#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 1.34 -0.28 1.61 1.04 -1.26 -5.12 113.70 111.03 1wk1 s SER 2 Ca 0.00 -0.16 -0.14 0.00 0.48 0.00 0.00 55.95 56.12 1wk1 s SER 2 Cb 0.00 -0.55 -0.04 0.00 0.10 0.00 0.00 66.02 65.54 1wk1 s SER 2 CO 0.00 -0.08 0.35 -0.94 0.98 0.00 0.00 173.24 173.55 1wk1 s SER 3 N 1.19 6.22 -1.11 7.02 1.04 -1.26 -4.45 113.70 122.35 1wk1 s SER 3 Ca -0.06 0.19 -0.08 0.00 0.48 0.00 0.00 55.95 56.48 1wk1 s SER 3 Cb -0.14 -2.20 -0.04 0.00 0.10 0.00 0.00 66.02 63.74 1wk1 s SER 3 CO -0.02 -0.19 0.89 0.61 0.98 0.00 0.00 173.24 175.51 1wk1 n GLY 4 N 4.76 -0.94 3.71 7.32 0.00 -1.26 -4.83 105.19 113.96 1wk1 n GLY 4 Ca -0.09 0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.09 3.00 -4.76 1.61 3.41 -1.23 -4.89 113.62 107.67 1wk1 n SER 5 Ca -0.13 1.20 -0.39 0.00 -0.26 0.00 0.00 58.87 59.30 1wk1 n SER 5 Cb 0.63 -1.51 0.01 0.00 -0.26 0.00 0.00 64.21 63.08 1wk1 n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wk1 s SER 6 N -0.13 5.90 0.00 4.04 1.04 -1.26 -4.74 113.70 118.54 1wk1 s SER 6 Ca 0.57 2.64 0.00 0.00 0.48 0.00 0.00 55.95 59.65 1wk1 s SER 6 Cb -0.56 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 62.93 1wk1 s SER 6 CO 0.60 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1wk1 n GLY 7 N 0.62 0.85 3.64 7.32 0.00 -1.26 -4.87 105.19 111.49 1wk1 n GLY 7 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 1wk1 n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wk1 n VAL 8 N -0.29 0.59 -2.53 1.61 0.31 -1.26 -4.93 118.33 111.83 1wk1 n VAL 8 Ca 0.00 -0.22 -0.41 0.00 -0.01 0.00 0.00 64.34 63.69 1wk1 n VAL 8 Cb 0.00 -2.26 -0.04 0.00 -0.91 0.00 0.00 33.84 30.64 1wk1 n VAL 8 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1wk1 s LYS 9 N 4.98 4.58 0.33 5.55 1.02 -1.26 -5.03 119.74 129.90 1wk1 s LYS 9 Ca 0.94 1.69 -0.11 0.00 0.02 0.00 0.00 55.97 58.50 1wk1 s LYS 9 Cb -0.49 -3.31 -0.07 0.00 -0.52 0.00 0.00 37.83 33.44 1wk1 s LYS 9 CO 0.43 0.03 0.69 -0.06 -0.92 0.00 0.00 175.35 175.52 1wk1 s PHE 10 N 0.04 3.42 -1.49 3.18 0.08 -1.26 -4.07 117.98 117.88 1wk1 s PHE 10 Ca 0.51 1.04 -0.12 0.00 0.12 0.00 0.00 56.93 58.47 1wk1 s PHE 10 Cb -0.28 -2.41 0.08 0.00 -0.57 0.00 0.00 43.02 39.84 1wk1 s PHE 10 CO 0.33 0.07 0.84 1.28 -0.10 0.00 0.00 175.22 177.64 1wk1 n LEU 11 N -0.68 -2.31 -3.78 -0.37 4.77 0.25 -4.95 117.00 109.94 1wk1 n LEU 11 Ca 0.02 -0.66 -0.13 0.00 -0.03 0.00 0.00 56.01 55.21 1wk1 n LEU 11 Cb 0.53 -2.48 -0.13 0.00 -2.33 0.00 0.00 43.42 39.01 1wk1 n LEU 11 CO 0.45 0.37 -0.18 0.42 -1.33 0.00 0.00 177.39 177.12 1wk1 s THR 12 N -3.21 -0.02 -0.26 -5.08 -4.23 -1.26 -5.03 115.64 96.55 1wk1 s THR 12 Ca 0.58 0.07 -0.29 0.00 -1.18 0.00 0.00 61.69 60.88 1wk1 s THR 12 Cb -0.29 -0.27 -0.02 0.00 1.34 0.00 0.00 72.50 73.25 1wk1 s THR 12 CO 0.72 0.03 1.66 -0.69 -0.54 0.00 0.00 174.62 175.80 1wk1 s VAL 13 N 0.59 3.63 -0.35 2.29 1.01 -1.26 -4.50 120.40 121.81 1wk1 s VAL 13 Ca -0.04 0.69 -0.22 0.00 0.00 0.00 0.00 61.98 62.41 1wk1 s VAL 13 Cb -0.06 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1wk1 s VAL 13 CO -0.03 -0.35 0.70 0.20 0.00 0.00 0.00 175.10 175.62 1wk1 s ASN 14 N 4.77 6.50 0.23 3.32 0.01 -1.04 -4.94 114.94 123.79 1wk1 s ASN 14 Ca 0.74 0.28 -0.09 0.00 -0.71 0.00 0.00 52.86 53.08 1wk1 s ASN 14 Cb -0.24 -2.36 0.35 0.00 0.41 0.00 0.00 41.25 39.42 1wk1 s ASN 14 CO 0.31 -0.64 1.34 0.47 -1.51 0.00 0.00 177.10 177.07 1wk1 n ASP 15 N 6.19 -0.37 -3.70 -1.22 8.00 -1.26 -4.19 116.55 120.00 1wk1 n ASP 15 Ca 0.01 1.49 -0.39 0.00 0.71 0.00 0.00 54.79 56.61 1wk1 n ASP 15 Cb 0.48 -0.42 -0.12 0.00 -0.02 0.00 0.00 41.12 41.04 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 -5.37 0.35 -4.71 -2.24 8.00 -1.26 -4.58 116.55 106.74 1wk1 n ASP 16 Ca 0.13 0.27 -0.41 0.00 0.71 0.00 0.00 54.79 55.49 1wk1 n ASP 16 Cb 0.41 -0.76 -0.04 0.00 -0.02 0.00 0.00 41.12 40.71 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 6.80 4.93 -0.12 0.53 -4.36 -1.26 -4.46 121.20 123.26 1wk1 s ILE 17 Ca 1.10 1.80 -0.13 0.00 -0.26 0.00 0.00 60.65 63.16 1wk1 s ILE 17 Cb -1.11 -4.20 0.03 0.00 1.25 0.00 0.00 42.46 38.43 1wk1 s ILE 17 CO 0.45 0.18 0.37 -0.76 0.24 0.00 0.00 174.94 175.42 1wk1 s LEU 18 N 1.04 0.60 1.13 0.37 1.43 0.41 -4.59 118.68 119.08 1wk1 s LEU 18 Ca 0.46 0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 54.09 1wk1 s LEU 18 Cb -0.19 1.29 0.22 0.00 0.03 0.00 0.00 46.19 47.53 1wk1 s LEU 18 CO 0.23 -0.17 0.74 -1.54 0.23 0.00 0.00 176.35 175.83 1wk1 n SER 19 N 2.67 -1.76 -0.05 2.29 3.41 -1.25 -3.20 113.62 115.73 1wk1 n SER 19 Ca -0.14 -0.08 -0.08 0.00 -0.26 0.00 0.00 58.87 58.31 1wk1 n SER 19 Cb 0.57 -1.20 -0.02 0.00 -0.26 0.00 0.00 64.21 63.31 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 -2.42 -0.10 0.00 4.33 4.05 -1.80 0.60 114.93 119.59 1wk1 h MET 20 Ca -0.57 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.85 1wk1 h MET 20 Cb 1.33 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.16 1wk1 h MET 20 CO 0.45 -0.07 0.00 -0.35 0.23 0.00 0.00 176.91 177.17 1wk1 n PRO 21 N -5.29 0.30 -0.06 0.39 -0.04 -1.26 -2.00 135.00 127.04 1wk1 n PRO 21 Ca -0.01 0.10 -0.07 0.00 -0.04 0.00 0.00 63.50 63.48 1wk1 n PRO 21 Cb 0.21 -1.50 -0.09 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 -1.20 1.81 -0.03 0.54 6.02 0.21 -4.38 117.38 120.36 1wk1 n GLN 22 Ca 0.08 0.01 -0.08 0.00 -0.01 0.00 0.00 57.00 57.00 1wk1 n GLN 22 Cb 0.10 -1.31 -0.07 0.00 1.02 0.00 0.00 30.24 29.98 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 0.51 -0.06 -0.99 -1.58 0.00 0.34 -2.77 119.26 114.72 1wk1 h ALA 23 Ca -0.33 -0.24 0.23 0.00 0.00 0.00 0.00 54.91 54.57 1wk1 h ALA 23 Cb 1.71 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.44 1wk1 h ALA 23 CO 0.01 -0.08 0.63 0.07 0.00 0.00 0.00 179.25 179.88 1wk1 h ARG 24 N -0.97 0.47 0.00 0.00 0.11 -1.63 0.47 114.38 112.82 1wk1 h ARG 24 Ca -0.01 -0.03 -0.13 0.00 0.10 0.00 0.00 59.98 59.91 1wk1 h ARG 24 Cb 0.49 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.45 1wk1 h ARG 24 CO 0.01 0.31 -0.64 -0.97 0.10 0.00 0.00 179.97 178.78 1wk1 h ASN 25 N 0.49 0.00 0.49 0.08 -1.24 -1.76 -3.21 115.58 110.42 1wk1 h ASN 25 Ca 0.55 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.54 1wk1 h ASN 25 Cb 1.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.31 1wk1 h ASN 25 CO -0.28 0.64 -0.24 0.15 -1.29 0.00 0.00 177.43 176.42 1wk1 h PHE 26 N 0.00 -0.61 -0.89 0.67 3.04 0.20 -2.83 116.94 116.51 1wk1 h PHE 26 Ca -0.01 -0.01 0.24 0.00 3.98 0.00 0.00 57.97 62.17 1wk1 h PHE 26 Cb 1.26 0.20 -0.16 0.00 2.56 0.00 0.00 35.95 39.81 1wk1 h PHE 26 CO 0.00 -0.38 0.12 0.00 -2.02 0.00 0.00 178.31 176.03 1wk1 h ALA 28 N 1.85 -0.27 -0.88 0.00 0.00 -1.29 0.55 119.26 119.21 1wk1 h ALA 28 Ca 0.55 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.56 1wk1 h ALA 28 Cb 1.10 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 1wk1 h ALA 28 CO -0.76 -0.68 0.50 1.03 0.00 0.00 0.00 179.25 179.34 1wk1 h SER 29 N -0.32 0.67 -0.06 0.00 0.87 -0.53 -0.65 113.55 113.53 1wk1 h SER 29 Ca 0.03 0.07 -0.14 0.00 -1.23 0.00 0.00 61.79 60.52 1wk1 h SER 29 Cb 0.34 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1wk1 h SER 29 CO -0.10 0.33 -0.42 0.00 -0.53 0.00 0.00 176.83 176.11 1wk1 h ALA 30 N 1.53 0.81 0.00 6.23 0.00 -0.76 -3.47 119.26 123.60 1wk1 h ALA 30 Ca 0.46 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1wk1 h ALA 30 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1wk1 h ALA 30 CO -0.31 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1wk1 n GLY 31 N 0.03 0.73 0.00 0.00 0.00 0.42 -5.02 105.19 101.35 1wk1 n GLY 31 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 2.77 3.56 -0.02 0.00 0.16 -4.83 105.19 106.84 1wk1 n GLY 32 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.29 -0.40 0.26 1.61 -0.85 -1.11 -1.57 117.35 113.00 1wk1 s TYR 33 Ca 0.00 0.13 -0.29 0.00 -0.52 0.00 0.00 57.07 56.40 1wk1 s TYR 33 Cb 0.00 0.60 -0.14 0.00 0.38 0.00 0.00 41.96 42.79 1wk1 s TYR 33 CO 0.00 -0.89 1.03 1.28 -1.52 0.00 0.00 175.55 175.45 1wk1 n LEU 34 N -0.38 1.66 -4.65 -3.49 4.77 -1.26 0.09 117.00 113.74 1wk1 n LEU 34 Ca -0.12 1.17 -0.43 0.00 -0.03 0.00 0.00 56.01 56.61 1wk1 n LEU 34 Cb 0.63 -1.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.42 1wk1 n LEU 34 CO 0.13 -1.42 0.84 0.00 -1.33 0.00 0.00 177.39 175.60 1wk1 s ALA 35 N -0.88 3.67 0.43 -1.18 0.00 -0.48 -4.57 121.76 118.76 1wk1 s ALA 35 Ca 0.62 0.08 -0.22 0.00 0.00 0.00 0.00 51.96 52.43 1wk1 s ALA 35 Cb -0.73 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 18.82 1wk1 s ALA 35 CO 0.58 -1.02 0.99 -0.51 0.00 0.00 0.00 175.76 175.80 1wk1 s ASP 36 N 1.25 6.78 -0.86 0.00 1.01 -1.26 -2.91 116.67 120.68 1wk1 s ASP 36 Ca 0.41 1.82 -0.06 0.00 0.71 0.00 0.00 52.55 55.43 1wk1 s ASP 36 Cb -0.15 -2.56 0.22 0.00 1.01 0.00 0.00 42.92 41.44 1wk1 s ASP 36 CO 0.07 -0.47 0.76 -1.81 0.21 0.00 0.00 175.17 173.92 1wk1 s ASP 37 N -1.98 6.23 -0.36 0.27 1.11 -1.26 -4.93 116.67 115.75 1wk1 s ASP 37 Ca 0.62 -3.27 0.03 0.00 0.18 0.00 0.00 52.55 50.11 1wk1 s ASP 37 Cb -0.14 -2.02 0.11 0.00 1.07 0.00 0.00 42.92 41.94 1wk1 s ASP 37 CO 0.18 -0.33 0.09 -0.76 1.18 0.00 0.00 175.17 175.53 1wk1 s LEU 38 N -0.71 4.27 0.00 1.23 1.43 -1.26 -4.88 118.68 118.75 1wk1 s LEU 38 Ca 0.24 -2.21 0.00 0.00 -1.03 0.00 0.00 54.13 51.13 1wk1 s LEU 38 Cb -0.12 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.61 1wk1 s LEU 38 CO -0.09 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 176.74 1wk1 n GLY 39 N 4.17 4.01 0.33 -3.19 0.00 -1.26 -4.69 105.19 104.56 1wk1 n GLY 39 Ca 0.03 -1.31 0.06 0.00 0.00 0.00 0.00 46.02 44.81 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 0.73 0.34 1.61 3.32 -1.98 0.31 116.42 120.75 1wk1 h ASP 40 Ca 0.00 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1wk1 h ASP 40 Cb 0.00 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1wk1 h ASP 40 CO 0.00 0.38 -0.21 -0.78 -1.72 0.00 0.00 179.24 176.90 1wk1 h ASP 41 N 0.82 0.00 0.45 6.45 1.82 -1.98 0.23 116.42 124.21 1wk1 h ASP 41 Ca 0.45 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.79 1wk1 h ASP 41 Cb 0.50 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.50 1wk1 h ASP 41 CO -0.29 0.21 -1.52 0.50 -1.61 0.00 0.00 179.24 176.54 1wk1 h LYS 42 N 0.00 0.26 0.06 0.28 1.63 -1.03 -2.71 116.57 115.05 1wk1 h LYS 42 Ca -0.00 -0.44 -0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1wk1 h LYS 42 Cb 0.44 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 1wk1 h LYS 42 CO 0.03 1.13 -0.03 -0.97 -3.45 0.00 0.00 179.45 176.15 1wk1 h ASN 43 N 0.07 -0.07 0.10 4.20 -1.24 -0.24 -3.06 115.58 115.35 1wk1 h ASN 43 Ca -0.24 -0.57 -0.05 0.00 0.71 0.00 0.00 56.30 56.15 1wk1 h ASN 43 Cb 2.02 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 41.08 1wk1 h ASN 43 CO 0.17 0.63 -0.16 -0.55 -1.29 0.00 0.00 177.43 176.22 1wk1 h ASN 44 N -0.87 0.12 0.14 1.15 7.08 -0.73 -2.36 115.58 120.12 1wk1 h ASN 44 Ca -0.01 -0.02 -0.01 0.00 -3.08 0.00 0.00 56.30 53.18 1wk1 h ASN 44 Cb 0.63 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.84 1wk1 h ASN 44 CO 0.01 0.30 -0.07 0.15 -2.08 0.00 0.00 177.43 175.75 1wk1 h PHE 45 N 0.13 -0.18 -0.65 4.14 3.04 -1.55 -3.02 116.94 118.85 1wk1 h PHE 45 Ca 0.03 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 1wk1 h PHE 45 Cb 0.37 0.06 -0.03 0.00 2.56 0.00 0.00 35.95 38.91 1wk1 h PHE 45 CO 0.00 -0.04 0.29 1.88 -2.02 0.00 0.00 178.31 178.42 1wk1 h TYR 46 N -0.28 0.95 -1.39 0.41 0.05 -1.41 -2.67 116.97 112.65 1wk1 h TYR 46 Ca -0.02 -0.06 0.47 0.00 0.05 0.00 0.00 58.73 59.17 1wk1 h TYR 46 Cb 0.22 -0.29 -0.13 0.00 1.01 0.00 0.00 36.73 37.53 1wk1 h TYR 46 CO -0.04 0.73 0.90 1.03 -1.05 0.00 0.00 178.16 179.73 1wk1 h SER 47 N 0.90 0.21 0.19 3.88 0.87 -1.29 0.58 113.55 118.89 1wk1 h SER 47 Ca 0.22 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.91 1wk1 h SER 47 Cb 0.16 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1wk1 h SER 47 CO -0.02 -0.22 -0.09 0.28 -0.53 0.00 0.00 176.83 176.24 1wk1 h SER 48 N 0.04 -0.22 0.03 6.23 0.02 -1.50 -3.09 113.55 115.05 1wk1 h SER 48 Ca 0.86 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.82 1wk1 h SER 48 Cb 2.78 0.06 0.00 0.00 0.14 0.00 0.00 62.40 65.38 1wk1 h SER 48 CO -0.43 -0.12 0.00 0.16 -1.14 0.00 0.00 176.83 175.30 1wk1 h ILE 49 N -0.32 0.00 -0.23 3.27 3.07 -1.25 -0.89 117.51 121.16 1wk1 h ILE 49 Ca -0.03 -0.01 -0.05 0.00 1.55 0.00 0.00 64.86 66.32 1wk1 h ILE 49 Cb 0.20 0.98 -0.03 0.00 -0.27 0.00 0.00 36.82 37.70 1wk1 h ILE 49 CO 0.04 0.00 0.07 0.00 -1.05 0.00 0.00 178.15 177.21 1wk1 n ALA 50 N -2.06 3.13 -1.37 0.16 0.00 0.19 -4.88 120.51 115.67 1wk1 n ALA 50 Ca -0.03 -0.72 -0.53 0.00 0.00 0.00 0.00 53.44 52.16 1wk1 n ALA 50 Cb 0.07 -1.07 -0.10 0.00 0.00 0.00 0.00 19.45 18.35 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 0.13 0.55 -3.95 0.00 0.00 -0.34 0.06 120.51 116.96 1wk1 n ALA 51 Ca 0.12 -0.01 -0.32 0.00 0.00 0.00 0.00 53.44 53.23 1wk1 n ALA 51 Cb 0.66 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 1wk1 n ALA 51 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wk1 n ASN 52 N 9.11 -3.05 -4.03 0.00 6.94 -1.26 -4.90 115.26 118.07 1wk1 n ASN 52 Ca 0.51 -0.79 -0.24 0.00 -0.02 0.00 0.00 54.58 54.04 1wk1 n ASN 52 Cb 0.09 -2.53 -0.16 0.00 -2.36 0.00 0.00 39.78 34.81 1wk1 n ASN 52 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1wk1 s THR 53 N -3.10 1.10 -0.25 5.53 2.01 0.11 -4.61 115.64 116.43 1wk1 s THR 53 Ca 0.63 -0.48 -0.07 0.00 0.31 0.00 0.00 61.69 62.09 1wk1 s THR 53 Cb -0.35 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.14 1wk1 s THR 53 CO 0.77 0.34 0.06 -1.10 -0.69 0.00 0.00 174.62 174.00 1wk1 s GLN 54 N 0.56 3.51 0.20 4.92 -0.21 -1.26 -1.37 119.66 126.01 1wk1 s GLN 54 Ca -0.12 -0.57 0.03 0.00 0.02 0.00 0.00 55.36 54.72 1wk1 s GLN 54 Cb -0.15 -3.29 -0.05 0.00 1.00 0.00 0.00 33.01 30.52 1wk1 s GLN 54 CO 0.03 -0.24 -0.03 -0.59 -2.12 0.00 0.00 175.29 172.34 1wk1 s PHE 55 N 1.58 1.42 0.70 0.91 -0.71 -0.90 -3.96 117.98 117.02 1wk1 s PHE 55 Ca 0.06 -0.90 -0.11 0.00 -1.04 0.00 0.00 56.93 54.93 1wk1 s PHE 55 Cb -0.15 -0.80 0.01 0.00 -1.21 0.00 0.00 43.02 40.87 1wk1 s PHE 55 CO 0.02 -0.04 1.09 -1.58 -1.34 0.00 0.00 175.22 173.37 1wk1 s TRP 56 N -3.44 3.30 0.34 3.49 0.52 1.00 0.14 118.94 124.28 1wk1 s TRP 56 Ca 0.25 1.11 0.07 0.00 0.02 0.00 0.00 56.10 57.55 1wk1 s TRP 56 Cb 0.05 -3.02 -0.03 0.00 -1.15 0.00 0.00 33.47 29.32 1wk1 s TRP 56 CO 0.06 -1.19 0.26 0.44 0.02 0.00 0.00 176.95 176.54 1wk1 n ILE 57 N -3.03 0.00 0.31 2.03 -5.35 -1.21 -4.29 119.36 107.83 1wk1 n ILE 57 Ca 0.07 -2.40 0.16 0.00 -0.27 0.00 0.00 62.75 60.31 1wk1 n ILE 57 Cb 0.56 1.16 0.69 0.00 -1.74 0.00 0.00 39.64 40.31 1wk1 n ILE 57 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1wk1 h GLY 58 N 1.97 0.00 -4.78 3.28 0.00 -1.77 -3.43 103.07 98.33 1wk1 h GLY 58 Ca -0.24 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.55 1wk1 h GLY 58 CO 0.36 0.00 0.77 -2.27 0.00 0.00 0.00 176.54 175.39 1wk1 s LEU 59 N -5.54 4.32 -0.24 3.11 2.96 -1.26 -0.66 118.68 121.37 1wk1 s LEU 59 Ca 0.01 2.05 -0.20 0.00 -0.22 0.00 0.00 54.13 55.77 1wk1 s LEU 59 Cb 0.09 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 43.28 1wk1 s LEU 59 CO 0.46 -0.66 0.62 0.72 -1.32 0.00 0.00 176.35 176.17 1wk1 s PHE 60 N 2.13 -0.75 0.50 5.38 -0.12 -0.53 -3.12 117.98 121.47 1wk1 s PHE 60 Ca 0.62 1.73 -0.20 0.00 -0.05 0.00 0.00 56.93 59.03 1wk1 s PHE 60 Cb -0.30 0.31 -0.08 0.00 -0.63 0.00 0.00 43.02 42.32 1wk1 s PHE 60 CO 0.26 -0.37 1.06 0.21 -0.05 0.00 0.00 175.22 176.33 1wk1 s LYS 61 N 0.63 3.70 0.40 1.99 2.20 -0.22 -0.36 119.74 128.09 1wk1 s LYS 61 Ca -0.02 1.40 0.07 0.00 -0.36 0.00 0.00 55.97 57.07 1wk1 s LYS 61 Cb -0.05 -2.07 -0.05 0.00 -1.51 0.00 0.00 37.83 34.14 1wk1 s LYS 61 CO -0.04 -0.53 0.16 1.21 -0.36 0.00 0.00 175.35 175.79 1wk1 s ASN 62 N -1.97 4.39 0.20 1.43 3.84 -0.06 -4.83 114.94 117.94 1wk1 s ASN 62 Ca 0.68 -1.07 -0.13 0.00 0.21 0.00 0.00 52.86 52.55 1wk1 s ASN 62 Cb -0.18 -0.49 0.23 0.00 -0.55 0.00 0.00 41.25 40.26 1wk1 s ASN 62 CO 0.22 -0.50 1.66 0.28 -2.79 0.00 0.00 177.10 175.97 1wk1 h SER 63 N 1.48 -0.32 -1.06 -4.21 0.02 -1.97 0.13 113.55 107.62 1wk1 h SER 63 Ca -0.43 0.15 0.28 0.00 -0.84 0.00 0.00 61.79 60.94 1wk1 h SER 63 Cb 1.25 0.27 -0.10 0.00 0.14 0.00 0.00 62.40 63.96 1wk1 h SER 63 CO 0.70 -0.12 0.67 0.44 -1.14 0.00 0.00 176.83 177.38 1wk1 h ASP 64 N 0.08 0.46 0.00 3.07 3.32 -2.04 -3.44 116.42 117.87 1wk1 h ASP 64 Ca 0.28 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1wk1 h ASP 64 Cb 0.45 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1wk1 h ASP 64 CO -0.50 0.06 0.00 0.61 -1.72 0.00 0.00 179.24 177.69 1wk1 n GLY 65 N -1.45 1.04 3.89 2.75 0.00 0.44 -5.12 105.19 106.74 1wk1 n GLY 65 Ca 0.27 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.21 3.23 -0.11 1.61 -0.21 -1.26 -4.80 119.66 117.91 1wk1 s GLN 66 Ca 0.00 -0.75 -0.23 0.00 0.02 0.00 0.00 55.36 54.40 1wk1 s GLN 66 Cb 0.00 -2.82 -0.03 0.00 1.00 0.00 0.00 33.01 31.16 1wk1 s GLN 66 CO 0.00 0.48 0.68 -0.06 -2.12 0.00 0.00 175.29 174.27 1wk1 s PHE 67 N -1.83 3.52 0.53 0.91 0.08 -1.26 -0.88 117.98 119.06 1wk1 s PHE 67 Ca 0.33 1.16 0.01 0.00 0.12 0.00 0.00 56.93 58.55 1wk1 s PHE 67 Cb -0.10 -2.80 0.01 0.00 -0.57 0.00 0.00 43.02 39.56 1wk1 s PHE 67 CO 0.27 0.01 0.10 0.71 -0.10 0.00 0.00 175.22 176.21 1wk1 s TYR 68 N 1.13 1.70 0.34 0.36 1.51 0.52 -0.12 117.35 122.78 1wk1 s TYR 68 Ca 0.35 -0.97 0.09 0.00 -1.01 0.00 0.00 57.07 55.52 1wk1 s TYR 68 Cb -0.17 -1.66 -0.05 0.00 -0.11 0.00 0.00 41.96 39.97 1wk1 s TYR 68 CO 0.15 0.02 0.05 -1.58 -1.11 0.00 0.00 175.55 173.08 1wk1 s TRP 69 N -2.88 2.60 -0.31 2.71 0.52 0.12 -1.45 118.94 120.25 1wk1 s TRP 69 Ca 0.09 -0.42 -0.14 0.00 0.02 0.00 0.00 56.10 55.65 1wk1 s TRP 69 Cb -0.00 -1.54 -0.03 0.00 -1.15 0.00 0.00 33.47 30.75 1wk1 s TRP 69 CO 0.05 0.43 0.30 0.34 0.02 0.00 0.00 176.95 178.10 1wk1 s ASP 70 N -3.76 6.13 -0.18 2.95 2.15 0.16 -3.52 116.67 120.61 1wk1 s ASP 70 Ca 0.36 -0.12 0.14 0.00 0.43 0.00 0.00 52.55 53.35 1wk1 s ASP 70 Cb -0.01 -2.17 0.37 0.00 -0.30 0.00 0.00 42.92 40.81 1wk1 s ASP 70 CO 0.20 -0.22 1.20 0.54 -0.17 0.00 0.00 175.17 176.72 1wk1 n ARG 71 N 5.25 1.48 0.00 4.34 5.12 -1.26 -4.77 116.66 126.82 1wk1 n ARG 71 Ca -0.11 -3.02 0.00 0.00 -1.93 0.00 0.00 57.85 52.79 1wk1 n ARG 71 Cb 0.50 -1.58 0.00 0.00 -1.16 0.00 0.00 32.46 30.23 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 -1.24 -0.82 3.57 -0.13 0.00 -1.26 -4.61 105.19 100.70 1wk1 n GLY 72 Ca 0.18 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.41 3.62 0.00 1.61 2.00 -1.26 -4.11 119.66 121.10 1wk1 s GLN 73 Ca 0.00 0.24 0.00 0.00 -2.00 0.00 0.00 55.36 53.60 1wk1 s GLN 73 Cb 0.00 -3.88 0.00 0.00 0.80 0.00 0.00 33.01 29.93 1wk1 s GLN 73 CO 0.00 -1.09 0.00 0.41 -0.50 0.00 0.00 175.29 174.11 1wk1 n GLY 74 N 4.76 1.97 3.47 2.59 0.00 -1.26 -5.00 105.19 111.72 1wk1 n GLY 74 Ca 0.05 -0.38 -0.46 0.00 0.00 0.00 0.00 46.02 45.24 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 1.91 -1.67 -0.61 2.08 -1.26 -4.77 119.36 115.03 1wk1 n ILE 75 Ca 0.00 -0.50 -0.44 0.00 0.56 0.00 0.00 62.75 62.37 1wk1 n ILE 75 Cb 0.00 -0.41 -0.03 0.00 -0.75 0.00 0.00 39.64 38.44 1wk1 n ILE 75 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1wk1 n ASN 76 N 1.66 3.94 -2.58 4.38 0.23 -1.26 -4.67 115.26 116.96 1wk1 n ASN 76 Ca 0.14 0.95 0.00 0.00 -0.53 0.00 0.00 54.58 55.14 1wk1 n ASN 76 Cb 0.30 -1.49 0.00 0.00 -2.08 0.00 0.00 39.78 36.50 1wk1 n ASN 76 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1wk1 n PRO 77 N 6.71 -0.89 -4.02 -0.53 -0.04 -1.26 -4.71 135.00 130.25 1wk1 n PRO 77 Ca 0.20 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.41 1wk1 n PRO 77 Cb 0.37 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.66 1wk1 n PRO 77 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1wk1 s ASP 78 N -1.52 1.81 0.04 3.54 2.15 -1.23 -4.87 116.67 116.59 1wk1 s ASP 78 Ca 0.00 -0.23 -0.30 0.00 0.43 0.00 0.00 52.55 52.45 1wk1 s ASP 78 Cb 0.00 -0.70 -0.07 0.00 -0.30 0.00 0.00 42.92 41.85 1wk1 s ASP 78 CO 0.00 -0.10 1.62 -0.22 -0.17 0.00 0.00 175.17 176.30 1wk1 s LEU 79 N 1.48 4.35 -0.65 -1.34 1.98 -1.26 0.12 118.68 123.36 1wk1 s LEU 79 Ca -0.00 2.40 -0.26 0.00 -2.89 0.00 0.00 54.13 53.37 1wk1 s LEU 79 Cb -0.13 -3.56 -0.07 0.00 0.66 0.00 0.00 46.19 43.10 1wk1 s LEU 79 CO -0.04 -0.87 2.18 -0.22 -1.89 0.00 0.00 176.35 175.50 1wk1 s LEU 80 N 2.87 3.22 0.00 -0.68 2.96 0.82 -4.62 118.68 123.26 1wk1 s LEU 80 Ca 0.73 0.37 0.00 0.00 -0.22 0.00 0.00 54.13 55.01 1wk1 s LEU 80 Cb -0.38 -2.53 0.00 0.00 0.50 0.00 0.00 46.19 43.79 1wk1 s LEU 80 CO 0.31 -2.92 0.05 -3.20 -1.32 0.00 0.00 176.35 169.27 1wk1 n ASN 81 N 15.25 0.10 -4.42 3.68 5.15 -1.26 -4.88 115.26 128.88 1wk1 n ASN 81 Ca 0.35 -0.53 -0.47 0.00 -0.60 0.00 0.00 54.58 53.32 1wk1 n ASN 81 Cb 0.50 0.86 -0.02 0.00 -0.53 0.00 0.00 39.78 40.59 1wk1 n ASN 81 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wk1 n GLN 82 N -0.86 0.21 0.28 1.20 10.64 -1.26 -4.83 117.38 122.76 1wk1 n GLN 82 Ca 0.00 0.07 0.17 0.00 -1.83 0.00 0.00 57.00 55.42 1wk1 n GLN 82 Cb 0.00 -1.14 0.71 0.00 -0.86 0.00 0.00 30.24 28.95 1wk1 n GLN 82 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 1wk1 h PRO 83 N 1.09 0.00 -6.21 2.61 0.13 -2.02 -3.43 132.00 124.17 1wk1 h PRO 83 Ca -0.31 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.14 1wk1 h PRO 83 Cb 1.42 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.32 1wk1 h PRO 83 CO 0.57 0.00 -0.76 0.42 -0.23 0.00 0.00 178.00 177.99 1wk1 s ILE 84 N -3.68 3.10 0.24 -3.56 1.01 -1.26 -5.13 121.20 111.92 1wk1 s ILE 84 Ca 0.01 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1wk1 s ILE 84 Cb 0.09 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1wk1 s ILE 84 CO 0.53 0.58 0.15 0.42 0.00 0.00 0.00 174.94 176.62 1wk1 s THR 85 N -0.62 0.14 -0.05 2.92 -4.23 -1.26 -4.97 115.64 107.57 1wk1 s THR 85 Ca 0.09 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.68 1wk1 s THR 85 Cb -0.11 -2.53 0.12 0.00 1.34 0.00 0.00 72.50 71.32 1wk1 s THR 85 CO 0.01 0.00 1.00 -1.22 -0.54 0.00 0.00 174.62 173.87 1wk1 n TYR 86 N -0.39 0.00 -1.58 3.99 4.01 -1.26 -4.99 117.16 116.94 1wk1 n TYR 86 Ca 0.02 -0.56 -0.57 0.00 -0.16 0.00 0.00 57.90 56.63 1wk1 n TYR 86 Cb 0.65 -0.08 -0.07 0.00 -0.31 0.00 0.00 39.34 39.53 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 -0.73 1.22 -0.33 -0.72 5.03 -1.26 -2.72 117.44 117.92 1wk1 n TRP 87 Ca 0.06 0.85 -0.25 0.00 3.03 0.00 0.00 57.50 61.19 1wk1 n TRP 87 Cb 0.51 -2.23 0.24 0.00 -1.03 0.00 0.00 31.31 28.79 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 2.49 -4.06 -1.55 6.99 0.00 0.68 -4.61 120.51 120.45 1wk1 n ALA 88 Ca 0.21 -1.28 -0.45 0.00 0.00 0.00 0.00 53.44 51.92 1wk1 n ALA 88 Cb 0.12 -0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1wk1 n ALA 88 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wk1 n ASN 89 N -5.20 2.85 0.00 0.00 3.02 -1.26 -0.99 115.26 113.68 1wk1 n ASN 89 Ca 0.12 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1wk1 n ASN 89 Cb 0.49 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 1wk1 n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wk1 n GLY 90 N 6.02 2.90 3.66 7.41 0.00 -1.26 -5.04 105.19 118.88 1wk1 n GLY 90 Ca 0.34 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 1wk1 n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wk1 n GLU 91 N 0.00 0.47 -2.26 1.61 4.71 -0.16 -4.38 120.64 120.64 1wk1 n GLU 91 Ca 0.00 0.23 -0.39 0.00 -0.01 0.00 0.00 57.16 56.99 1wk1 n GLU 91 Cb 0.00 -2.36 -0.02 0.00 -1.01 0.00 0.00 31.44 28.06 1wk1 n GLU 91 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1wk1 s PRO 92 N -3.65 4.06 0.46 3.49 0.04 -1.26 -4.61 135.00 133.52 1wk1 s PRO 92 Ca 0.75 1.90 -0.21 0.00 0.04 0.00 0.00 61.00 63.47 1wk1 s PRO 92 Cb -0.33 -2.71 -0.09 0.00 0.04 0.00 0.00 34.50 31.42 1wk1 s PRO 92 CO 0.49 -0.33 1.03 0.45 0.04 0.00 0.00 177.00 178.68 1wk1 s SER 93 N -1.05 6.52 -0.71 6.66 0.15 -1.26 -4.96 113.70 119.04 1wk1 s SER 93 Ca 0.57 1.93 -0.02 0.00 0.70 0.00 0.00 55.95 59.13 1wk1 s SER 93 Cb -0.32 -2.56 0.42 0.00 -1.71 0.00 0.00 66.02 61.85 1wk1 s SER 93 CO 0.40 -0.66 2.01 -0.46 1.20 0.00 0.00 173.24 175.74 1wk1 n ASN 94 N -0.70 7.58 -4.73 5.45 6.94 -1.26 -4.97 115.26 123.58 1wk1 n ASN 94 Ca 0.08 -3.80 -0.37 0.00 -0.02 0.00 0.00 54.58 50.47 1wk1 n ASN 94 Cb 0.52 -0.99 -0.07 0.00 -2.36 0.00 0.00 39.78 36.88 1wk1 n ASN 94 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1wk1 s ASP 95 N -1.67 6.51 0.53 0.53 1.11 -1.26 -4.97 116.67 117.45 1wk1 s ASP 95 Ca 0.61 0.60 0.32 0.00 0.18 0.00 0.00 52.55 54.25 1wk1 s ASP 95 Cb 0.49 -2.21 1.33 0.00 1.07 0.00 0.00 42.92 43.59 1wk1 s ASP 95 CO -0.13 0.07 1.97 1.55 1.18 0.00 0.00 175.17 179.82 1wk1 h PRO 96 N 6.68 0.00 0.18 8.23 0.13 -2.05 -3.04 132.00 142.14 1wk1 h PRO 96 Ca -0.41 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.40 1wk1 h PRO 96 Cb 1.17 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 1wk1 h PRO 96 CO 0.76 0.05 -1.50 1.79 -0.23 0.00 0.00 178.00 178.86 1wk1 h THR 97 N 0.00 1.22 -3.60 1.56 1.35 -1.99 -3.44 112.91 108.02 1wk1 h THR 97 Ca -0.00 -2.76 -0.63 0.00 -0.55 0.00 0.00 66.41 62.46 1wk1 h THR 97 Cb 0.53 2.89 -0.14 0.00 -1.73 0.00 0.00 68.15 69.70 1wk1 h THR 97 CO 0.01 0.84 -0.03 -0.13 -0.25 0.00 0.00 175.52 175.95 1wk1 s ARG 98 N -2.61 3.84 0.00 4.72 0.52 -1.15 -4.30 118.95 119.97 1wk1 s ARG 98 Ca -0.09 0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.19 1wk1 s ARG 98 Cb 0.06 -3.73 0.00 0.00 0.52 0.00 0.00 34.95 31.79 1wk1 s ARG 98 CO 0.89 -0.50 0.00 1.04 0.02 0.00 0.00 175.30 176.75 1wk1 n GLN 99 N 5.66 1.79 -2.42 3.54 6.02 -1.17 -4.60 117.38 126.21 1wk1 n GLN 99 Ca -0.04 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.70 1wk1 n GLN 99 Cb 0.49 -1.00 0.04 0.00 1.02 0.00 0.00 30.24 30.80 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 -3.01 1.23 -0.04 0.00 1.01 -1.18 -0.12 120.40 118.30 1wk1 s VAL 101 Ca 0.56 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1wk1 s VAL 101 Cb -0.11 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.24 1wk1 s VAL 101 CO 0.43 0.31 -0.13 -0.72 0.00 0.00 0.00 175.10 175.00 1wk1 s TYR 102 N -0.42 1.30 -0.21 5.22 -0.85 -0.50 -3.30 117.35 118.59 1wk1 s TYR 102 Ca 0.06 -0.36 -0.29 0.00 -0.52 0.00 0.00 57.07 55.96 1wk1 s TYR 102 Cb -0.06 -0.90 -0.04 0.00 0.38 0.00 0.00 41.96 41.33 1wk1 s TYR 102 CO -0.00 -0.14 1.96 0.12 -1.52 0.00 0.00 175.55 175.97 1wk1 s PHE 103 N 0.16 1.53 -0.61 -3.49 2.19 0.38 -3.28 117.98 114.84 1wk1 s PHE 103 Ca -0.04 0.41 -0.26 0.00 0.33 0.00 0.00 56.93 57.37 1wk1 s PHE 103 Cb -0.10 -4.03 0.04 0.00 -1.31 0.00 0.00 43.02 37.61 1wk1 s PHE 103 CO 0.01 -3.80 1.12 0.34 1.83 0.00 0.00 175.22 174.73 1wk1 s ASP 104 N 6.38 6.33 0.05 6.13 -1.08 0.35 -2.12 116.67 132.70 1wk1 s ASP 104 Ca 0.88 -0.25 -0.19 0.00 -0.52 0.00 0.00 52.55 52.47 1wk1 s ASP 104 Cb -0.30 -2.51 -0.15 0.00 -1.46 0.00 0.00 42.92 38.50 1wk1 s ASP 104 CO 0.35 -1.49 1.29 1.23 0.52 0.00 0.00 175.17 177.07 1wk1 h GLY 105 N 11.85 0.52 0.41 2.66 0.00 -1.40 -3.21 103.07 113.90 1wk1 h GLY 105 Ca -0.26 -0.62 0.13 0.00 0.00 0.00 0.00 47.33 46.57 1wk1 h GLY 105 CO 1.18 0.56 0.56 3.21 0.00 0.00 0.00 176.54 182.05 1wk1 h ARG 106 N 0.09 0.84 -5.34 4.80 3.08 -1.76 -3.35 114.38 112.73 1wk1 h ARG 106 Ca 0.00 -0.05 -0.58 0.00 0.07 0.00 0.00 59.98 59.42 1wk1 h ARG 106 Cb 0.91 -0.19 -0.07 0.00 0.08 0.00 0.00 29.97 30.70 1wk1 h ARG 106 CO 0.07 0.56 1.62 0.45 -1.07 0.00 0.00 179.97 181.59 1wk1 n SER 107 N -4.70 0.55 -0.32 7.04 2.88 -1.21 -4.74 113.62 113.11 1wk1 n SER 107 Ca 0.18 0.31 0.21 0.00 -1.33 0.00 0.00 58.87 58.24 1wk1 n SER 107 Cb 0.37 -0.95 0.41 0.00 -0.75 0.00 0.00 64.21 63.29 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 11.38 1.75 -6.70 0.46 0.00 -1.90 -3.34 103.07 104.73 1wk1 h GLY 108 Ca -0.08 -0.09 -0.62 0.00 0.00 0.00 0.00 47.33 46.55 1wk1 h GLY 108 CO 1.28 -0.53 0.28 0.99 0.00 0.00 0.00 176.54 178.57 1wk1 s ASP 109 N -4.89 6.51 0.33 0.19 1.01 -1.26 -4.93 116.67 113.63 1wk1 s ASP 109 Ca -0.11 0.31 0.02 0.00 0.71 0.00 0.00 52.55 53.48 1wk1 s ASP 109 Cb 0.29 -2.37 0.58 0.00 1.01 0.00 0.00 42.92 42.43 1wk1 s ASP 109 CO 0.78 -0.66 1.94 0.07 0.21 0.00 0.00 175.17 177.51 1wk1 h LYS 110 N 8.43 0.77 0.00 8.23 2.10 -1.94 -0.44 116.57 133.73 1wk1 h LYS 110 Ca -0.25 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 1wk1 h LYS 110 Cb 1.10 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 1wk1 h LYS 110 CO 0.88 0.60 0.00 0.45 -2.00 0.00 0.00 179.45 179.37 1wk1 n SER 111 N -4.37 0.00 -1.57 7.07 2.88 -1.26 -2.46 113.62 113.90 1wk1 n SER 111 Ca 0.05 -0.67 0.01 0.00 -1.33 0.00 0.00 58.87 56.92 1wk1 n SER 111 Cb 0.12 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.65 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 -0.94 1.10 0.06 -1.46 5.02 -0.18 -4.13 118.16 117.62 1wk1 n LYS 112 Ca 0.13 -2.84 -0.03 0.00 -2.02 0.00 0.00 58.31 53.56 1wk1 n LYS 112 Cb 0.06 -0.94 -0.07 0.00 -0.02 0.00 0.00 35.03 34.05 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 4.72 1.00 -2.32 -0.18 -1.51 -1.37 -3.37 116.25 113.21 1wk1 h VAL 113 Ca -0.09 -2.57 -0.54 0.00 -1.23 0.00 0.00 66.70 62.26 1wk1 h VAL 113 Cb 1.52 2.44 0.01 0.00 -2.13 0.00 0.00 31.29 33.13 1wk1 h VAL 113 CO 0.16 0.57 1.27 0.26 -1.23 0.00 0.00 177.57 178.60 1wk1 s TRP 114 N -2.82 1.28 -0.08 5.19 0.52 -1.10 -0.50 118.94 121.43 1wk1 s TRP 114 Ca -0.00 -0.28 -0.03 0.00 0.02 0.00 0.00 56.10 55.81 1wk1 s TRP 114 Cb 0.09 -4.19 0.04 0.00 -1.15 0.00 0.00 33.47 28.26 1wk1 s TRP 114 CO 0.80 -5.28 0.17 0.99 0.02 0.00 0.00 176.95 173.65 1wk1 s THR 115 N 5.10 -0.10 0.32 2.01 2.01 -1.21 -0.23 115.64 123.55 1wk1 s THR 115 Ca 0.90 0.21 -0.27 0.00 0.31 0.00 0.00 61.69 62.85 1wk1 s THR 115 Cb -0.41 -0.28 -0.09 0.00 0.01 0.00 0.00 72.50 71.73 1wk1 s THR 115 CO 0.40 0.09 1.00 0.42 -0.69 0.00 0.00 174.62 175.84 1wk1 s THR 116 N 1.45 3.93 0.25 -0.82 -4.23 -1.26 -1.41 115.64 113.55 1wk1 s THR 116 Ca -0.06 1.68 -0.17 0.00 -1.18 0.00 0.00 61.69 61.96 1wk1 s THR 116 Cb -0.11 -3.97 0.01 0.00 1.34 0.00 0.00 72.50 69.77 1wk1 s THR 116 CO -0.06 0.20 0.57 -0.62 -0.54 0.00 0.00 174.62 174.17 1wk1 s ASP 117 N -1.40 -0.18 0.48 3.99 2.15 0.83 -4.93 116.67 117.61 1wk1 s ASP 117 Ca 0.50 -0.73 -0.24 0.00 0.43 0.00 0.00 52.55 52.51 1wk1 s ASP 117 Cb -0.23 0.63 -0.07 0.00 -0.30 0.00 0.00 42.92 42.95 1wk1 s ASP 117 CO 0.29 -1.19 1.38 0.28 -0.17 0.00 0.00 175.17 175.76 1wk1 s THR 118 N -3.95 2.16 -0.27 1.71 -1.32 -1.26 -2.48 115.64 110.23 1wk1 s THR 118 Ca 0.16 0.13 0.02 0.00 -1.21 0.00 0.00 61.69 60.79 1wk1 s THR 118 Cb -0.02 -3.07 0.27 0.00 -1.51 0.00 0.00 72.50 68.16 1wk1 s THR 118 CO 0.06 0.01 1.29 0.00 -2.21 0.00 0.00 174.62 173.77 1wk1 n ALA 120 N -0.07 1.60 -2.36 0.00 0.00 -1.26 -3.79 120.51 114.63 1wk1 n ALA 120 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.23 1wk1 n ALA 120 Cb 0.90 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.32 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 -1.19 4.02 -0.38 0.00 2.01 -1.22 -4.69 115.64 114.20 1wk1 s THR 121 Ca 0.00 1.37 -0.28 0.00 0.31 0.00 0.00 61.69 63.09 1wk1 s THR 121 Cb 0.00 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 1wk1 s THR 121 CO 0.00 0.01 1.72 -2.16 -0.69 0.00 0.00 174.62 173.49 1wk1 s PRO 122 N 2.20 3.32 0.05 4.92 0.04 -1.26 -3.95 135.00 140.31 1wk1 s PRO 122 Ca 0.59 1.24 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 1wk1 s PRO 122 Cb -0.28 -4.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.05 1wk1 s PRO 122 CO 0.24 -1.88 -0.02 1.03 0.04 0.00 0.00 177.00 176.41 1wk1 s ARG 123 N 5.63 0.61 1.01 4.56 0.52 -1.19 -4.62 118.95 125.46 1wk1 s ARG 123 Ca 0.74 -1.18 -0.12 0.00 -0.52 0.00 0.00 55.73 54.64 1wk1 s ARG 123 Cb -0.19 0.21 0.19 0.00 0.52 0.00 0.00 34.95 35.68 1wk1 s ARG 123 CO 0.32 -0.11 1.09 -1.25 0.02 0.00 0.00 175.30 175.37 1wk1 s PRO 124 N -3.81 0.34 0.30 3.54 0.04 -1.25 -0.45 135.00 133.70 1wk1 s PRO 124 Ca 0.06 0.49 -0.06 0.00 0.04 0.00 0.00 61.00 61.53 1wk1 s PRO 124 Cb 0.07 -1.73 0.02 0.00 0.04 0.00 0.00 34.50 32.91 1wk1 s PRO 124 CO -0.10 -2.79 0.50 1.97 0.04 0.00 0.00 177.00 176.62 1wk1 n PHE 125 N -4.21 -1.62 -3.87 0.56 -1.74 -1.26 -0.00 117.46 105.31 1wk1 n PHE 125 Ca 0.05 -1.74 -0.16 0.00 -0.56 0.00 0.00 57.45 55.04 1wk1 n PHE 125 Cb 0.57 0.58 -0.16 0.00 1.52 0.00 0.00 39.48 41.99 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 -2.55 0.09 -0.05 1.97 1.01 -1.26 -2.49 121.20 117.92 1wk1 s ILE 126 Ca 0.19 0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.87 1wk1 s ILE 126 Cb -0.02 -0.20 -0.05 0.00 0.01 0.00 0.00 42.46 42.20 1wk1 s ILE 126 CO 0.14 0.12 0.27 0.00 0.00 0.00 0.00 174.94 175.47 1wk1 s GLN 128 N -1.13 0.70 1.16 0.00 0.74 0.11 -0.58 119.66 120.66 1wk1 s GLN 128 Ca 0.20 -0.18 -0.18 0.00 0.05 0.00 0.00 55.36 55.25 1wk1 s GLN 128 Cb -0.14 -0.69 0.26 0.00 1.10 0.00 0.00 33.01 33.54 1wk1 s GLN 128 CO 0.09 0.04 1.11 0.15 -0.55 0.00 0.00 175.29 176.14 1wk1 s LYS 129 N 0.34 -0.85 -0.05 1.67 -0.14 -1.26 -2.76 119.74 116.70 1wk1 s LYS 129 Ca -0.04 0.05 -0.07 0.00 -1.36 0.00 0.00 55.97 54.54 1wk1 s LYS 129 Cb -0.08 -1.63 -0.02 0.00 -1.68 0.00 0.00 37.83 34.41 1wk1 s LYS 129 CO 0.00 -3.48 -0.14 1.58 -0.76 0.00 0.00 175.35 172.54 1wk1 n HIS 130 N -4.62 0.00 -3.24 3.18 -0.00 -1.26 -4.93 115.22 104.35 1wk1 n HIS 130 Ca 0.11 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.45 1wk1 n HIS 130 Cb 0.59 -0.20 -0.06 0.00 -0.00 0.00 0.00 29.99 30.32 1wk1 n HIS 130 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1wk1 s ARG 131 N -2.04 4.26 0.18 1.57 0.52 -1.26 -4.98 118.95 117.20 1wk1 s ARG 131 Ca -0.12 0.74 -0.20 0.00 -0.52 0.00 0.00 55.73 55.64 1wk1 s ARG 131 Cb 0.02 -3.29 0.13 0.00 0.52 0.00 0.00 34.95 32.33 1wk1 s ARG 131 CO 0.17 0.51 1.60 -0.92 0.02 0.00 0.00 175.30 176.69 1wk1 h TYR 132 N 5.04 -0.75 -3.58 -0.53 3.20 -2.05 -3.40 116.97 114.89 1wk1 h TYR 132 Ca -0.48 0.06 -0.50 0.00 3.14 0.00 0.00 58.73 60.95 1wk1 h TYR 132 Cb 1.21 0.41 -0.01 0.00 1.54 0.00 0.00 36.73 39.88 1wk1 h TYR 132 CO 0.67 -0.35 0.04 -0.51 -1.64 0.00 0.00 178.16 176.37 1wk1 s ASP 133 N -5.15 6.57 0.17 -2.11 1.11 -1.26 -5.10 116.67 110.91 1wk1 s ASP 133 Ca -0.14 1.06 0.10 0.00 0.18 0.00 0.00 52.55 53.75 1wk1 s ASP 133 Cb 0.16 -2.29 -0.04 0.00 1.07 0.00 0.00 42.92 41.82 1wk1 s ASP 133 CO 0.70 -0.29 -0.22 -0.55 1.18 0.00 0.00 175.17 175.99 1wk1 s SER 134 N -2.90 3.13 1.12 0.27 0.15 -1.26 -5.02 113.70 109.19 1wk1 s SER 134 Ca 0.50 -0.84 -0.12 0.00 0.70 0.00 0.00 55.95 56.19 1wk1 s SER 134 Cb -0.10 -0.21 0.26 0.00 -1.71 0.00 0.00 66.02 64.25 1wk1 s SER 134 CO 0.27 0.07 1.05 1.51 1.20 0.00 0.00 173.24 177.35 1wk1 s ASP 135 N -2.57 1.26 1.02 5.45 1.47 -1.26 -4.93 116.67 117.12 1wk1 s ASP 135 Ca 0.18 1.71 -0.23 0.00 1.18 0.00 0.00 52.55 55.38 1wk1 s ASP 135 Cb -0.08 -2.40 -0.11 0.00 -0.34 0.00 0.00 42.92 40.00 1wk1 s ASP 135 CO 0.08 -4.06 -0.95 1.57 0.68 0.00 0.00 175.17 172.49 1wk1 n HIS 136 N -4.83 -2.03 -4.83 2.11 -0.00 -1.26 -4.99 115.22 99.38 1wk1 n HIS 136 Ca 0.05 0.40 -0.26 0.00 -0.00 0.00 0.00 57.72 57.91 1wk1 n HIS 136 Cb 0.53 -1.46 -0.16 0.00 -0.00 0.00 0.00 29.99 28.91 1wk1 n HIS 136 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1wk1 s LYS 137 N -2.43 1.65 0.49 1.57 2.47 -1.26 -5.15 119.74 117.08 1wk1 s LYS 137 Ca 0.43 -0.61 -0.08 0.00 -1.56 0.00 0.00 55.97 54.15 1wk1 s LYS 137 Cb -0.01 -1.48 0.12 0.00 -1.46 0.00 0.00 37.83 34.99 1wk1 s LYS 137 CO 0.69 0.28 0.43 -0.35 0.16 0.00 0.00 175.35 176.57 1wk1 n PRO 138 N 3.00 -1.87 -4.01 4.03 -0.04 -1.26 -5.05 135.00 129.79 1wk1 n PRO 138 Ca -0.17 -0.69 -0.08 0.00 -0.04 0.00 0.00 63.50 62.51 1wk1 n PRO 138 Cb 0.53 -0.65 -0.11 0.00 -0.04 0.00 0.00 33.50 33.24 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 -2.67 0.31 -1.15 3.54 0.01 -1.26 -4.26 114.94 109.47 1wk1 s ASN 139 Ca 0.28 -0.65 -0.07 0.00 -0.71 0.00 0.00 52.86 51.71 1wk1 s ASN 139 Cb -0.03 0.13 0.01 0.00 0.41 0.00 0.00 41.25 41.77 1wk1 s ASN 139 CO 0.22 -0.39 0.92 0.41 -1.51 0.00 0.00 177.10 176.74 1wk1 n THR 140 N 1.15 -2.37 -3.74 1.60 -1.04 -1.26 -4.83 114.28 103.80 1wk1 n THR 140 Ca -0.21 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.51 1wk1 n THR 140 Cb 0.57 -3.50 -0.15 0.00 -1.82 0.00 0.00 70.33 65.42 1wk1 n THR 140 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1wk1 s ILE 141 N -3.24 0.77 0.00 12.58 -1.09 -1.26 -4.80 121.20 124.17 1wk1 s ILE 141 Ca 0.46 -1.14 0.00 0.00 -2.23 0.00 0.00 60.65 57.73 1wk1 s ILE 141 Cb -0.20 -1.48 0.00 0.00 -1.58 0.00 0.00 42.46 39.20 1wk1 s ILE 141 CO 0.56 -0.53 0.00 0.61 -1.23 0.00 0.00 174.94 174.35 1wk1 n GLY 142 N 4.91 1.14 3.53 6.18 0.00 -1.26 -3.51 105.19 116.18 1wk1 n GLY 142 Ca -0.05 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 1wk1 n GLY 142 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wk1 n ASP 143 N 0.75 0.59 -4.33 1.61 8.00 -1.26 -4.38 116.55 117.52 1wk1 n ASP 143 Ca 0.00 -0.87 -0.46 0.00 0.71 0.00 0.00 54.79 54.17 1wk1 n ASP 143 Cb 0.21 -1.19 -0.01 0.00 -0.02 0.00 0.00 41.12 40.11 1wk1 n ASP 143 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wk1 s ALA 144 N 8.82 4.32 -0.88 2.24 0.00 -1.26 -5.00 121.76 130.00 1wk1 s ALA 144 Ca 1.12 -3.52 -0.25 0.00 0.00 0.00 0.00 51.96 49.31 1wk1 s ALA 144 Cb -0.50 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.07 1wk1 s ALA 144 CO 0.32 -2.25 1.83 -1.12 0.00 0.00 0.00 175.76 174.53 1wk1 s SER 145 N 1.83 5.43 -0.43 0.00 0.01 -1.26 -4.82 113.70 114.45 1wk1 s SER 145 Ca 0.23 -0.67 0.05 0.00 1.31 0.00 0.00 55.95 56.87 1wk1 s SER 145 Cb -0.10 -2.56 0.17 0.00 0.21 0.00 0.00 66.02 63.74 1wk1 s SER 145 CO -0.09 -2.45 0.47 -0.83 0.41 0.00 0.00 173.24 170.75 1wk1 s GLY 146 N 7.37 -0.04 0.92 3.44 0.00 -1.26 -5.15 107.32 112.61 1wk1 s GLY 146 Ca 0.64 -1.23 -0.12 0.00 0.00 0.00 0.00 44.72 44.01 1wk1 s GLY 146 CO 0.01 2.84 1.09 2.56 0.00 0.00 0.00 173.10 179.61 1wk1 s PRO 147 N 0.87 1.03 -0.20 2.90 0.04 -1.26 -5.08 135.00 133.30 1wk1 s PRO 147 Ca 0.25 0.74 -0.28 0.00 0.04 0.00 0.00 61.00 61.75 1wk1 s PRO 147 Cb -0.05 -1.79 0.12 0.00 0.04 0.00 0.00 34.50 32.82 1wk1 s PRO 147 CO -0.09 -2.38 0.98 -1.54 0.04 0.00 0.00 177.00 174.02 1wk1 s SER 148 N -3.43 -0.42 -0.00 6.66 1.04 -1.26 -5.18 113.70 111.11 1wk1 s SER 148 Ca 0.64 0.61 -0.11 0.00 0.48 0.00 0.00 55.95 57.57 1wk1 s SER 148 Cb -0.18 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.50 1wk1 s SER 148 CO 0.57 -0.29 0.23 -0.44 0.98 0.00 0.00 173.24 174.29 1wk1 s SER 149 N -0.60 -0.08 0.00 7.02 0.01 -1.26 -5.24 113.70 113.55 1wk1 s SER 149 Ca -0.01 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1wk1 s SER 149 Cb -0.02 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.48 1wk1 s SER 149 CO -0.01 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 173.82