.00 0.00 176.35 175.58 1wk1 s LEU 80 N 3.07 3.12 -0.24 -0.68 2.96 -0.42 -4.72 118.68 121.76 1wk1 s LEU 80 Ca 0.69 0.10 0.11 0.00 -0.22 0.00 0.00 54.13 54.81 1wk1 s LEU 80 Cb -0.33 -2.54 0.47 0.00 0.50 0.00 0.00 46.19 44.28 1wk1 s LEU 80 CO 0.28 -3.14 1.37 -0.46 -1.32 0.00 0.00 176.35 173.07 1wk1 n ASN 81 N 15.94 2.38 -4.79 3.68 6.94 -1.26 -4.94 115.26 133.21 1wk1 n ASN 81 Ca 0.39 -3.68 -0.38 0.00 -0.02 0.00 0.00 54.58 50.89 1wk1 n ASN 81 Cb 0.48 -0.58 -0.06 0.00 -2.36 0.00 0.00 39.78 37.26 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 -3.17 4.46 0.31 -3.83 -2.07 -1.26 -4.98 119.66 109.12 1wk1 s GLN 82 Ca 0.41 1.07 0.10 0.00 -1.82 0.00 0.00 55.36 55.12 1wk1 s GLN 82 Cb 0.38 -3.12 0.50 0.00 -1.09 0.00 0.00 33.01 29.68 1wk1 s GLN 82 CO -0.01 0.51 1.71 -1.00 -1.32 0.00 0.00 175.29 175.17 1wk1 h PRO 83 N 4.00 0.07 -5.75 9.60 0.13 -2.03 -3.43 132.00 134.59 1wk1 h PRO 83 Ca -0.47 -0.04 -0.60 0.00 -0.87 0.00 0.00 66.00 64.02 1wk1 h PRO 83 Cb 1.20 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 1wk1 h PRO 83 CO 0.66 0.54 -0.24 0.42 -0.23 0.00 0.00 178.00 179.15 1wk1 s ILE 84 N -3.95 5.19 0.09 -3.56 1.01 -1.26 -5.08 121.20 113.63 1wk1 s ILE 84 Ca -0.03 0.75 -0.01 0.00 0.00 0.00 0.00 60.65 61.36 1wk1 s ILE 84 Cb 0.13 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1wk1 s ILE 84 CO 0.75 0.45 0.01 0.42 0.00 0.00 0.00 174.94 176.58 1wk1 s THR 85 N -0.10 0.16 -0.03 2.92 -4.23 -1.26 -4.93 115.64 108.17 1wk1 s THR 85 Ca 0.22 -1.86 0.05 0.00 -1.18 0.00 0.00 61.69 58.91 1wk1 s THR 85 Cb -0.15 -1.79 0.08 0.00 1.34 0.00 0.00 72.50 71.98 1wk1 s THR 85 CO 0.09 -0.73 1.04 -1.22 -0.54 0.00 0.00 174.62 173.26 1wk1 n TYR 86 N 0.01 0.00 -1.53 3.99 4.01 -1.26 -5.00 117.16 117.38 1wk1 n TYR 86 Ca -0.10 -0.63 -0.60 0.00 -0.16 0.00 0.00 57.90 56.42 1wk1 n TYR 86 Cb 0.62 -0.08 -0.09 0.00 -0.31 0.00 0.00 39.34 39.48 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 -0.74 1.61 -0.61 -0.72 5.03 -1.26 -2.81 117.44 117.94 1wk1 n TRP 87 Ca 0.04 0.72 -0.25 0.00 3.03 0.00 0.00 57.50 61.05 1wk1 n TRP 87 Cb 0.36 -2.36 0.15 0.00 -1.03 0.00 0.00 31.31 28.43 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 6.50 -2.42 -1.52 6.99 0.00 0.62 -4.56 120.51 126.13 1wk1 n ALA 88 Ca 0.40 -1.17 -0.46 0.00 0.00 0.00 0.00 53.44 52.20 1wk1 n ALA 88 Cb 0.04 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 1wk1 n ALA 88 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wk1 n ASN 89 N -1.10 2.57 0.00 0.00 0.23 -1.26 -0.55 115.26 115.15 1wk1 n ASN 89 Ca 0.03 0.24 0.00 0.00 -0.53 0.00 0.00 54.58 54.33 1wk1 n ASN 89 Cb 0.48 -1.40 0.00 0.00 -2.08 0.00 0.00 39.78 36.78 1wk1 n ASN 89 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wk1 n GLY 90 N 6.19 3.00 3.73 4.83 0.00 -1.26 -5.05 105.19 116.63 1wk1 n GLY 90 Ca 0.37 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 2.29 0.75 1.61 0.41 0.29 -4.44 118.70 119.61 1wk1 s GLU 91 Ca 0.00 1.76 -0.12 0.00 -0.41 0.00 0.00 54.97 56.21 1wk1 s GLU 91 Cb 0.00 -1.85 0.04 0.00 -1.78 0.00 0.00 34.13 30.54 1wk1 s GLU 91 CO 0.00 -1.72 1.10 -1.25 -0.49 0.00 0.00 175.26 172.90 1wk1 s PRO 92 N -3.83 2.37 -0.08 0.39 0.04 -1.26 -4.59 135.00 128.04 1wk1 s PRO 92 Ca 0.75 1.23 -0.05 0.00 0.04 0.00 0.00 61.00 62.96 1wk1 s PRO 92 Cb -0.29 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1wk1 s PRO 92 CO 0.43 -1.56 0.15 0.45 0.04 0.00 0.00 177.00 176.51 1wk1 s SER 93 N -3.19 6.34 -0.17 6.66 0.15 -1.26 -4.99 113.70 117.23 1wk1 s SER 93 Ca 0.63 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.69 1wk1 s SER 93 Cb -0.18 -2.02 0.18 0.00 -1.71 0.00 0.00 66.02 62.29 1wk1 s SER 93 CO 0.53 0.35 1.59 -0.46 1.20 0.00 0.00 173.24 176.45 1wk1 n ASN 94 N 1.60 4.43 -4.70 5.45 6.94 -1.26 -4.91 115.26 122.80 1wk1 n ASN 94 Ca -0.17 -2.65 -0.42 0.00 -0.02 0.00 0.00 54.58 51.32 1wk1 n ASN 94 Cb 0.54 -0.80 -0.03 0.00 -2.36 0.00 0.00 39.78 37.13 1wk1 n ASN 94 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1wk1 s ASP 95 N 0.48 7.05 0.50 0.53 -1.08 -1.26 -4.92 116.67 117.97 1wk1 s ASP 95 Ca 0.19 1.93 0.28 0.00 -0.52 0.00 0.00 52.55 54.44 1wk1 s ASP 95 Cb 0.16 -2.57 1.19 0.00 -1.46 0.00 0.00 42.92 40.24 1wk1 s ASP 95 CO 0.02 -0.54 1.93 1.55 0.52 0.00 0.00 175.17 178.65 1wk1 h PRO 96 N 7.18 0.00 0.12 4.34 0.13 -2.05 -3.18 132.00 138.54 1wk1 h PRO 96 Ca -0.38 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.40 1wk1 h PRO 96 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1wk1 h PRO 96 CO 0.85 0.13 -1.89 1.79 -0.23 0.00 0.00 178.00 178.65 1wk1 h THR 97 N 0.00 0.69 -3.50 1.56 1.35 -1.99 -3.45 112.91 107.56 1wk1 h THR 97 Ca -0.00 -2.34 -0.61 0.00 -0.55 0.00 0.00 66.41 62.91 1wk1 h THR 97 Cb 0.59 2.50 -0.11 0.00 -1.73 0.00 0.00 68.15 69.40 1wk1 h THR 97 CO 0.02 0.83 0.40 -0.13 -0.25 0.00 0.00 175.52 176.39 1wk1 s ARG 98 N -2.54 3.81 0.00 4.72 0.52 -1.20 -4.26 118.95 120.01 1wk1 s ARG 98 Ca -0.23 0.40 0.00 0.00 -0.52 0.00 0.00 55.73 55.38 1wk1 s ARG 98 Cb 0.06 -3.79 0.00 0.00 0.52 0.00 0.00 34.95 31.74 1wk1 s ARG 98 CO 0.76 -0.82 0.00 1.04 0.02 0.00 0.00 175.30 176.30 1wk1 n GLN 99 N 6.40 0.90 -3.09 3.54 6.02 -1.20 -4.49 117.38 125.45 1wk1 n GLN 99 Ca 0.04 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.69 1wk1 n GLN 99 Cb 0.48 -0.91 -0.06 0.00 1.02 0.00 0.00 30.24 30.77 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 -1.92 4.29 -0.03 0.00 1.01 -1.20 0.45 120.40 123.01 1wk1 s VAL 101 Ca 0.53 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1wk1 s VAL 101 Cb -0.11 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.37 1wk1 s VAL 101 CO 0.18 0.41 -0.08 -0.72 0.00 0.00 0.00 175.10 174.89 1wk1 s TYR 102 N -1.07 0.84 -0.31 5.22 -0.85 -0.57 -3.56 117.35 117.05 1wk1 s TYR 102 Ca 0.19 -0.21 -0.27 0.00 -0.52 0.00 0.00 57.07 56.26 1wk1 s TYR 102 Cb -0.12 -0.62 -0.05 0.00 0.38 0.00 0.00 41.96 41.55 1wk1 s TYR 102 CO 0.09 -0.10 2.26 0.12 -1.52 0.00 0.00 175.55 176.40 1wk1 s PHE 103 N 0.27 1.16 -0.74 -3.49 5.36 0.27 -3.58 117.98 117.22 1wk1 s PHE 103 Ca -0.04 0.87 -0.22 0.00 -0.96 0.00 0.00 56.93 56.58 1wk1 s PHE 103 Cb -0.09 -3.83 0.08 0.00 -0.34 0.00 0.00 43.02 38.85 1wk1 s PHE 103 CO 0.00 -3.54 1.02 0.34 -1.46 0.00 0.00 175.22 171.58 1wk1 s ASP 104 N 9.45 6.30 0.18 6.13 -1.08 0.13 -2.57 116.67 135.20 1wk1 s ASP 104 Ca 0.99 -1.27 0.03 0.00 -0.52 0.00 0.00 52.55 51.78 1wk1 s ASP 104 Cb -0.27 -2.42 0.05 0.00 -1.46 0.00 0.00 42.92 38.82 1wk1 s ASP 104 CO 0.32 -1.35 1.42 1.23 0.52 0.00 0.00 175.17 177.31 1wk1 h GLY 105 N 11.16 0.20 -2.85 2.66 0.00 -1.72 -3.15 103.07 109.37 1wk1 h GLY 105 Ca -0.16 -0.34 -0.21 0.00 0.00 0.00 0.00 47.33 46.62 1wk1 h GLY 105 CO 1.17 0.30 0.27 0.54 0.00 0.00 0.00 176.54 178.82 1wk1 n ARG 106 N -3.69 1.86 -0.21 4.80 1.74 -1.26 -4.24 116.66 115.67 1wk1 n ARG 106 Ca -0.03 -1.50 0.03 0.00 -0.77 0.00 0.00 57.85 55.58 1wk1 n ARG 106 Cb 0.77 -1.64 0.12 0.00 -1.02 0.00 0.00 32.46 30.69 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 -0.20 1.90 0.00 0.55 2.88 -1.19 -4.88 113.62 112.69 1wk1 n SER 107 Ca 0.27 -2.15 0.00 0.00 -1.33 0.00 0.00 58.87 55.65 1wk1 n SER 107 Cb 1.02 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 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 0.53 1.37 3.47 0.46 0.00 -1.26 -4.88 105.19 104.88 1wk1 n GLY 108 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 2.50 -0.14 1.61 1.11 -1.26 -5.07 116.67 115.42 1wk1 s ASP 109 Ca 0.00 -1.57 0.18 0.00 0.18 0.00 0.00 52.55 51.34 1wk1 s ASP 109 Cb 0.00 0.32 -0.26 0.00 1.07 0.00 0.00 42.92 44.04 1wk1 s ASP 109 CO 0.00 -0.83 0.18 2.29 1.18 0.00 0.00 175.17 177.99 1wk1 n LYS 110 N -0.80 0.79 0.09 8.23 2.85 -1.26 -4.19 118.16 123.87 1wk1 n LYS 110 Ca -0.04 -0.06 0.13 0.00 -1.05 0.00 0.00 58.31 57.29 1wk1 n LYS 110 Cb 0.65 -1.49 0.44 0.00 -0.65 0.00 0.00 35.03 33.98 1wk1 n LYS 110 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1wk1 n SER 111 N -2.57 0.69 -1.38 -5.58 2.88 -1.26 -3.30 113.62 103.09 1wk1 n SER 111 Ca -0.23 0.58 -0.10 0.00 -1.33 0.00 0.00 58.87 57.78 1wk1 n SER 111 Cb 0.96 -0.76 0.13 0.00 -0.75 0.00 0.00 64.21 63.79 1wk1 n SER 111 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1wk1 n LYS 112 N -2.16 2.50 0.11 -1.46 5.02 -1.24 -4.10 118.16 116.83 1wk1 n LYS 112 Ca 0.05 -3.62 -0.00 0.00 -2.02 0.00 0.00 58.31 52.72 1wk1 n LYS 112 Cb 0.39 -1.96 -0.03 0.00 -0.02 0.00 0.00 35.03 33.42 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 1.46 1.06 -2.53 -0.18 -1.51 -1.57 -3.37 116.25 109.60 1wk1 h VAL 113 Ca 0.23 -2.53 -0.55 0.00 -1.23 0.00 0.00 66.70 62.62 1wk1 h VAL 113 Cb 1.34 2.51 -0.01 0.00 -2.13 0.00 0.00 31.29 33.00 1wk1 h VAL 113 CO 0.48 0.60 1.18 0.26 -1.23 0.00 0.00 177.57 178.86 1wk1 s TRP 114 N -2.88 1.76 -0.11 5.19 0.52 -1.12 0.22 118.94 122.52 1wk1 s TRP 114 Ca 0.02 0.17 -0.09 0.00 0.02 0.00 0.00 56.10 56.23 1wk1 s TRP 114 Cb 0.08 -4.01 0.04 0.00 -1.15 0.00 0.00 33.47 28.43 1wk1 s TRP 114 CO 0.77 -4.03 0.28 0.99 0.02 0.00 0.00 176.95 174.98 1wk1 s THR 115 N 4.90 -0.01 0.48 2.01 2.01 -1.24 -0.28 115.64 123.51 1wk1 s THR 115 Ca 0.79 0.05 -0.19 0.00 0.31 0.00 0.00 61.69 62.65 1wk1 s THR 115 Cb -0.33 -0.41 -0.09 0.00 0.01 0.00 0.00 72.50 71.67 1wk1 s THR 115 CO 0.33 0.02 0.98 0.42 -0.69 0.00 0.00 174.62 175.68 1wk1 s THR 116 N 0.55 4.29 -0.04 -0.82 -4.23 -1.26 -1.51 115.64 112.62 1wk1 s THR 116 Ca -0.03 1.30 -0.29 0.00 -1.18 0.00 0.00 61.69 61.48 1wk1 s THR 116 Cb -0.05 -3.59 0.11 0.00 1.34 0.00 0.00 72.50 70.31 1wk1 s THR 116 CO -0.03 -0.43 0.91 -0.62 -0.54 0.00 0.00 174.62 173.91 1wk1 s ASP 117 N -2.46 -0.37 0.45 3.99 2.15 0.17 -4.90 116.67 115.70 1wk1 s ASP 117 Ca 0.62 0.11 -0.24 0.00 0.43 0.00 0.00 52.55 53.47 1wk1 s ASP 117 Cb -0.11 0.37 -0.09 0.00 -0.30 0.00 0.00 42.92 42.78 1wk1 s ASP 117 CO 0.22 -0.55 1.12 1.07 -0.17 0.00 0.00 175.17 176.85 1wk1 n THR 118 N -0.00 2.71 0.39 1.71 5.66 -1.26 -2.44 114.28 121.04 1wk1 n THR 118 Ca -0.09 -0.50 -0.06 0.00 -3.05 0.00 0.00 64.05 60.35 1wk1 n THR 118 Cb 0.61 -1.33 0.06 0.00 -1.55 0.00 0.00 70.33 68.11 1wk1 n THR 118 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wk1 n ALA 120 N 0.06 1.72 -2.02 0.00 0.00 -1.26 -3.47 120.51 115.54 1wk1 n ALA 120 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 1wk1 n ALA 120 Cb 0.80 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.22 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 -1.38 3.52 -0.46 0.00 2.01 -1.21 -4.65 115.64 113.46 1wk1 s THR 121 Ca 0.00 0.71 -0.28 0.00 0.31 0.00 0.00 61.69 62.44 1wk1 s THR 121 Cb 0.00 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 1wk1 s THR 121 CO 0.00 -0.05 1.77 -2.16 -0.69 0.00 0.00 174.62 173.49 1wk1 s PRO 122 N 3.66 3.07 0.07 4.92 0.04 -1.26 -4.14 135.00 141.35 1wk1 s PRO 122 Ca 0.72 1.01 -0.02 0.00 0.04 0.00 0.00 61.00 62.76 1wk1 s PRO 122 Cb -0.34 -4.25 -0.04 0.00 0.04 0.00 0.00 34.50 29.91 1wk1 s PRO 122 CO 0.30 -2.18 -0.00 1.03 0.04 0.00 0.00 177.00 176.18 1wk1 s ARG 123 N 6.14 0.68 0.77 4.56 0.52 -1.16 -4.60 118.95 125.85 1wk1 s ARG 123 Ca 0.72 -1.24 -0.11 0.00 -0.52 0.00 0.00 55.73 54.58 1wk1 s ARG 123 Cb -0.17 0.22 0.05 0.00 0.52 0.00 0.00 34.95 35.58 1wk1 s ARG 123 CO 0.28 -0.15 1.09 -1.25 0.02 0.00 0.00 175.30 175.30 1wk1 s PRO 124 N -3.94 2.28 0.19 3.54 0.04 -1.25 -0.49 135.00 135.37 1wk1 s PRO 124 Ca 0.10 1.18 0.04 0.00 0.04 0.00 0.00 61.00 62.36 1wk1 s PRO 124 Cb 0.08 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 1wk1 s PRO 124 CO -0.08 -1.63 0.17 1.97 0.04 0.00 0.00 177.00 177.47 1wk1 n PHE 125 N -3.47 -0.50 -3.90 0.56 -1.74 -1.26 0.16 117.46 107.32 1wk1 n PHE 125 Ca 0.09 -1.60 -0.11 0.00 -0.56 0.00 0.00 57.45 55.27 1wk1 n PHE 125 Cb 0.53 0.18 -0.11 0.00 1.52 0.00 0.00 39.48 41.59 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 -2.77 0.07 -0.19 1.97 1.01 -1.26 -2.68 121.20 117.35 1wk1 s ILE 126 Ca 0.23 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 1wk1 s ILE 126 Cb 0.01 -0.28 -0.01 0.00 0.01 0.00 0.00 42.46 42.19 1wk1 s ILE 126 CO 0.16 -0.30 -0.09 0.00 0.00 0.00 0.00 174.94 174.71 1wk1 s GLN 128 N 1.10 2.56 0.59 0.00 0.74 0.56 0.14 119.66 125.35 1wk1 s GLN 128 Ca 0.01 -0.72 -0.01 0.00 0.05 0.00 0.00 55.36 54.68 1wk1 s GLN 128 Cb -0.15 -2.36 0.04 0.00 1.10 0.00 0.00 33.01 31.64 1wk1 s GLN 128 CO -0.02 0.57 0.84 0.15 -0.55 0.00 0.00 175.29 176.28 1wk1 s LYS 129 N -0.59 2.44 -0.59 1.67 1.02 -1.26 -3.04 119.74 119.38 1wk1 s LYS 129 Ca 0.08 -0.65 -0.04 0.00 0.02 0.00 0.00 55.97 55.38 1wk1 s LYS 129 Cb -0.11 -2.40 0.15 0.00 -0.52 0.00 0.00 37.83 34.95 1wk1 s LYS 129 CO 0.01 -0.86 0.41 -3.38 -0.92 0.00 0.00 175.35 170.61 1wk1 s HIS 130 N -2.89 3.46 -1.23 3.18 -3.43 -1.26 -4.78 115.29 108.33 1wk1 s HIS 130 Ca 0.58 -2.59 -0.05 0.00 -0.80 0.00 0.00 55.06 52.20 1wk1 s HIS 130 Cb -0.10 -3.25 0.05 0.00 -1.43 0.00 0.00 32.58 27.85 1wk1 s HIS 130 CO 0.40 -0.88 0.13 -2.13 -2.00 0.00 0.00 174.74 170.26 1wk1 n ARG 131 N 3.77 -0.91 -2.24 -0.38 3.00 -1.26 -4.81 116.66 113.84 1wk1 n ARG 131 Ca 0.06 0.08 -0.41 0.00 -0.00 0.00 0.00 57.85 57.57 1wk1 n ARG 131 Cb 0.39 -2.92 -0.03 0.00 0.00 0.00 0.00 32.46 29.90 1wk1 n ARG 131 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 1wk1 s TYR 132 N -3.64 3.26 -0.39 -0.14 1.13 -1.26 -5.01 117.35 111.30 1wk1 s TYR 132 Ca 0.18 1.35 0.01 0.00 -1.41 0.00 0.00 57.07 57.20 1wk1 s TYR 132 Cb -0.11 -3.57 0.13 0.00 -1.10 0.00 0.00 41.96 37.32 1wk1 s TYR 132 CO 0.75 -1.64 0.22 0.34 -2.51 0.00 0.00 175.55 172.71 1wk1 s ASP 133 N -0.06 3.36 -0.30 -0.18 2.15 -1.26 -5.07 116.67 115.32 1wk1 s ASP 133 Ca 0.53 -2.35 -0.16 0.00 0.43 0.00 0.00 52.55 51.00 1wk1 s ASP 133 Cb -0.36 -0.73 0.17 0.00 -0.30 0.00 0.00 42.92 41.70 1wk1 s ASP 133 CO 0.42 -0.30 1.06 -0.94 -0.17 0.00 0.00 175.17 175.24 1wk1 s SER 134 N 0.77 -0.46 -1.23 -0.34 1.04 -1.26 -5.08 113.70 107.13 1wk1 s SER 134 Ca 0.17 0.58 -0.19 0.00 0.48 0.00 0.00 55.95 57.00 1wk1 s SER 134 Cb -0.23 1.51 0.07 0.00 0.10 0.00 0.00 66.02 67.46 1wk1 s SER 134 CO -0.01 -0.09 1.67 -0.62 0.98 0.00 0.00 173.24 175.17 1wk1 s ASP 135 N 2.43 6.76 0.25 7.02 2.15 -1.26 -4.87 116.67 129.15 1wk1 s ASP 135 Ca -0.01 -2.22 -0.22 0.00 0.43 0.00 0.00 52.55 50.54 1wk1 s ASP 135 Cb -0.05 -2.58 0.05 0.00 -0.30 0.00 0.00 42.92 40.04 1wk1 s ASP 135 CO -0.17 -1.25 0.84 -1.00 -0.17 0.00 0.00 175.17 173.43 1wk1 s HIS 136 N 4.39 -0.09 0.01 -5.34 3.76 -1.26 -5.18 115.29 111.59 1wk1 s HIS 136 Ca 0.52 -0.35 0.06 0.00 -0.15 0.00 0.00 55.06 55.13 1wk1 s HIS 136 Cb 0.03 0.71 -0.02 0.00 1.11 0.00 0.00 32.58 34.41 1wk1 s HIS 136 CO 0.04 -1.13 -0.17 0.15 -0.85 0.00 0.00 174.74 172.77 1wk1 s LYS 137 N -3.26 1.27 1.15 1.40 3.01 -1.26 -5.15 119.74 116.91 1wk1 s LYS 137 Ca 0.13 -0.73 -0.19 0.00 -1.01 0.00 0.00 55.97 54.17 1wk1 s LYS 137 Cb -0.04 -1.29 0.29 0.00 -1.01 0.00 0.00 37.83 35.78 1wk1 s LYS 137 CO 0.06 0.34 1.02 -0.35 0.51 0.00 0.00 175.35 176.93 1wk1 n PRO 138 N 2.27 -3.01 -3.59 -1.68 -0.04 -1.26 -5.05 135.00 122.64 1wk1 n PRO 138 Ca -0.16 -1.63 -0.29 0.00 -0.04 0.00 0.00 63.50 61.37 1wk1 n PRO 138 Cb 0.54 -1.53 -0.13 0.00 -0.04 0.00 0.00 33.50 32.34 1wk1 n PRO 138 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1wk1 s ASN 139 N -4.26 3.34 0.49 3.54 -0.87 -1.26 -5.02 114.94 110.90 1wk1 s ASN 139 Ca 0.66 -2.36 0.02 0.00 -1.57 0.00 0.00 52.86 49.61 1wk1 s ASN 139 Cb -0.06 -0.72 -0.02 0.00 -0.02 0.00 0.00 41.25 40.43 1wk1 s ASN 139 CO 0.51 -0.30 0.02 0.42 -2.57 0.00 0.00 177.10 175.18 1wk1 s THR 140 N 0.77 1.15 -0.11 1.60 -4.23 -1.26 -5.15 115.64 108.41 1wk1 s THR 140 Ca 0.17 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.67 1wk1 s THR 140 Cb -0.23 -2.25 -0.03 0.00 1.34 0.00 0.00 72.50 71.33 1wk1 s THR 140 CO -0.01 0.00 -0.05 -0.51 -0.54 0.00 0.00 174.62 173.51 1wk1 s ILE 141 N -2.91 3.81 -2.63 2.99 2.07 -1.26 -4.99 121.20 118.28 1wk1 s ILE 141 Ca 0.10 -0.41 0.00 0.00 -1.41 0.00 0.00 60.65 58.93 1wk1 s ILE 141 Cb 0.02 -2.62 0.00 0.00 0.13 0.00 0.00 42.46 40.00 1wk1 s ILE 141 CO 0.06 0.55 0.00 0.61 -1.91 0.00 0.00 174.94 174.24 1wk1 n GLY 142 N 2.90 0.36 3.49 1.50 0.00 -1.26 -5.12 105.19 107.06 1wk1 n GLY 142 Ca -0.18 -1.26 -0.23 0.00 0.00 0.00 0.00 46.02 44.35 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 2.71 0.42 1.61 1.47 -1.26 -4.79 116.67 112.83 1wk1 s ASP 143 Ca 0.00 -1.38 0.06 0.00 1.18 0.00 0.00 52.55 52.42 1wk1 s ASP 143 Cb 0.00 -0.15 -0.07 0.00 -0.34 0.00 0.00 42.92 42.35 1wk1 s ASP 143 CO 0.00 -0.57 0.02 0.00 0.68 0.00 0.00 175.17 175.30 1wk1 s ALA 144 N -3.17 3.28 0.01 2.11 0.00 -1.26 -4.34 121.76 118.40 1wk1 s ALA 144 Ca 0.36 -2.12 0.06 0.00 0.00 0.00 0.00 51.96 50.25 1wk1 s ALA 144 Cb 0.09 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 1wk1 s ALA 144 CO 0.16 -0.11 -0.15 -1.12 0.00 0.00 0.00 175.76 174.53 1wk1 s SER 145 N -3.74 3.98 0.55 0.00 0.01 -1.26 -4.97 113.70 108.28 1wk1 s SER 145 Ca 0.33 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.26 1wk1 s SER 145 Cb 0.09 -0.74 0.00 0.00 0.21 0.00 0.00 66.02 65.58 1wk1 s SER 145 CO 0.17 0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.71 1wk1 n GLY 146 N 1.76 -0.67 3.77 3.44 0.00 -1.26 -4.85 105.19 107.37 1wk1 n GLY 146 Ca -0.16 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 1wk1 n GLY 146 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wk1 s PRO 147 N 0.00 2.39 -0.14 1.61 0.04 -1.26 -5.01 135.00 132.62 1wk1 s PRO 147 Ca 0.00 1.22 -0.05 0.00 0.04 0.00 0.00 61.00 62.22 1wk1 s PRO 147 Cb 0.00 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 1wk1 s PRO 147 CO 0.00 -1.55 -0.17 0.43 0.04 0.00 0.00 177.00 175.75 1wk1 n SER 148 N -3.25 1.58 -4.64 6.66 7.64 -1.26 -4.96 113.62 115.39 1wk1 n SER 148 Ca 0.09 0.10 -0.42 0.00 1.01 0.00 0.00 58.87 59.65 1wk1 n SER 148 Cb 0.53 -0.36 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 1wk1 n SER 148 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wk1 s SER 149 N -6.01 6.90 0.00 6.43 0.01 -1.26 -5.15 113.70 114.62 1wk1 s SER 149 Ca -0.20 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.13 1wk1 s SER 149 Cb 0.07 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1wk1 s SER 149 CO 0.27 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.87