#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 2.17 0.24 1.61 0.01 -1.26 -5.11 113.70 111.35 1wk1 s SER 2 Ca 0.00 -0.33 -0.29 0.00 1.31 0.00 0.00 55.95 56.64 1wk1 s SER 2 Cb 0.00 -0.73 -0.16 0.00 0.21 0.00 0.00 66.02 65.35 1wk1 s SER 2 CO 0.00 -0.16 0.82 -1.20 0.41 0.00 0.00 173.24 173.11 1wk1 n SER 3 N 5.00 0.23 -1.03 2.44 7.64 -1.26 -4.38 113.62 122.25 1wk1 n SER 3 Ca -0.11 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1wk1 n SER 3 Cb 0.49 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1wk1 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wk1 n GLY 4 N 1.61 -1.69 3.57 0.23 0.00 -1.26 -4.92 105.19 102.72 1wk1 n GLY 4 Ca 0.14 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 1wk1 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wk1 s SER 5 N -0.12 5.16 -0.15 1.61 0.15 -1.26 -4.92 113.70 114.17 1wk1 s SER 5 Ca 0.00 1.13 -0.06 0.00 0.70 0.00 0.00 55.95 57.72 1wk1 s SER 5 Cb 0.00 -2.51 0.07 0.00 -1.71 0.00 0.00 66.02 61.86 1wk1 s SER 5 CO 0.00 -2.32 0.31 -0.94 1.20 0.00 0.00 173.24 171.49 1wk1 s SER 6 N 9.09 0.06 0.00 5.45 1.04 -1.26 -5.10 113.70 122.99 1wk1 s SER 6 Ca 0.87 0.71 0.00 0.00 0.48 0.00 0.00 55.95 58.01 1wk1 s SER 6 Cb -0.21 0.83 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1wk1 s SER 6 CO 0.28 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1wk1 n GLY 7 N 5.14 0.14 3.64 7.32 0.00 -1.26 -4.98 105.19 115.18 1wk1 n GLY 7 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 3.24 0.45 1.61 1.01 -1.26 -4.97 120.40 120.48 1wk1 s VAL 8 Ca 0.00 0.28 -0.19 0.00 0.00 0.00 0.00 61.98 62.07 1wk1 s VAL 8 Cb 0.00 -3.23 -0.10 0.00 0.00 0.00 0.00 36.38 33.05 1wk1 s VAL 8 CO 0.00 -0.08 0.94 -0.54 0.00 0.00 0.00 175.10 175.42 1wk1 s LYS 9 N 4.96 4.10 0.19 2.72 1.02 -1.26 -5.07 119.74 126.41 1wk1 s LYS 9 Ca 0.86 1.01 -0.02 0.00 0.02 0.00 0.00 55.97 57.83 1wk1 s LYS 9 Cb -0.35 -2.19 -0.05 0.00 -0.52 0.00 0.00 37.83 34.72 1wk1 s LYS 9 CO 0.36 -0.10 0.41 -0.06 -0.92 0.00 0.00 175.35 175.03 1wk1 s PHE 10 N -2.32 3.48 -1.56 3.18 0.08 -1.26 -4.32 117.98 115.26 1wk1 s PHE 10 Ca 0.60 0.45 -0.15 0.00 0.12 0.00 0.00 56.93 57.95 1wk1 s PHE 10 Cb -0.09 -1.93 0.10 0.00 -0.57 0.00 0.00 43.02 40.53 1wk1 s PHE 10 CO 0.20 0.37 0.89 1.28 -0.10 0.00 0.00 175.22 177.86 1wk1 n LEU 11 N -0.47 -2.25 -3.85 -0.37 4.77 -0.35 -4.96 117.00 109.52 1wk1 n LEU 11 Ca -0.04 -0.79 -0.18 0.00 -0.03 0.00 0.00 56.01 54.98 1wk1 n LEU 11 Cb 0.53 -2.41 -0.16 0.00 -2.33 0.00 0.00 43.42 39.05 1wk1 n LEU 11 CO 0.49 0.39 -0.38 0.42 -1.33 0.00 0.00 177.39 176.97 1wk1 s THR 12 N -3.26 0.28 -0.16 -5.08 -4.23 -1.26 -5.04 115.64 96.89 1wk1 s THR 12 Ca 0.66 0.01 -0.29 0.00 -1.18 0.00 0.00 61.69 60.89 1wk1 s THR 12 Cb -0.34 -0.35 -0.04 0.00 1.34 0.00 0.00 72.50 73.11 1wk1 s THR 12 CO 0.82 0.16 1.71 -0.69 -0.54 0.00 0.00 174.62 176.08 1wk1 s VAL 13 N 0.92 3.55 -0.46 2.29 1.01 -1.26 -4.48 120.40 121.96 1wk1 s VAL 13 Ca -0.10 0.63 -0.22 0.00 0.00 0.00 0.00 61.98 62.28 1wk1 s VAL 13 Cb -0.13 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.75 1wk1 s VAL 13 CO -0.01 -0.19 0.76 0.20 0.00 0.00 0.00 175.10 175.86 1wk1 s ASN 14 N 4.44 6.37 0.21 3.32 0.01 -1.04 -4.94 114.94 123.31 1wk1 s ASN 14 Ca 0.76 -0.25 -0.16 0.00 -0.71 0.00 0.00 52.86 52.49 1wk1 s ASN 14 Cb -0.29 -2.37 0.23 0.00 0.41 0.00 0.00 41.25 39.22 1wk1 s ASN 14 CO 0.31 -0.92 1.44 0.47 -1.51 0.00 0.00 177.10 176.88 1wk1 n ASP 15 N 6.67 -0.60 -3.45 -1.22 9.92 -1.26 -4.17 116.55 122.44 1wk1 n ASP 15 Ca 0.01 1.62 -0.35 0.00 -0.53 0.00 0.00 54.79 55.53 1wk1 n ASP 15 Cb 0.48 -0.37 -0.11 0.00 -0.64 0.00 0.00 41.12 40.47 1wk1 n ASP 15 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1wk1 n ASP 16 N -5.37 0.31 -4.70 -2.24 9.92 -1.26 -4.57 116.55 108.64 1wk1 n ASP 16 Ca 0.10 0.23 -0.42 0.00 -0.53 0.00 0.00 54.79 54.16 1wk1 n ASP 16 Cb 0.37 -0.71 -0.03 0.00 -0.64 0.00 0.00 41.12 40.11 1wk1 n ASP 16 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1wk1 s ILE 17 N 6.44 4.57 -0.06 0.53 -4.36 -1.26 -4.54 121.20 122.52 1wk1 s ILE 17 Ca 1.03 1.85 -0.10 0.00 -0.26 0.00 0.00 60.65 63.17 1wk1 s ILE 17 Cb -1.02 -4.19 0.02 0.00 1.25 0.00 0.00 42.46 38.52 1wk1 s ILE 17 CO 0.41 0.08 0.25 -0.76 0.24 0.00 0.00 174.94 175.16 1wk1 s LEU 18 N 1.53 1.08 1.23 0.37 1.43 -0.38 -4.61 118.68 119.33 1wk1 s LEU 18 Ca 0.53 0.27 -0.17 0.00 -1.03 0.00 0.00 54.13 53.72 1wk1 s LEU 18 Cb -0.23 0.94 0.26 0.00 0.03 0.00 0.00 46.19 47.20 1wk1 s LEU 18 CO 0.24 -0.24 0.66 -1.54 0.23 0.00 0.00 176.35 175.70 1wk1 n SER 19 N 2.22 -2.67 0.11 2.29 3.41 -1.26 -2.97 113.62 114.75 1wk1 n SER 19 Ca -0.17 -0.37 -0.13 0.00 -0.26 0.00 0.00 58.87 57.94 1wk1 n SER 19 Cb 0.57 -1.07 -0.08 0.00 -0.26 0.00 0.00 64.21 63.38 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 -2.81 -0.19 0.00 4.33 4.05 -1.79 0.23 114.93 118.75 1wk1 h MET 20 Ca -0.52 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 1wk1 h MET 20 Cb 1.29 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.13 1wk1 h MET 20 CO 0.38 -0.10 0.00 -0.35 0.23 0.00 0.00 176.91 177.07 1wk1 n PRO 21 N -5.16 0.01 -0.09 0.39 -0.04 -1.26 -2.51 135.00 126.34 1wk1 n PRO 21 Ca -0.08 0.27 -0.12 0.00 -0.04 0.00 0.00 63.50 63.52 1wk1 n PRO 21 Cb 0.12 -1.52 -0.15 0.00 -0.04 0.00 0.00 33.50 31.91 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 -1.54 0.68 0.04 0.54 6.02 -0.84 -4.23 117.38 118.05 1wk1 n GLN 22 Ca 0.03 0.08 -0.02 0.00 -0.01 0.00 0.00 57.00 57.08 1wk1 n GLN 22 Cb 0.17 -1.56 -0.01 0.00 1.02 0.00 0.00 30.24 29.86 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 0.71 -0.37 -1.07 -1.58 0.00 -0.33 -2.83 119.26 113.79 1wk1 h ALA 23 Ca -0.52 -0.03 0.43 0.00 0.00 0.00 0.00 54.91 54.79 1wk1 h ALA 23 Cb 2.13 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 19.80 1wk1 h ALA 23 CO 0.01 -0.36 0.61 2.89 0.00 0.00 0.00 179.25 182.39 1wk1 n ARG 24 N -2.91 -0.05 -0.19 0.00 1.85 -1.04 0.20 116.66 114.52 1wk1 n ARG 24 Ca -0.02 1.34 -0.10 0.00 -1.00 0.00 0.00 57.85 58.08 1wk1 n ARG 24 Cb 0.05 -2.45 0.02 0.00 -1.05 0.00 0.00 32.46 29.03 1wk1 n ARG 24 CO 0.00 0.00 0.00 -0.97 -0.01 0.00 0.00 177.63 176.65 1wk1 h ASN 25 N 0.00 1.04 0.66 2.89 -1.24 -1.73 -2.86 115.58 114.34 1wk1 h ASN 25 Ca 0.85 -0.34 -0.03 0.00 0.71 0.00 0.00 56.30 57.49 1wk1 h ASN 25 Cb 2.35 -0.28 0.01 0.00 0.73 0.00 0.00 38.32 41.12 1wk1 h ASN 25 CO -0.70 1.14 -0.32 0.15 -1.29 0.00 0.00 177.43 176.41 1wk1 h PHE 26 N 0.93 -0.83 -0.91 0.67 3.04 0.26 -2.42 116.94 117.68 1wk1 h PHE 26 Ca 0.15 -0.02 0.21 0.00 3.98 0.00 0.00 57.97 62.29 1wk1 h PHE 26 Cb 0.66 0.27 -0.17 0.00 2.56 0.00 0.00 35.95 39.28 1wk1 h PHE 26 CO 0.04 -0.51 -0.07 0.00 -2.02 0.00 0.00 178.31 175.75 1wk1 h ALA 28 N 1.89 0.06 -0.67 0.00 0.00 -0.32 0.31 119.26 120.53 1wk1 h ALA 28 Ca 0.50 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.55 1wk1 h ALA 28 Cb 0.90 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1wk1 h ALA 28 CO -0.87 -0.50 0.29 1.03 0.00 0.00 0.00 179.25 179.20 1wk1 h SER 29 N -0.03 0.34 -0.49 0.00 0.87 -0.02 -1.75 113.55 112.46 1wk1 h SER 29 Ca 0.07 0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.62 1wk1 h SER 29 Cb 0.13 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1wk1 h SER 29 CO -0.14 0.19 0.01 0.00 -0.53 0.00 0.00 176.83 176.36 1wk1 h ALA 30 N 1.43 0.66 0.00 6.23 0.00 -0.77 -3.47 119.26 123.35 1wk1 h ALA 30 Ca 0.34 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wk1 h ALA 30 Cb 0.40 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1wk1 h ALA 30 CO -0.30 0.46 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1wk1 n GLY 31 N -0.41 0.35 2.95 0.00 0.00 0.11 -5.00 105.19 103.18 1wk1 n GLY 31 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 0.93 3.14 -0.02 0.00 0.85 -4.63 105.19 105.46 1wk1 n GLY 32 Ca 0.00 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.27 0.72 0.33 1.61 -0.85 -0.78 -0.17 117.35 114.94 1wk1 s TYR 33 Ca 0.16 -1.15 -0.26 0.00 -0.52 0.00 0.00 57.07 55.30 1wk1 s TYR 33 Cb -0.03 -0.42 -0.14 0.00 0.38 0.00 0.00 41.96 41.75 1wk1 s TYR 33 CO 0.06 -0.49 0.82 1.28 -1.52 0.00 0.00 175.55 175.71 1wk1 n LEU 34 N -0.04 1.03 -4.76 -3.49 4.77 -1.26 0.12 117.00 113.37 1wk1 n LEU 34 Ca -0.08 1.08 -0.40 0.00 -0.03 0.00 0.00 56.01 56.58 1wk1 n LEU 34 Cb 0.63 -1.21 -0.06 0.00 -2.33 0.00 0.00 43.42 40.45 1wk1 n LEU 34 CO 0.29 -2.01 0.59 0.00 -1.33 0.00 0.00 177.39 174.94 1wk1 s ALA 35 N -1.19 3.37 0.87 -1.18 0.00 0.33 -4.62 121.76 119.36 1wk1 s ALA 35 Ca 0.61 0.53 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 1wk1 s ALA 35 Cb -0.69 -3.13 0.11 0.00 0.00 0.00 0.00 23.12 19.42 1wk1 s ALA 35 CO 0.58 0.23 1.10 0.16 0.00 0.00 0.00 175.76 177.84 1wk1 s ASP 36 N -1.14 3.78 -0.14 0.00 1.47 -1.26 -2.42 116.67 116.96 1wk1 s ASP 36 Ca 0.39 1.31 0.21 0.00 1.18 0.00 0.00 52.55 55.64 1wk1 s ASP 36 Cb -0.25 -1.99 0.45 0.00 -0.34 0.00 0.00 42.92 40.79 1wk1 s ASP 36 CO 0.30 -2.42 1.16 -0.67 0.68 0.00 0.00 175.17 174.22 1wk1 n ASP 37 N -3.72 1.70 -4.20 2.11 -0.08 -1.26 -4.87 116.55 106.24 1wk1 n ASP 37 Ca 0.07 -2.51 -0.41 0.00 -1.51 0.00 0.00 54.79 50.43 1wk1 n ASP 37 Cb 0.56 -0.39 -0.07 0.00 2.34 0.00 0.00 41.12 43.56 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 -2.02 5.78 0.00 -2.67 2.34 -1.26 -4.63 118.68 116.21 1wk1 s LEU 38 Ca 0.34 -2.40 0.00 0.00 0.06 0.00 0.00 54.13 52.13 1wk1 s LEU 38 Cb 0.37 -2.00 0.00 0.00 -0.56 0.00 0.00 46.19 44.00 1wk1 s LEU 38 CO -0.09 -0.56 0.00 0.61 -1.06 0.00 0.00 176.35 175.25 1wk1 n GLY 39 N 4.22 2.33 0.27 -3.48 0.00 -1.26 -4.87 105.19 102.41 1wk1 n GLY 39 Ca 0.02 0.12 0.22 0.00 0.00 0.00 0.00 46.02 46.38 1wk1 n GLY 39 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wk1 n ASP 40 N 0.00 0.16 -0.19 1.61 5.75 -1.26 0.24 116.55 122.86 1wk1 n ASP 40 Ca 0.00 1.39 -0.09 0.00 -0.01 0.00 0.00 54.79 56.08 1wk1 n ASP 40 Cb 0.00 -0.62 0.01 0.00 -1.03 0.00 0.00 41.12 39.48 1wk1 n ASP 40 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1wk1 h ASP 41 N 0.00 0.82 0.03 -1.12 3.32 -1.97 0.36 116.42 117.86 1wk1 h ASP 41 Ca 0.64 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.44 1wk1 h ASP 41 Cb 1.60 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1wk1 h ASP 41 CO -0.69 0.86 -0.01 0.50 -1.72 0.00 0.00 179.24 178.18 1wk1 h LYS 42 N 0.76 -0.04 0.69 3.56 1.63 0.27 -1.28 116.57 122.16 1wk1 h LYS 42 Ca 0.16 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.94 1wk1 h LYS 42 Cb 0.37 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1wk1 h LYS 42 CO 0.01 0.50 -0.43 -0.97 -3.45 0.00 0.00 179.45 175.10 1wk1 h ASN 43 N -0.60 -1.09 0.04 4.20 -1.24 -0.48 -0.96 115.58 115.44 1wk1 h ASN 43 Ca -0.00 0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.07 1wk1 h ASN 43 Cb 0.56 0.32 -0.00 0.00 0.73 0.00 0.00 38.32 39.93 1wk1 h ASN 43 CO 0.01 -0.67 -0.01 -0.55 -1.29 0.00 0.00 177.43 174.92 1wk1 h ASN 44 N -1.06 0.00 -0.04 1.15 7.08 -1.04 -1.47 115.58 120.19 1wk1 h ASN 44 Ca -0.09 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 52.94 1wk1 h ASN 44 Cb 0.86 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.10 1wk1 h ASN 44 CO 0.09 0.01 -0.66 0.15 -2.08 0.00 0.00 177.43 174.93 1wk1 h PHE 45 N 0.00 0.87 -0.06 4.14 3.04 -0.51 -3.28 116.94 121.13 1wk1 h PHE 45 Ca -0.00 -0.35 -0.02 0.00 3.98 0.00 0.00 57.97 61.58 1wk1 h PHE 45 Cb 0.03 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 38.39 1wk1 h PHE 45 CO 0.00 1.14 -0.03 1.88 -2.02 0.00 0.00 178.31 179.29 1wk1 h TYR 46 N 0.48 0.14 -0.77 0.41 0.05 -0.13 -3.13 116.97 114.03 1wk1 h TYR 46 Ca -0.02 -0.03 0.31 0.00 0.05 0.00 0.00 58.73 59.03 1wk1 h TYR 46 Cb 1.25 -0.03 -0.14 0.00 1.01 0.00 0.00 36.73 38.82 1wk1 h TYR 46 CO 0.06 0.49 0.35 0.45 -1.05 0.00 0.00 178.16 178.47 1wk1 n SER 47 N -4.80 0.21 0.07 3.88 2.88 -1.02 0.95 113.62 115.80 1wk1 n SER 47 Ca -0.07 1.28 -0.03 0.00 -1.33 0.00 0.00 58.87 58.72 1wk1 n SER 47 Cb 0.24 -0.60 -0.01 0.00 -0.75 0.00 0.00 64.21 63.09 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 -0.15 0.27 -3.46 0.02 -1.67 -2.37 113.55 106.19 1wk1 h SER 48 Ca 0.62 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.58 1wk1 h SER 48 Cb 1.61 0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.19 1wk1 h SER 48 CO -0.61 -0.11 0.00 2.30 -1.14 0.00 0.00 176.83 177.27 1wk1 n ILE 49 N -2.49 1.13 -0.93 3.27 -5.35 0.21 -1.38 119.36 113.82 1wk1 n ILE 49 Ca -0.02 0.50 -0.03 0.00 -0.27 0.00 0.00 62.75 62.92 1wk1 n ILE 49 Cb 0.07 -1.45 0.32 0.00 -1.74 0.00 0.00 39.64 36.84 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 -1.70 4.39 -1.52 -1.28 0.00 0.27 -4.89 120.51 115.77 1wk1 n ALA 50 Ca 0.00 -2.16 -0.28 0.00 0.00 0.00 0.00 53.44 51.00 1wk1 n ALA 50 Cb 0.10 -1.23 -0.13 0.00 0.00 0.00 0.00 19.45 18.20 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 0.04 0.65 -3.11 0.00 0.00 -0.48 -0.05 120.51 117.56 1wk1 n ALA 51 Ca 0.37 -0.83 -0.19 0.00 0.00 0.00 0.00 53.44 52.79 1wk1 n ALA 51 Cb 1.32 -2.74 0.05 0.00 0.00 0.00 0.00 19.45 18.08 1wk1 n ALA 51 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wk1 n ASN 52 N 12.14 -5.46 -3.94 0.00 3.02 -1.25 -5.01 115.26 114.77 1wk1 n ASN 52 Ca 0.56 -0.33 -0.22 0.00 -0.03 0.00 0.00 54.58 54.56 1wk1 n ASN 52 Cb 0.26 -4.20 -0.17 0.00 -0.61 0.00 0.00 39.78 35.07 1wk1 n ASN 52 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wk1 s THR 53 N -3.15 0.79 -0.22 3.41 2.01 0.92 -4.77 115.64 114.63 1wk1 s THR 53 Ca 0.35 -0.26 -0.07 0.00 0.31 0.00 0.00 61.69 62.02 1wk1 s THR 53 Cb -0.16 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 1wk1 s THR 53 CO 0.44 0.29 0.07 -1.10 -0.69 0.00 0.00 174.62 173.63 1wk1 s GLN 54 N 0.95 3.82 0.21 4.92 -0.21 -1.26 -2.91 119.66 125.18 1wk1 s GLN 54 Ca -0.10 -0.41 0.00 0.00 0.02 0.00 0.00 55.36 54.87 1wk1 s GLN 54 Cb -0.15 -3.28 -0.04 0.00 1.00 0.00 0.00 33.01 30.53 1wk1 s GLN 54 CO 0.00 0.04 0.09 -0.59 -2.12 0.00 0.00 175.29 172.72 1wk1 s PHE 55 N 1.01 1.26 0.87 0.91 -0.71 -0.93 -4.12 117.98 116.27 1wk1 s PHE 55 Ca 0.04 -1.25 -0.13 0.00 -1.04 0.00 0.00 56.93 54.55 1wk1 s PHE 55 Cb -0.14 -0.68 0.12 0.00 -1.21 0.00 0.00 43.02 41.11 1wk1 s PHE 55 CO 0.03 -0.47 1.22 -1.58 -1.34 0.00 0.00 175.22 173.08 1wk1 s TRP 56 N -3.95 2.48 0.23 3.49 0.52 0.97 0.12 118.94 122.81 1wk1 s TRP 56 Ca 0.35 0.62 0.01 0.00 0.02 0.00 0.00 56.10 57.10 1wk1 s TRP 56 Cb 0.07 -3.68 -0.00 0.00 -1.15 0.00 0.00 33.47 28.71 1wk1 s TRP 56 CO 0.10 -2.10 0.27 0.44 0.02 0.00 0.00 176.95 175.68 1wk1 n ILE 57 N -3.50 0.00 0.40 2.03 -5.35 -1.22 -4.42 119.36 107.31 1wk1 n ILE 57 Ca 0.10 -1.36 0.13 0.00 -0.27 0.00 0.00 62.75 61.36 1wk1 n ILE 57 Cb 0.60 0.76 0.45 0.00 -1.74 0.00 0.00 39.64 39.71 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 1.34 0.00 -5.13 3.28 0.00 -1.74 -3.44 103.07 97.38 1wk1 h GLY 58 Ca -0.17 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.59 1wk1 h GLY 58 CO 0.24 0.00 0.88 -2.27 0.00 0.00 0.00 176.54 175.39 1wk1 s LEU 59 N -5.21 4.17 -0.11 3.11 2.96 -1.26 -0.18 118.68 122.16 1wk1 s LEU 59 Ca 0.06 1.65 -0.10 0.00 -0.22 0.00 0.00 54.13 55.51 1wk1 s LEU 59 Cb 0.09 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.27 1wk1 s LEU 59 CO 0.54 -0.74 0.30 0.72 -1.32 0.00 0.00 176.35 175.85 1wk1 s PHE 60 N 3.43 -0.34 0.23 5.38 -0.12 -0.93 -3.08 117.98 122.55 1wk1 s PHE 60 Ca 0.53 0.82 -0.30 0.00 -0.05 0.00 0.00 56.93 57.93 1wk1 s PHE 60 Cb -0.21 0.11 -0.09 0.00 -0.63 0.00 0.00 43.02 42.21 1wk1 s PHE 60 CO 0.13 -0.16 0.99 0.21 -0.05 0.00 0.00 175.22 176.34 1wk1 s LYS 61 N 0.21 4.78 0.61 1.99 2.20 -0.57 -1.41 119.74 127.55 1wk1 s LYS 61 Ca -0.00 1.56 0.08 0.00 -0.36 0.00 0.00 55.97 57.25 1wk1 s LYS 61 Cb -0.02 -3.27 0.10 0.00 -1.51 0.00 0.00 37.83 33.12 1wk1 s LYS 61 CO -0.00 0.39 0.85 1.21 -0.36 0.00 0.00 175.35 177.43 1wk1 s ASN 62 N -0.89 4.91 0.11 1.43 3.84 -0.50 -4.79 114.94 119.05 1wk1 s ASN 62 Ca 0.43 -0.81 -0.29 0.00 0.21 0.00 0.00 52.86 52.40 1wk1 s ASN 62 Cb -0.27 0.34 -0.08 0.00 -0.55 0.00 0.00 41.25 40.69 1wk1 s ASN 62 CO 0.34 -1.49 1.61 0.28 -2.79 0.00 0.00 177.10 175.05 1wk1 h SER 63 N 0.01 -0.97 -0.83 -4.21 0.02 -1.97 -2.16 113.55 103.44 1wk1 h SER 63 Ca -0.30 0.11 0.21 0.00 -0.84 0.00 0.00 61.79 60.97 1wk1 h SER 63 Cb 1.28 0.37 -0.14 0.00 0.14 0.00 0.00 62.40 64.05 1wk1 h SER 63 CO 0.40 -0.42 0.08 -0.78 -1.14 0.00 0.00 176.83 174.97 1wk1 h ASP 64 N -0.56 -0.26 0.00 3.07 1.82 -2.04 -3.45 116.42 115.01 1wk1 h ASP 64 Ca 0.03 0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.88 1wk1 h ASP 64 Cb 0.59 0.34 0.00 0.00 0.68 0.00 0.00 39.33 40.94 1wk1 h ASP 64 CO -0.20 -0.20 0.00 0.61 -1.61 0.00 0.00 179.24 177.84 1wk1 n GLY 65 N -1.42 0.61 3.93 -0.78 0.00 -0.81 -5.14 105.19 101.58 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 0.00 3.49 -0.09 1.61 -0.21 -1.26 -4.80 119.66 118.41 1wk1 s GLN 66 Ca 0.00 -0.42 -0.22 0.00 0.02 0.00 0.00 55.36 54.75 1wk1 s GLN 66 Cb 0.00 -2.89 -0.04 0.00 1.00 0.00 0.00 33.01 31.08 1wk1 s GLN 66 CO 0.00 0.45 0.62 -0.06 -2.12 0.00 0.00 175.29 174.19 1wk1 s PHE 67 N -1.80 3.55 0.47 0.91 0.08 -1.26 -1.42 117.98 118.50 1wk1 s PHE 67 Ca 0.37 1.12 0.04 0.00 0.12 0.00 0.00 56.93 58.58 1wk1 s PHE 67 Cb -0.11 -2.72 -0.04 0.00 -0.57 0.00 0.00 43.02 39.58 1wk1 s PHE 67 CO 0.29 0.10 0.02 0.71 -0.10 0.00 0.00 175.22 176.24 1wk1 s TYR 68 N 0.79 2.15 -0.21 0.36 1.51 -0.50 -0.79 117.35 120.65 1wk1 s TYR 68 Ca 0.33 -0.83 0.01 0.00 -1.01 0.00 0.00 57.07 55.58 1wk1 s TYR 68 Cb -0.17 -1.70 0.03 0.00 -0.11 0.00 0.00 41.96 40.01 1wk1 s TYR 68 CO 0.15 0.30 -0.16 -1.58 -1.11 0.00 0.00 175.55 173.15 1wk1 s TRP 69 N -2.80 2.93 -0.17 2.71 0.52 0.06 -2.20 118.94 120.00 1wk1 s TRP 69 Ca 0.19 -1.79 -0.34 0.00 0.02 0.00 0.00 56.10 54.19 1wk1 s TRP 69 Cb 0.05 -1.94 -0.11 0.00 -1.15 0.00 0.00 33.47 30.32 1wk1 s TRP 69 CO 0.10 -0.81 2.00 -3.47 0.02 0.00 0.00 176.95 174.79 1wk1 n ASP 70 N 4.58 3.12 -0.76 2.95 2.03 0.74 -3.01 116.55 126.20 1wk1 n ASP 70 Ca -0.19 0.73 0.06 0.00 0.52 0.00 0.00 54.79 55.92 1wk1 n ASP 70 Cb 0.48 -1.37 0.22 0.00 -0.72 0.00 0.00 41.12 39.72 1wk1 n ASP 70 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wk1 n ARG 71 N 7.30 2.25 0.00 -0.67 5.12 -1.26 -4.79 116.66 124.61 1wk1 n ARG 71 Ca 0.28 -2.88 0.00 0.00 -1.93 0.00 0.00 57.85 53.32 1wk1 n ARG 71 Cb 0.30 -1.75 0.00 0.00 -1.16 0.00 0.00 32.46 29.85 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 -0.89 1.32 3.62 -0.13 0.00 -1.26 -4.67 105.19 103.18 1wk1 n GLY 72 Ca 0.23 -2.25 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.32 3.82 0.00 1.61 0.74 -1.26 -3.63 119.66 119.62 1wk1 s GLN 73 Ca 0.00 1.20 0.00 0.00 0.05 0.00 0.00 55.36 56.61 1wk1 s GLN 73 Cb 0.00 -3.93 0.00 0.00 1.10 0.00 0.00 33.01 30.18 1wk1 s GLN 73 CO 0.00 -1.25 0.00 0.41 -0.55 0.00 0.00 175.29 173.90 1wk1 n GLY 74 N 4.54 1.46 3.37 2.59 0.00 -1.26 -4.98 105.19 110.91 1wk1 n GLY 74 Ca 0.16 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 1.27 -1.80 -0.61 2.08 -1.24 -4.77 119.36 114.29 1wk1 n ILE 75 Ca 0.00 -0.50 -0.42 0.00 0.56 0.00 0.00 62.75 62.39 1wk1 n ILE 75 Cb 0.00 -0.14 -0.03 0.00 -0.75 0.00 0.00 39.64 38.72 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 -0.98 6.52 0.99 4.38 4.22 -1.26 -4.70 114.94 124.12 1wk1 s ASN 76 Ca 0.61 2.55 -0.12 0.00 -2.14 0.00 0.00 52.86 53.76 1wk1 s ASN 76 Cb -0.71 -2.54 0.18 0.00 1.28 0.00 0.00 41.25 39.47 1wk1 s ASN 76 CO 0.60 -0.99 1.09 -2.16 -2.04 0.00 0.00 177.10 173.60 1wk1 s PRO 77 N 3.87 0.49 -0.15 3.55 0.04 -1.26 -4.71 135.00 136.83 1wk1 s PRO 77 Ca 0.82 0.54 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1wk1 s PRO 77 Cb -0.40 -1.74 -0.00 0.00 0.04 0.00 0.00 34.50 32.39 1wk1 s PRO 77 CO 0.36 -2.69 -0.16 -0.51 0.04 0.00 0.00 177.00 174.04 1wk1 s ASP 78 N -3.46 3.62 0.04 6.66 1.11 -1.17 -4.89 116.67 118.58 1wk1 s ASP 78 Ca 0.65 -0.48 -0.30 0.00 0.18 0.00 0.00 52.55 52.60 1wk1 s ASP 78 Cb -0.18 -1.55 -0.08 0.00 1.07 0.00 0.00 42.92 42.18 1wk1 s ASP 78 CO 0.57 0.09 1.65 -0.22 1.18 0.00 0.00 175.17 178.45 1wk1 s LEU 79 N 0.79 4.36 -0.79 1.23 1.98 -1.26 -0.76 118.68 124.22 1wk1 s LEU 79 Ca -0.06 2.43 -0.26 0.00 -2.89 0.00 0.00 54.13 53.35 1wk1 s LEU 79 Cb -0.15 -3.56 -0.13 0.00 0.66 0.00 0.00 46.19 43.01 1wk1 s LEU 79 CO 0.00 -0.89 2.39 -0.22 -1.89 0.00 0.00 176.35 175.74 1wk1 s LEU 80 N 2.98 2.88 -0.49 -0.68 2.96 0.03 -4.76 118.68 121.60 1wk1 s LEU 80 Ca 0.74 0.04 0.07 0.00 -0.22 0.00 0.00 54.13 54.75 1wk1 s LEU 80 Cb -0.38 -2.55 0.37 0.00 0.50 0.00 0.00 46.19 44.13 1wk1 s LEU 80 CO 0.32 -3.82 0.97 -3.20 -1.32 0.00 0.00 176.35 169.30 1wk1 n ASN 81 N 18.44 3.89 -4.56 3.68 5.15 -1.26 -4.93 115.26 135.67 1wk1 n ASN 81 Ca 0.46 -3.55 -0.32 0.00 -0.60 0.00 0.00 54.58 50.57 1wk1 n ASN 81 Cb 0.44 -0.54 -0.11 0.00 -0.53 0.00 0.00 39.78 39.04 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 -3.34 2.53 0.38 1.20 -2.07 -1.26 -5.02 119.66 112.08 1wk1 s GLN 82 Ca 0.46 -0.71 0.17 0.00 -1.82 0.00 0.00 55.36 53.46 1wk1 s GLN 82 Cb 0.34 -2.46 0.75 0.00 -1.09 0.00 0.00 33.01 30.55 1wk1 s GLN 82 CO -0.13 0.61 1.79 -1.00 -1.32 0.00 0.00 175.29 175.24 1wk1 h PRO 83 N 4.79 0.00 -5.41 9.60 0.13 -2.04 -3.42 132.00 135.65 1wk1 h PRO 83 Ca -0.48 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.02 1wk1 h PRO 83 Cb 1.16 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.18 1wk1 h PRO 83 CO 0.52 0.37 -0.51 0.42 -0.23 0.00 0.00 178.00 178.57 1wk1 s ILE 84 N -3.87 5.23 0.16 -3.56 1.01 -1.26 -5.09 121.20 113.82 1wk1 s ILE 84 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.72 1wk1 s ILE 84 Cb 0.13 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 1wk1 s ILE 84 CO 0.69 0.50 0.14 0.42 0.00 0.00 0.00 174.94 176.70 1wk1 s THR 85 N -0.08 0.06 -0.07 2.92 -4.23 -1.26 -4.96 115.64 108.01 1wk1 s THR 85 Ca 0.09 -1.82 0.10 0.00 -1.18 0.00 0.00 61.69 58.88 1wk1 s THR 85 Cb -0.12 -2.15 0.16 0.00 1.34 0.00 0.00 72.50 71.73 1wk1 s THR 85 CO 0.00 -0.28 1.05 -1.22 -0.54 0.00 0.00 174.62 173.64 1wk1 n TYR 86 N -0.18 0.00 -1.63 3.99 4.01 -1.26 -4.98 117.16 117.11 1wk1 n TYR 86 Ca -0.03 -0.59 -0.55 0.00 -0.16 0.00 0.00 57.90 56.57 1wk1 n TYR 86 Cb 0.64 -0.10 -0.07 0.00 -0.31 0.00 0.00 39.34 39.50 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 -0.83 1.62 -0.47 -0.72 7.02 -1.24 -2.55 117.44 120.27 1wk1 n TRP 87 Ca 0.09 0.67 -0.28 0.00 -1.02 0.00 0.00 57.50 56.95 1wk1 n TRP 87 Cb 0.61 -2.35 0.27 0.00 -2.42 0.00 0.00 31.31 27.42 1wk1 n TRP 87 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wk1 s ALA 88 N 1.52 -0.74 -0.31 6.99 0.00 0.11 -4.64 121.76 124.70 1wk1 s ALA 88 Ca 0.90 -0.24 -0.40 0.00 0.00 0.00 0.00 51.96 52.23 1wk1 s ALA 88 Cb -1.04 -3.21 -0.15 0.00 0.00 0.00 0.00 23.12 18.72 1wk1 s ALA 88 CO 0.55 -4.09 1.83 -1.71 0.00 0.00 0.00 175.76 172.34 1wk1 n ASN 89 N -5.11 2.27 0.00 0.00 2.85 -1.26 0.83 115.26 114.83 1wk1 n ASN 89 Ca 0.03 0.97 0.00 0.00 -0.11 0.00 0.00 54.58 55.47 1wk1 n ASN 89 Cb 0.55 -1.14 0.00 0.00 1.24 0.00 0.00 39.78 40.43 1wk1 n ASN 89 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wk1 n GLY 90 N 4.70 2.87 3.75 8.20 0.00 -1.26 -5.00 105.19 118.45 1wk1 n GLY 90 Ca 0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.10 2.74 0.77 1.61 0.41 0.24 -4.39 118.70 119.98 1wk1 s GLU 91 Ca 0.00 1.62 -0.11 0.00 -0.41 0.00 0.00 54.97 56.08 1wk1 s GLU 91 Cb 0.00 -1.92 0.06 0.00 -1.78 0.00 0.00 34.13 30.48 1wk1 s GLU 91 CO 0.00 -1.34 1.09 -1.25 -0.49 0.00 0.00 175.26 173.27 1wk1 s PRO 92 N -3.75 2.26 0.35 0.39 0.04 -1.26 -4.52 135.00 128.51 1wk1 s PRO 92 Ca 0.72 1.17 -0.07 0.00 0.04 0.00 0.00 61.00 62.86 1wk1 s PRO 92 Cb -0.26 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 1wk1 s PRO 92 CO 0.38 -1.64 0.66 0.45 0.04 0.00 0.00 177.00 176.89 1wk1 s SER 93 N -3.38 6.45 -0.45 6.66 0.15 -1.26 -5.00 113.70 116.86 1wk1 s SER 93 Ca 0.61 0.88 0.04 0.00 0.70 0.00 0.00 55.95 58.18 1wk1 s SER 93 Cb -0.17 -2.22 0.54 0.00 -1.71 0.00 0.00 66.02 62.47 1wk1 s SER 93 CO 0.56 -0.31 1.76 -0.46 1.20 0.00 0.00 173.24 175.99 1wk1 n ASN 94 N -1.22 4.65 -4.77 5.45 0.23 -1.26 -4.99 115.26 113.36 1wk1 n ASN 94 Ca -0.00 -3.73 -0.39 0.00 -0.53 0.00 0.00 54.58 49.94 1wk1 n ASN 94 Cb 0.54 -0.77 -0.06 0.00 -2.08 0.00 0.00 39.78 37.41 1wk1 n ASN 94 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 1wk1 s ASP 95 N -2.02 6.92 0.52 0.53 1.11 -1.26 -4.97 116.67 117.50 1wk1 s ASP 95 Ca 0.55 1.10 0.31 0.00 0.18 0.00 0.00 52.55 54.69 1wk1 s ASP 95 Cb 0.46 -2.34 1.30 0.00 1.07 0.00 0.00 42.92 43.41 1wk1 s ASP 95 CO 0.04 0.12 1.96 1.55 1.18 0.00 0.00 175.17 180.02 1wk1 h PRO 96 N 5.66 0.00 0.13 8.23 0.13 -2.05 -3.15 132.00 140.95 1wk1 h PRO 96 Ca -0.45 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.50 1wk1 h PRO 96 Cb 1.20 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.35 1wk1 h PRO 96 CO 0.69 0.07 -0.78 1.79 -0.23 0.00 0.00 178.00 179.54 1wk1 h THR 97 N 0.00 1.51 -3.56 1.56 1.35 -1.99 -3.43 112.91 108.35 1wk1 h THR 97 Ca -0.00 -2.51 -0.63 0.00 -0.55 0.00 0.00 66.41 62.72 1wk1 h THR 97 Cb 0.54 3.19 -0.13 0.00 -1.73 0.00 0.00 68.15 70.02 1wk1 h THR 97 CO 0.01 0.71 0.18 -0.13 -0.25 0.00 0.00 175.52 176.04 1wk1 s ARG 98 N -2.41 3.70 0.00 4.72 0.52 -1.19 -4.24 118.95 120.05 1wk1 s ARG 98 Ca -0.14 0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.17 1wk1 s ARG 98 Cb 0.01 -3.81 0.00 0.00 0.52 0.00 0.00 34.95 31.67 1wk1 s ARG 98 CO 0.81 -0.75 0.00 1.04 0.02 0.00 0.00 175.30 176.43 1wk1 n GLN 99 N 6.09 1.76 -2.45 3.54 6.02 -1.17 -4.54 117.38 126.64 1wk1 n GLN 99 Ca -0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.69 1wk1 n GLN 99 Cb 0.48 -0.93 -0.01 0.00 1.02 0.00 0.00 30.24 30.81 1wk1 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wk1 s VAL 101 N -2.79 1.99 -0.01 0.00 1.01 -1.18 -0.34 120.40 119.08 1wk1 s VAL 101 Ca 0.51 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1wk1 s VAL 101 Cb -0.10 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1wk1 s VAL 101 CO 0.44 0.49 -0.10 -0.72 0.00 0.00 0.00 175.10 175.21 1wk1 s TYR 102 N -0.65 0.93 -0.12 5.22 -0.85 -0.28 -3.39 117.35 118.21 1wk1 s TYR 102 Ca 0.10 -0.19 -0.29 0.00 -0.52 0.00 0.00 57.07 56.17 1wk1 s TYR 102 Cb -0.10 -0.61 -0.05 0.00 0.38 0.00 0.00 41.96 41.58 1wk1 s TYR 102 CO -0.00 -0.03 1.71 0.12 -1.52 0.00 0.00 175.55 175.83 1wk1 s PHE 103 N -0.15 1.90 -0.75 -3.49 2.19 0.33 -3.07 117.98 114.94 1wk1 s PHE 103 Ca 0.03 0.30 -0.19 0.00 0.33 0.00 0.00 56.93 57.40 1wk1 s PHE 103 Cb -0.05 -3.97 0.13 0.00 -1.31 0.00 0.00 43.02 37.82 1wk1 s PHE 103 CO -0.00 -3.67 0.89 0.34 1.83 0.00 0.00 175.22 174.61 1wk1 s ASP 104 N 4.18 6.42 0.48 6.13 2.15 0.01 -2.19 116.67 133.84 1wk1 s ASP 104 Ca 0.76 -1.77 0.27 0.00 0.43 0.00 0.00 52.55 52.24 1wk1 s ASP 104 Cb -0.31 -2.34 0.89 0.00 -0.30 0.00 0.00 42.92 40.87 1wk1 s ASP 104 CO 0.31 -1.06 1.81 1.23 -0.17 0.00 0.00 175.17 177.28 1wk1 h GLY 105 N 9.97 0.00 0.13 2.66 0.00 -1.75 -2.78 103.07 111.30 1wk1 h GLY 105 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1wk1 h GLY 105 CO 1.06 0.00 0.00 0.54 0.00 0.00 0.00 176.54 178.14 1wk1 n ARG 106 N -3.18 1.24 -2.37 4.80 1.74 -1.26 -3.94 116.66 113.69 1wk1 n ARG 106 Ca 0.01 -0.36 -0.42 0.00 -0.77 0.00 0.00 57.85 56.31 1wk1 n ARG 106 Cb 0.43 -1.33 -0.03 0.00 -1.02 0.00 0.00 32.46 30.51 1wk1 n ARG 106 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wk1 s SER 107 N -1.59 6.99 0.51 0.55 0.15 -1.05 -4.89 113.70 114.37 1wk1 s SER 107 Ca 0.30 1.94 0.37 0.00 0.70 0.00 0.00 55.95 59.26 1wk1 s SER 107 Cb 0.15 -2.56 1.53 0.00 -1.71 0.00 0.00 66.02 63.43 1wk1 s SER 107 CO 0.23 -0.62 1.71 1.23 1.20 0.00 0.00 173.24 177.00 1wk1 h GLY 108 N 8.06 0.36 -3.83 9.45 0.00 -1.91 -3.39 103.07 111.81 1wk1 h GLY 108 Ca -0.36 -0.04 -0.67 0.00 0.00 0.00 0.00 47.33 46.25 1wk1 h GLY 108 CO 0.88 -0.08 -0.83 -0.35 0.00 0.00 0.00 176.54 176.16 1wk1 s ASP 109 N -4.72 3.62 0.06 0.19 2.15 -1.26 -5.04 116.67 111.67 1wk1 s ASP 109 Ca -0.06 -0.69 -0.01 0.00 0.43 0.00 0.00 52.55 52.22 1wk1 s ASP 109 Cb 0.25 -0.38 -0.27 0.00 -0.30 0.00 0.00 42.92 42.23 1wk1 s ASP 109 CO 0.83 0.16 1.08 0.07 -0.17 0.00 0.00 175.17 177.15 1wk1 h LYS 110 N 3.64 0.20 0.00 4.34 2.10 -1.94 -3.23 116.57 121.68 1wk1 h LYS 110 Ca -0.50 -0.35 0.00 0.00 -2.00 0.00 0.00 60.65 57.81 1wk1 h LYS 110 Cb 1.18 0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1wk1 h LYS 110 CO 0.44 1.12 0.00 0.45 -2.00 0.00 0.00 179.45 179.46 1wk1 n SER 111 N -3.46 0.66 -1.47 7.07 2.88 -1.26 -2.83 113.62 115.21 1wk1 n SER 111 Ca -0.09 0.62 -0.12 0.00 -1.33 0.00 0.00 58.87 57.95 1wk1 n SER 111 Cb 1.01 -0.78 0.13 0.00 -0.75 0.00 0.00 64.21 63.83 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 -2.19 2.43 0.04 -1.46 5.02 -1.22 -3.70 118.16 117.08 1wk1 n LYS 112 Ca 0.03 -3.52 -0.10 0.00 -2.02 0.00 0.00 58.31 52.70 1wk1 n LYS 112 Cb 0.30 -1.98 -0.13 0.00 -0.02 0.00 0.00 35.03 33.19 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 1.36 1.36 -2.39 -0.18 -1.51 -1.49 -3.38 116.25 110.01 1wk1 h VAL 113 Ca 0.28 -3.08 -0.53 0.00 -1.23 0.00 0.00 66.70 62.14 1wk1 h VAL 113 Cb 1.43 2.73 0.02 0.00 -2.13 0.00 0.00 31.29 33.35 1wk1 h VAL 113 CO 0.58 0.82 1.22 0.26 -1.23 0.00 0.00 177.57 179.21 1wk1 s TRP 114 N -2.66 1.41 -0.05 5.19 0.52 -1.06 -0.81 118.94 121.48 1wk1 s TRP 114 Ca -0.03 -0.40 -0.04 0.00 0.02 0.00 0.00 56.10 55.65 1wk1 s TRP 114 Cb 0.09 -4.23 0.02 0.00 -1.15 0.00 0.00 33.47 28.19 1wk1 s TRP 114 CO 0.83 -5.46 0.13 0.99 0.02 0.00 0.00 176.95 173.46 1wk1 s THR 115 N 4.21 -0.02 0.47 2.01 2.01 -1.17 0.08 115.64 123.23 1wk1 s THR 115 Ca 0.87 0.06 -0.12 0.00 0.31 0.00 0.00 61.69 62.81 1wk1 s THR 115 Cb -0.43 -0.20 -0.06 0.00 0.01 0.00 0.00 72.50 71.81 1wk1 s THR 115 CO 0.41 0.02 0.87 0.42 -0.69 0.00 0.00 174.62 175.65 1wk1 s THR 116 N 0.41 4.70 -0.01 -0.82 -4.23 -1.26 -1.12 115.64 113.31 1wk1 s THR 116 Ca -0.03 0.81 -0.29 0.00 -1.18 0.00 0.00 61.69 61.00 1wk1 s THR 116 Cb -0.04 -3.75 0.10 0.00 1.34 0.00 0.00 72.50 70.15 1wk1 s THR 116 CO -0.02 -0.66 1.05 -0.62 -0.54 0.00 0.00 174.62 173.83 1wk1 s ASP 117 N -3.30 -0.21 0.55 3.99 -1.08 0.53 -4.90 116.67 112.26 1wk1 s ASP 117 Ca 0.54 -0.13 -0.21 0.00 -0.52 0.00 0.00 52.55 52.22 1wk1 s ASP 117 Cb -0.10 0.32 -0.05 0.00 -1.46 0.00 0.00 42.92 41.63 1wk1 s ASP 117 CO 0.34 -0.55 1.33 1.07 0.52 0.00 0.00 175.17 177.89 1wk1 n THR 118 N -0.31 3.88 0.17 1.71 5.66 -1.26 -2.44 114.28 121.68 1wk1 n THR 118 Ca -0.06 -0.50 -0.08 0.00 -3.05 0.00 0.00 64.05 60.36 1wk1 n THR 118 Cb 0.61 -1.63 0.08 0.00 -1.55 0.00 0.00 70.33 67.84 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 -0.08 1.74 -2.27 0.00 0.00 -1.26 -3.66 120.51 114.97 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 0.91 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.33 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 -1.23 3.86 -0.41 0.00 2.01 -1.22 -4.69 115.64 113.95 1wk1 s THR 121 Ca 0.00 1.20 -0.28 0.00 0.31 0.00 0.00 61.69 62.92 1wk1 s THR 121 Cb 0.00 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1wk1 s THR 121 CO 0.00 -0.02 1.74 -2.16 -0.69 0.00 0.00 174.62 173.50 1wk1 s PRO 122 N 2.54 3.21 0.04 4.92 0.04 -1.26 -4.08 135.00 140.42 1wk1 s PRO 122 Ca 0.62 1.14 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 1wk1 s PRO 122 Cb -0.29 -4.21 -0.03 0.00 0.04 0.00 0.00 34.50 30.00 1wk1 s PRO 122 CO 0.25 -2.01 -0.02 1.03 0.04 0.00 0.00 177.00 176.29 1wk1 s ARG 123 N 5.86 0.55 0.89 4.56 0.52 -1.16 -4.63 118.95 125.54 1wk1 s ARG 123 Ca 0.73 -1.07 -0.11 0.00 -0.52 0.00 0.00 55.73 54.76 1wk1 s ARG 123 Cb -0.18 0.19 0.13 0.00 0.52 0.00 0.00 34.95 35.60 1wk1 s ARG 123 CO 0.30 -0.10 1.09 -1.25 0.02 0.00 0.00 175.30 175.36 1wk1 s PRO 124 N -3.36 1.31 0.27 3.54 0.04 -1.26 -1.25 135.00 134.28 1wk1 s PRO 124 Ca 0.02 0.84 -0.07 0.00 0.04 0.00 0.00 61.00 61.82 1wk1 s PRO 124 Cb 0.04 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.76 1wk1 s PRO 124 CO -0.08 -2.21 0.41 -0.59 0.04 0.00 0.00 177.00 174.56 1wk1 s PHE 125 N -2.93 0.72 -0.11 0.56 -0.71 -1.26 -0.02 117.98 114.23 1wk1 s PHE 125 Ca 0.63 -1.02 -0.00 0.00 -1.04 0.00 0.00 56.93 55.50 1wk1 s PHE 125 Cb -0.18 -0.04 0.02 0.00 -1.21 0.00 0.00 43.02 41.62 1wk1 s PHE 125 CO 0.57 -0.96 -0.08 0.42 -1.34 0.00 0.00 175.22 173.82 1wk1 s ILE 126 N -3.77 1.08 0.31 -4.49 1.01 -1.26 -2.49 121.20 111.59 1wk1 s ILE 126 Ca 0.28 -0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.52 1wk1 s ILE 126 Cb 0.01 -1.09 -0.06 0.00 0.01 0.00 0.00 42.46 41.33 1wk1 s ILE 126 CO 0.13 0.38 0.62 0.00 0.00 0.00 0.00 174.94 176.06 1wk1 s GLN 128 N -3.40 0.36 1.12 0.00 0.74 0.31 -1.21 119.66 117.58 1wk1 s GLN 128 Ca 0.47 0.83 -0.19 0.00 0.05 0.00 0.00 55.36 56.53 1wk1 s GLN 128 Cb -0.11 0.04 0.28 0.00 1.10 0.00 0.00 33.01 34.33 1wk1 s GLN 128 CO 0.27 -0.18 0.96 0.36 -0.55 0.00 0.00 175.29 176.15 1wk1 n LYS 129 N 4.53 -3.06 -0.73 1.67 2.85 -1.26 -1.86 118.16 120.30 1wk1 n LYS 129 Ca -0.20 -1.54 -0.06 0.00 -1.05 0.00 0.00 58.31 55.46 1wk1 n LYS 129 Cb 0.54 -1.48 -0.09 0.00 -0.65 0.00 0.00 35.03 33.35 1wk1 n LYS 129 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1wk1 n HIS 130 N -4.69 0.00 -3.17 5.58 8.25 -1.26 -4.71 115.22 115.23 1wk1 n HIS 130 Ca 0.13 -1.19 -0.20 0.00 -0.26 0.00 0.00 57.72 56.21 1wk1 n HIS 130 Cb 0.53 -1.07 -0.04 0.00 1.12 0.00 0.00 29.99 30.53 1wk1 n HIS 130 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1wk1 n ARG 131 N 2.11 -1.53 -3.58 -0.41 0.63 -1.26 -4.82 116.66 107.81 1wk1 n ARG 131 Ca 0.23 0.07 -0.16 0.00 -0.92 0.00 0.00 57.85 57.06 1wk1 n ARG 131 Cb 0.68 -3.69 -0.07 0.00 0.45 0.00 0.00 32.46 29.84 1wk1 n ARG 131 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1wk1 s TYR 132 N -2.29 -0.72 -0.42 -0.14 6.14 -1.26 -5.13 117.35 113.53 1wk1 s TYR 132 Ca 0.39 1.53 -0.06 0.00 0.64 0.00 0.00 57.07 59.57 1wk1 s TYR 132 Cb -0.23 0.34 0.10 0.00 0.42 0.00 0.00 41.96 42.59 1wk1 s TYR 132 CO 0.48 -0.49 0.24 0.34 0.64 0.00 0.00 175.55 176.76 1wk1 s ASP 133 N -0.38 5.44 0.43 4.32 2.15 -1.26 -5.02 116.67 122.34 1wk1 s ASP 133 Ca -0.05 -1.82 0.06 0.00 0.43 0.00 0.00 52.55 51.17 1wk1 s ASP 133 Cb -0.03 -1.91 -0.06 0.00 -0.30 0.00 0.00 42.92 40.63 1wk1 s ASP 133 CO 0.05 -0.56 0.05 -0.94 -0.17 0.00 0.00 175.17 173.60 1wk1 s SER 134 N 2.08 4.05 -0.51 -0.34 1.04 -1.26 -5.11 113.70 113.64 1wk1 s SER 134 Ca 0.05 -1.37 0.04 0.00 0.48 0.00 0.00 55.95 55.15 1wk1 s SER 134 Cb -0.24 -0.21 0.16 0.00 0.10 0.00 0.00 66.02 65.83 1wk1 s SER 134 CO -0.02 -0.57 0.35 -1.81 0.98 0.00 0.00 173.24 172.18 1wk1 s ASP 135 N -3.79 3.31 -0.13 7.02 1.01 -1.26 -4.95 116.67 117.88 1wk1 s ASP 135 Ca 0.30 -3.15 -0.26 0.00 0.71 0.00 0.00 52.55 50.15 1wk1 s ASP 135 Cb 0.07 -1.03 -0.26 0.00 1.01 0.00 0.00 42.92 42.71 1wk1 s ASP 135 CO 0.16 -0.18 0.70 -0.74 0.21 0.00 0.00 175.17 175.32 1wk1 h HIS 136 N 5.96 0.11 -3.42 4.23 2.76 -2.04 -3.45 115.15 119.30 1wk1 h HIS 136 Ca 0.13 -0.08 -0.59 0.00 -2.20 0.00 0.00 60.37 57.62 1wk1 h HIS 136 Cb 0.87 -0.00 -0.10 0.00 1.55 0.00 0.00 27.41 29.72 1wk1 h HIS 136 CO 0.48 1.15 -0.17 0.21 -1.30 0.00 0.00 177.93 178.30 1wk1 s LYS 137 N -2.29 4.23 0.15 5.26 2.20 -1.26 -5.05 119.74 122.98 1wk1 s LYS 137 Ca -0.20 0.29 -0.31 0.00 -0.36 0.00 0.00 55.97 55.40 1wk1 s LYS 137 Cb -0.01 -3.51 -0.08 0.00 -1.51 0.00 0.00 37.83 32.73 1wk1 s LYS 137 CO 0.70 0.01 1.34 -1.25 -0.36 0.00 0.00 175.35 175.80 1wk1 s PRO 138 N 1.12 4.36 -1.12 4.03 0.04 -1.26 -4.97 135.00 137.20 1wk1 s PRO 138 Ca 0.21 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 63.21 1wk1 s PRO 138 Cb -0.15 -3.23 0.28 0.00 0.04 0.00 0.00 34.50 31.44 1wk1 s PRO 138 CO 0.08 -0.34 1.15 0.27 0.04 0.00 0.00 177.00 178.20 1wk1 n ASN 139 N 3.37 5.55 -3.69 6.66 6.94 -1.26 -4.97 115.26 127.87 1wk1 n ASN 139 Ca 0.09 -3.05 -0.14 0.00 -0.02 0.00 0.00 54.58 51.45 1wk1 n ASN 139 Cb 0.43 -1.38 -0.08 0.00 -2.36 0.00 0.00 39.78 36.38 1wk1 n ASN 139 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1wk1 s THR 140 N -1.22 0.02 -0.28 5.53 -4.23 -1.26 -5.14 115.64 109.06 1wk1 s THR 140 Ca 0.32 -0.19 -0.00 0.00 -1.18 0.00 0.00 61.69 60.63 1wk1 s THR 140 Cb -0.09 -0.73 0.05 0.00 1.34 0.00 0.00 72.50 73.07 1wk1 s THR 140 CO -0.07 -0.11 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.22 1wk1 s ILE 141 N -0.73 2.67 -0.35 2.99 1.01 -1.26 -5.07 121.20 120.45 1wk1 s ILE 141 Ca -0.08 -1.41 0.02 0.00 0.00 0.00 0.00 60.65 59.18 1wk1 s ILE 141 Cb -0.03 -2.51 0.10 0.00 0.01 0.00 0.00 42.46 40.03 1wk1 s ILE 141 CO 0.04 -0.02 0.08 -0.83 0.00 0.00 0.00 174.94 174.21 1wk1 s GLY 142 N 1.21 1.94 0.00 6.18 0.00 -1.26 -4.86 107.32 110.53 1wk1 s GLY 142 Ca -0.06 -2.51 0.00 0.00 0.00 0.00 0.00 44.72 42.15 1wk1 s GLY 142 CO -0.03 0.95 0.00 1.22 0.00 0.00 0.00 173.10 175.24 1wk1 n ASP 143 N 4.34 1.06 -4.29 1.64 8.00 -1.26 -5.03 116.55 121.02 1wk1 n ASP 143 Ca 0.02 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.15 1wk1 n ASP 143 Cb 0.42 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.47 1wk1 n ASP 143 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wk1 n ALA 144 N -2.50 -1.37 -2.45 2.24 0.00 -1.26 -4.93 120.51 110.24 1wk1 n ALA 144 Ca 0.00 -0.11 -0.27 0.00 0.00 0.00 0.00 53.44 53.06 1wk1 n ALA 144 Cb 0.30 -2.89 -0.13 0.00 0.00 0.00 0.00 19.45 16.73 1wk1 n ALA 144 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wk1 s SER 145 N -3.46 2.86 0.00 0.00 0.01 -1.26 -5.03 113.70 106.82 1wk1 s SER 145 Ca 0.65 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.26 1wk1 s SER 145 Cb -0.36 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.66 1wk1 s SER 145 CO 0.95 0.16 0.00 0.61 0.41 0.00 0.00 173.24 175.37 1wk1 n GLY 146 N 1.35 -1.80 3.62 3.44 0.00 -1.26 -5.18 105.19 105.36 1wk1 n GLY 146 Ca -0.18 0.64 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.74 -0.30 1.61 0.04 -1.26 -5.09 135.00 129.26 1wk1 s PRO 147 Ca 0.00 0.11 -0.14 0.00 0.04 0.00 0.00 61.00 61.00 1wk1 s PRO 147 Cb 0.00 -1.64 0.15 0.00 0.04 0.00 0.00 34.50 33.05 1wk1 s PRO 147 CO 0.00 -3.43 0.89 -1.12 0.04 0.00 0.00 177.00 173.38 1wk1 s SER 148 N -3.75 -0.71 -0.21 6.66 0.01 -1.26 -5.15 113.70 109.28 1wk1 s SER 148 Ca 0.69 1.03 -0.04 0.00 1.31 0.00 0.00 55.95 58.94 1wk1 s SER 148 Cb -0.13 1.66 -0.01 0.00 0.21 0.00 0.00 66.02 67.75 1wk1 s SER 148 CO 0.57 -0.15 -0.03 -0.55 0.41 0.00 0.00 173.24 173.49 1wk1 s SER 149 N 2.20 4.48 0.00 2.44 0.15 -1.26 -5.38 113.70 116.33 1wk1 s SER 149 Ca -0.06 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1wk1 s SER 149 Cb -0.07 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 1wk1 s SER 149 CO -0.17 0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.88