#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 1.45 -3.81 1.61 7.64 -1.26 -5.02 113.62 114.23 1wk1 n SER 2 Ca 0.00 0.23 -0.26 0.00 1.01 0.00 0.00 58.87 59.85 1wk1 n SER 2 Cb 0.00 -0.54 0.03 0.00 -1.01 0.00 0.00 64.21 62.69 1wk1 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wk1 n SER 3 N -3.95 -3.57 -3.90 6.43 2.88 -1.26 -4.94 113.62 105.31 1wk1 n SER 3 Ca -0.15 -0.77 -0.29 0.00 -1.33 0.00 0.00 58.87 56.33 1wk1 n SER 3 Cb 0.42 -4.05 -0.11 0.00 -0.75 0.00 0.00 64.21 59.71 1wk1 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wk1 n GLY 4 N -1.67 4.07 3.90 0.46 0.00 -1.26 -4.83 105.19 105.87 1wk1 n GLY 4 Ca -0.09 -2.61 -0.27 0.00 0.00 0.00 0.00 46.02 43.05 1wk1 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wk1 n SER 5 N 1.92 -2.38 -4.22 1.61 7.64 -1.26 -4.92 113.62 112.01 1wk1 n SER 5 Ca 0.20 -0.88 -0.42 0.00 1.01 0.00 0.00 58.87 58.79 1wk1 n SER 5 Cb 0.35 -3.57 -0.07 0.00 -1.01 0.00 0.00 64.21 59.92 1wk1 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wk1 s SER 6 N -3.89 5.92 0.00 6.43 0.01 -1.26 -4.87 113.70 116.05 1wk1 s SER 6 Ca 0.31 -2.48 0.00 0.00 1.31 0.00 0.00 55.95 55.09 1wk1 s SER 6 Cb -0.16 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.03 1wk1 s SER 6 CO 0.85 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 174.56 1wk1 n GLY 7 N 4.14 2.32 3.73 3.44 0.00 -1.26 -4.40 105.19 113.16 1wk1 n GLY 7 Ca 0.04 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 2.35 2.32 0.23 1.61 1.01 -1.26 -4.91 120.40 121.74 1wk1 s VAL 8 Ca 0.00 0.24 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 1wk1 s VAL 8 Cb 0.00 -3.15 -0.07 0.00 0.00 0.00 0.00 36.38 33.16 1wk1 s VAL 8 CO 0.00 0.02 0.54 -0.54 0.00 0.00 0.00 175.10 175.12 1wk1 s LYS 9 N 0.79 3.78 0.17 2.72 1.02 -1.26 -5.09 119.74 121.87 1wk1 s LYS 9 Ca 0.70 0.24 0.03 0.00 0.02 0.00 0.00 55.97 56.96 1wk1 s LYS 9 Cb -0.46 -2.66 -0.03 0.00 -0.52 0.00 0.00 37.83 34.15 1wk1 s LYS 9 CO 0.35 0.32 0.27 -0.06 -0.92 0.00 0.00 175.35 175.31 1wk1 s PHE 10 N -1.82 3.41 -1.54 3.18 0.08 -1.26 -4.47 117.98 115.56 1wk1 s PHE 10 Ca 0.47 0.07 -0.10 0.00 0.12 0.00 0.00 56.93 57.48 1wk1 s PHE 10 Cb -0.11 -1.62 0.08 0.00 -0.57 0.00 0.00 43.02 40.80 1wk1 s PHE 10 CO 0.22 0.50 0.70 1.28 -0.10 0.00 0.00 175.22 177.82 1wk1 n LEU 11 N -0.68 -2.15 -3.78 -0.37 4.77 -0.29 -4.96 117.00 109.53 1wk1 n LEU 11 Ca -0.08 -0.95 -0.13 0.00 -0.03 0.00 0.00 56.01 54.83 1wk1 n LEU 11 Cb 0.55 -2.27 -0.12 0.00 -2.33 0.00 0.00 43.42 39.25 1wk1 n LEU 11 CO 0.47 0.39 -0.10 0.42 -1.33 0.00 0.00 177.39 177.24 1wk1 s THR 12 N -3.54 -0.00 -0.47 -5.08 -4.23 -1.26 -5.05 115.64 96.00 1wk1 s THR 12 Ca 0.43 0.01 -0.29 0.00 -1.18 0.00 0.00 61.69 60.66 1wk1 s THR 12 Cb -0.23 -0.35 0.02 0.00 1.34 0.00 0.00 72.50 73.29 1wk1 s THR 12 CO 0.89 0.00 1.28 -0.69 -0.54 0.00 0.00 174.62 175.56 1wk1 s VAL 13 N 0.20 4.03 -0.35 2.29 1.01 -1.26 -4.41 120.40 121.91 1wk1 s VAL 13 Ca -0.01 1.03 -0.25 0.00 0.00 0.00 0.00 61.98 62.75 1wk1 s VAL 13 Cb -0.02 -4.44 0.01 0.00 0.00 0.00 0.00 36.38 31.93 1wk1 s VAL 13 CO -0.00 -0.95 0.90 0.20 0.00 0.00 0.00 175.10 175.25 1wk1 s ASN 14 N 3.28 6.69 0.23 3.32 0.01 -1.12 -4.94 114.94 122.42 1wk1 s ASN 14 Ca 0.53 0.62 -0.16 0.00 -0.71 0.00 0.00 52.86 53.15 1wk1 s ASN 14 Cb -0.10 -2.46 0.26 0.00 0.41 0.00 0.00 41.25 39.37 1wk1 s ASN 14 CO 0.31 -0.80 1.50 0.47 -1.51 0.00 0.00 177.10 177.08 1wk1 n ASP 15 N 6.64 -0.59 -3.66 -1.22 8.00 -1.26 -4.23 116.55 120.22 1wk1 n ASP 15 Ca 0.07 1.69 -0.37 0.00 0.71 0.00 0.00 54.79 56.88 1wk1 n ASP 15 Cb 0.48 -0.40 -0.12 0.00 -0.02 0.00 0.00 41.12 41.06 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 -5.45 0.33 -4.73 -2.24 9.92 -1.26 -4.58 116.55 108.54 1wk1 n ASP 16 Ca 0.11 0.24 -0.41 0.00 -0.53 0.00 0.00 54.79 54.20 1wk1 n ASP 16 Cb 0.40 -0.76 -0.04 0.00 -0.64 0.00 0.00 41.12 40.09 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 6.85 4.35 -0.12 0.53 -4.36 -1.26 -4.55 121.20 122.64 1wk1 s ILE 17 Ca 1.09 1.90 -0.14 0.00 -0.26 0.00 0.00 60.65 63.24 1wk1 s ILE 17 Cb -1.09 -4.21 0.03 0.00 1.25 0.00 0.00 42.46 38.45 1wk1 s ILE 17 CO 0.44 0.26 0.37 -0.76 0.24 0.00 0.00 174.94 175.49 1wk1 s LEU 18 N 0.16 0.59 1.07 0.37 1.43 -0.08 -4.65 118.68 117.56 1wk1 s LEU 18 Ca 0.49 0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 54.12 1wk1 s LEU 18 Cb -0.25 1.32 0.22 0.00 0.03 0.00 0.00 46.19 47.50 1wk1 s LEU 18 CO 0.31 -0.20 1.01 -1.54 0.23 0.00 0.00 176.35 176.16 1wk1 n SER 19 N 2.55 -0.96 -0.04 2.29 3.41 -1.26 -3.17 113.62 116.44 1wk1 n SER 19 Ca -0.15 0.08 -0.08 0.00 -0.26 0.00 0.00 58.87 58.47 1wk1 n SER 19 Cb 0.57 -1.33 -0.02 0.00 -0.26 0.00 0.00 64.21 63.17 1wk1 n SER 19 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1wk1 h MET 20 N -2.33 -0.14 0.00 4.33 4.05 -1.78 0.60 114.93 119.66 1wk1 h MET 20 Ca -0.53 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 1wk1 h MET 20 Cb 1.31 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.14 1wk1 h MET 20 CO 0.45 -0.09 0.00 -0.35 0.23 0.00 0.00 176.91 177.14 1wk1 n PRO 21 N -5.31 0.29 -0.06 0.39 -0.04 -1.26 -2.38 135.00 126.63 1wk1 n PRO 21 Ca -0.01 0.10 -0.07 0.00 -0.04 0.00 0.00 63.50 63.49 1wk1 n PRO 21 Cb 0.23 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.09 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 1.82 0.08 0.54 1.13 0.25 -4.38 117.38 115.62 1wk1 n GLN 22 Ca 0.08 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.10 1wk1 n GLN 22 Cb 0.10 -1.32 -0.03 0.00 0.11 0.00 0.00 30.24 29.10 1wk1 n GLN 22 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wk1 h ALA 23 N 0.56 -0.29 -0.95 -1.58 0.00 0.35 -2.87 119.26 114.48 1wk1 h ALA 23 Ca -0.34 -0.08 0.25 0.00 0.00 0.00 0.00 54.91 54.75 1wk1 h ALA 23 Cb 1.75 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 19.52 1wk1 h ALA 23 CO 0.01 -0.28 0.48 0.07 0.00 0.00 0.00 179.25 179.53 1wk1 h ARG 24 N -1.07 0.40 -0.18 0.00 0.11 -1.71 0.68 114.38 112.60 1wk1 h ARG 24 Ca -0.03 -0.02 -0.08 0.00 0.10 0.00 0.00 59.98 59.95 1wk1 h ARG 24 Cb 0.25 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.23 1wk1 h ARG 24 CO 0.05 0.27 -0.24 -0.97 0.10 0.00 0.00 179.97 179.18 1wk1 h ASN 25 N 0.41 0.33 0.20 0.08 -1.24 -1.76 -2.76 115.58 110.84 1wk1 h ASN 25 Ca 0.63 -0.10 -0.01 0.00 0.71 0.00 0.00 56.30 57.53 1wk1 h ASN 25 Cb 1.27 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.23 1wk1 h ASN 25 CO -0.55 0.58 -0.09 0.15 -1.29 0.00 0.00 177.43 176.22 1wk1 h PHE 26 N 0.30 -0.24 -0.93 0.67 3.04 0.56 -2.97 116.94 117.36 1wk1 h PHE 26 Ca 0.05 -0.01 0.20 0.00 3.98 0.00 0.00 57.97 62.19 1wk1 h PHE 26 Cb 0.59 0.08 -0.18 0.00 2.56 0.00 0.00 35.95 39.00 1wk1 h PHE 26 CO 0.01 -0.15 -0.18 0.00 -2.02 0.00 0.00 178.31 175.97 1wk1 h ALA 28 N 1.93 0.86 -0.61 0.00 0.00 -1.28 0.15 119.26 120.31 1wk1 h ALA 28 Ca 0.47 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.45 1wk1 h ALA 28 Cb 0.77 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1wk1 h ALA 28 CO -0.94 -0.25 0.20 1.03 0.00 0.00 0.00 179.25 179.29 1wk1 h SER 29 N 0.35 0.88 -0.25 0.00 0.87 0.28 -2.71 113.55 112.97 1wk1 h SER 29 Ca 0.35 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 1wk1 h SER 29 Cb 0.52 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 1wk1 h SER 29 CO -0.39 0.84 -0.05 0.00 -0.53 0.00 0.00 176.83 176.71 1wk1 h ALA 30 N 1.07 1.24 0.00 6.23 0.00 0.04 -3.46 119.26 124.38 1wk1 h ALA 30 Ca 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wk1 h ALA 30 Cb 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wk1 h ALA 30 CO -0.01 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.15 1wk1 n GLY 31 N -0.72 0.89 0.00 0.00 0.00 0.34 -4.75 105.19 100.96 1wk1 n GLY 31 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1wk1 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wk1 n GLY 32 N 0.00 3.22 3.53 -0.02 0.00 -0.19 -4.63 105.19 107.09 1wk1 n GLY 32 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.45 -0.50 0.08 1.61 -0.85 -0.71 -2.72 117.35 111.81 1wk1 s TYR 33 Ca 0.00 0.76 -0.36 0.00 -0.52 0.00 0.00 57.07 56.96 1wk1 s TYR 33 Cb 0.00 0.45 -0.19 0.00 0.38 0.00 0.00 41.96 42.61 1wk1 s TYR 33 CO 0.00 -0.51 0.91 1.28 -1.52 0.00 0.00 175.55 175.71 1wk1 n LEU 34 N 0.61 -0.22 -4.62 -3.49 4.77 -1.26 0.61 117.00 113.40 1wk1 n LEU 34 Ca -0.14 1.15 -0.43 0.00 -0.03 0.00 0.00 56.01 56.56 1wk1 n LEU 34 Cb 0.59 -0.96 -0.03 0.00 -2.33 0.00 0.00 43.42 40.68 1wk1 n LEU 34 CO 0.18 -2.17 0.85 0.00 -1.33 0.00 0.00 177.39 174.93 1wk1 s ALA 35 N -0.31 3.46 0.96 -1.18 0.00 -0.18 -4.42 121.76 120.09 1wk1 s ALA 35 Ca 0.81 -0.24 -0.12 0.00 0.00 0.00 0.00 51.96 52.41 1wk1 s ALA 35 Cb -1.12 -3.59 0.17 0.00 0.00 0.00 0.00 23.12 18.57 1wk1 s ALA 35 CO 0.56 -1.52 1.09 -0.51 0.00 0.00 0.00 175.76 175.38 1wk1 s ASP 36 N 1.75 2.80 -0.49 0.00 1.01 -1.26 -3.58 116.67 116.90 1wk1 s ASP 36 Ca 0.42 1.61 0.08 0.00 0.71 0.00 0.00 52.55 55.36 1wk1 s ASP 36 Cb -0.12 -2.26 0.28 0.00 1.01 0.00 0.00 42.92 41.83 1wk1 s ASP 36 CO 0.17 -3.08 0.69 0.47 0.21 0.00 0.00 175.17 173.63 1wk1 n ASP 37 N -4.18 2.02 -4.05 0.27 9.92 -1.26 -4.89 116.55 114.38 1wk1 n ASP 37 Ca 0.07 -3.13 -0.34 0.00 -0.53 0.00 0.00 54.79 50.87 1wk1 n ASP 37 Cb 0.54 -0.63 -0.12 0.00 -0.64 0.00 0.00 41.12 40.27 1wk1 n ASP 37 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1wk1 s LEU 38 N -2.15 4.89 0.00 0.64 2.34 -1.26 -4.76 118.68 118.38 1wk1 s LEU 38 Ca 0.40 -2.61 0.00 0.00 0.06 0.00 0.00 54.13 51.98 1wk1 s LEU 38 Cb 0.21 -1.75 0.00 0.00 -0.56 0.00 0.00 46.19 44.10 1wk1 s LEU 38 CO -0.08 -0.37 0.00 0.61 -1.06 0.00 0.00 176.35 175.45 1wk1 n GLY 39 N 3.74 4.32 0.29 -3.48 0.00 -1.26 -4.81 105.19 104.00 1wk1 n GLY 39 Ca 0.04 -0.67 0.07 0.00 0.00 0.00 0.00 46.02 45.47 1wk1 n GLY 39 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1wk1 h ASP 40 N 0.00 0.35 -0.50 1.61 2.03 -1.99 0.23 116.42 118.15 1wk1 h ASP 40 Ca 0.00 0.11 -0.07 0.00 -0.73 0.00 0.00 57.03 56.34 1wk1 h ASP 40 Cb 0.00 0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 38.56 1wk1 h ASP 40 CO 0.00 0.11 0.02 -0.78 -1.03 0.00 0.00 179.24 177.56 1wk1 h ASP 41 N 0.48 0.84 0.79 4.15 1.82 -1.99 -0.94 116.42 121.57 1wk1 h ASP 41 Ca 0.45 -0.30 -0.04 0.00 -0.39 0.00 0.00 57.03 56.76 1wk1 h ASP 41 Cb 0.71 -0.23 0.01 0.00 0.68 0.00 0.00 39.33 40.50 1wk1 h ASP 41 CO -0.42 0.93 -0.38 0.50 -1.61 0.00 0.00 179.24 178.27 1wk1 h LYS 42 N 0.73 -1.02 0.06 0.28 1.63 -1.41 -2.44 116.57 114.40 1wk1 h LYS 42 Ca 0.14 0.07 0.03 0.00 -0.85 0.00 0.00 60.65 60.04 1wk1 h LYS 42 Cb 0.49 0.23 -0.05 0.00 -0.60 0.00 0.00 32.23 32.30 1wk1 h LYS 42 CO 0.02 -0.68 -0.36 -0.97 -3.45 0.00 0.00 179.45 174.01 1wk1 h ASN 43 N -1.28 -1.07 -0.78 4.20 -1.24 -0.68 -2.16 115.58 112.57 1wk1 h ASN 43 Ca -0.11 0.13 0.16 0.00 0.71 0.00 0.00 56.30 57.19 1wk1 h ASN 43 Cb 0.81 0.41 -0.15 0.00 0.73 0.00 0.00 38.32 40.13 1wk1 h ASN 43 CO 0.18 -0.43 -0.20 0.78 -1.29 0.00 0.00 177.43 176.47 1wk1 h ASN 44 N -0.55 -0.74 -0.73 1.15 2.35 -1.24 0.40 115.58 116.22 1wk1 h ASN 44 Ca 0.04 0.24 0.10 0.00 -0.55 0.00 0.00 56.30 56.13 1wk1 h ASN 44 Cb 0.61 0.49 -0.07 0.00 0.05 0.00 0.00 38.32 39.40 1wk1 h ASN 44 CO -0.25 -0.26 0.36 0.15 -1.65 0.00 0.00 177.43 175.78 1wk1 h PHE 45 N -0.00 0.64 0.34 1.19 3.57 -0.89 -2.78 116.94 119.01 1wk1 h PHE 45 Ca 0.37 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.89 1wk1 h PHE 45 Cb 0.57 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1wk1 h PHE 45 CO -0.62 0.22 -0.17 1.88 -2.23 0.00 0.00 178.31 177.39 1wk1 h TYR 46 N 0.60 -0.43 -0.73 0.41 0.05 0.11 -3.17 116.97 113.81 1wk1 h TYR 46 Ca 0.36 -0.01 0.26 0.00 0.05 0.00 0.00 58.73 59.40 1wk1 h TYR 46 Cb 0.40 0.14 -0.13 0.00 1.01 0.00 0.00 36.73 38.15 1wk1 h TYR 46 CO -0.11 -0.09 0.24 0.45 -1.05 0.00 0.00 178.16 177.60 1wk1 n SER 47 N -5.14 0.11 0.39 3.88 2.88 0.60 0.51 113.62 116.86 1wk1 n SER 47 Ca -0.09 1.23 -0.18 0.00 -1.33 0.00 0.00 58.87 58.50 1wk1 n SER 47 Cb 0.27 -0.54 -0.09 0.00 -0.75 0.00 0.00 64.21 63.11 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 -1.14 0.69 -3.46 0.02 -1.48 -2.37 113.55 105.81 1wk1 h SER 48 Ca 0.55 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.56 1wk1 h SER 48 Cb 1.35 0.33 0.00 0.00 0.14 0.00 0.00 62.40 64.22 1wk1 h SER 48 CO -0.62 -0.69 0.00 0.16 -1.14 0.00 0.00 176.83 174.55 1wk1 h ILE 49 N -1.10 0.00 -0.23 3.27 3.07 -0.18 -2.46 117.51 119.89 1wk1 h ILE 49 Ca -0.10 -0.32 -0.06 0.00 1.55 0.00 0.00 64.86 65.93 1wk1 h ILE 49 Cb 0.88 1.25 -0.04 0.00 -0.27 0.00 0.00 36.82 38.64 1wk1 h ILE 49 CO 0.09 0.00 0.08 0.00 -1.05 0.00 0.00 178.15 177.27 1wk1 n ALA 50 N -2.02 3.14 -1.48 0.16 0.00 0.18 -4.86 120.51 115.63 1wk1 n ALA 50 Ca -0.00 -0.70 -0.43 0.00 0.00 0.00 0.00 53.44 52.30 1wk1 n ALA 50 Cb 0.23 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.50 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 0.11 0.62 -4.14 0.00 0.00 -0.93 -0.86 120.51 115.32 1wk1 n ALA 51 Ca 0.12 -0.39 -0.34 0.00 0.00 0.00 0.00 53.44 52.83 1wk1 n ALA 51 Cb 0.67 -2.60 -0.01 0.00 0.00 0.00 0.00 19.45 17.51 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 11.72 -3.47 -3.72 0.00 0.23 -1.23 -4.91 115.26 113.88 1wk1 n ASN 52 Ca 0.51 -0.96 -0.19 0.00 -0.53 0.00 0.00 54.58 53.40 1wk1 n ASN 52 Cb 0.22 -3.03 -0.17 0.00 -2.08 0.00 0.00 39.78 34.72 1wk1 n ASN 52 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1wk1 s THR 53 N -3.33 0.01 -0.21 5.53 2.01 -0.04 -4.66 115.64 114.95 1wk1 s THR 53 Ca 0.68 0.31 -0.13 0.00 0.31 0.00 0.00 61.69 62.86 1wk1 s THR 53 Cb -0.36 -0.22 -0.05 0.00 0.01 0.00 0.00 72.50 71.88 1wk1 s THR 53 CO 0.90 0.18 0.26 -1.10 -0.69 0.00 0.00 174.62 174.17 1wk1 s GLN 54 N 1.84 4.14 0.03 4.92 1.11 -1.26 -3.44 119.66 127.01 1wk1 s GLN 54 Ca 0.01 -0.05 0.03 0.00 0.01 0.00 0.00 55.36 55.36 1wk1 s GLN 54 Cb -0.12 -3.52 -0.02 0.00 -1.01 0.00 0.00 33.01 28.34 1wk1 s GLN 54 CO -0.03 0.06 -0.08 -0.59 0.01 0.00 0.00 175.29 174.65 1wk1 s PHE 55 N 1.04 0.73 0.80 0.91 -0.71 -1.23 -3.94 117.98 115.57 1wk1 s PHE 55 Ca 0.13 -0.36 -0.13 0.00 -1.04 0.00 0.00 56.93 55.52 1wk1 s PHE 55 Cb -0.14 -0.44 0.08 0.00 -1.21 0.00 0.00 43.02 41.31 1wk1 s PHE 55 CO 0.05 -0.04 1.20 -1.58 -1.34 0.00 0.00 175.22 173.51 1wk1 s TRP 56 N -0.94 1.85 0.31 3.49 0.23 0.14 -2.30 118.94 121.72 1wk1 s TRP 56 Ca -0.04 1.67 0.06 0.00 -2.03 0.00 0.00 56.10 55.75 1wk1 s TRP 56 Cb -0.07 -3.46 -0.02 0.00 0.03 0.00 0.00 33.47 29.94 1wk1 s TRP 56 CO 0.00 -2.78 0.21 0.44 0.96 0.00 0.00 176.95 175.79 1wk1 n ILE 57 N -3.26 0.00 0.37 2.03 -5.35 -1.25 -4.14 119.36 107.76 1wk1 n ILE 57 Ca 0.13 -2.14 0.14 0.00 -0.27 0.00 0.00 62.75 60.61 1wk1 n ILE 57 Cb 0.51 0.98 0.54 0.00 -1.74 0.00 0.00 39.64 39.93 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 1.70 0.00 -5.01 3.28 0.00 -1.77 -3.43 103.07 97.83 1wk1 h GLY 58 Ca -0.23 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.54 1wk1 h GLY 58 CO 0.35 0.00 0.82 -2.27 0.00 0.00 0.00 176.54 175.44 1wk1 s LEU 59 N -5.04 4.21 -0.13 3.11 2.96 -1.25 0.12 118.68 122.66 1wk1 s LEU 59 Ca 0.04 1.72 -0.18 0.00 -0.22 0.00 0.00 54.13 55.48 1wk1 s LEU 59 Cb 0.09 -3.55 0.05 0.00 0.50 0.00 0.00 46.19 43.28 1wk1 s LEU 59 CO 0.45 -0.69 0.47 0.72 -1.32 0.00 0.00 176.35 175.99 1wk1 s PHE 60 N 3.00 -0.48 0.31 5.38 -0.12 -0.54 -3.03 117.98 122.51 1wk1 s PHE 60 Ca 0.55 1.06 -0.27 0.00 -0.05 0.00 0.00 56.93 58.22 1wk1 s PHE 60 Cb -0.22 0.19 -0.10 0.00 -0.63 0.00 0.00 43.02 42.26 1wk1 s PHE 60 CO 0.17 -0.33 0.95 0.21 -0.05 0.00 0.00 175.22 176.17 1wk1 s LYS 61 N -0.27 4.62 0.46 1.99 2.20 -0.58 -0.50 119.74 127.66 1wk1 s LYS 61 Ca -0.04 1.38 0.07 0.00 -0.36 0.00 0.00 55.97 57.02 1wk1 s LYS 61 Cb -0.03 -2.89 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 1wk1 s LYS 61 CO 0.03 0.30 0.44 1.21 -0.36 0.00 0.00 175.35 176.97 1wk1 s ASN 62 N -1.51 5.01 0.15 1.43 2.47 0.92 -4.81 114.94 118.60 1wk1 s ASN 62 Ca 0.49 -0.83 -0.24 0.00 0.42 0.00 0.00 52.86 52.69 1wk1 s ASN 62 Cb -0.21 -0.30 0.02 0.00 -1.45 0.00 0.00 41.25 39.31 1wk1 s ASN 62 CO 0.26 -0.82 1.61 0.28 -3.72 0.00 0.00 177.10 174.71 1wk1 h SER 63 N 0.86 -0.98 -1.17 -4.21 0.02 -1.98 0.55 113.55 106.66 1wk1 h SER 63 Ca -0.39 0.16 0.34 0.00 -0.84 0.00 0.00 61.79 61.06 1wk1 h SER 63 Cb 1.28 0.44 -0.11 0.00 0.14 0.00 0.00 62.40 64.15 1wk1 h SER 63 CO 0.55 -0.33 0.76 -0.78 -1.14 0.00 0.00 176.83 175.89 1wk1 h ASP 64 N -0.32 0.34 0.00 3.07 1.82 -2.04 -3.44 116.42 115.85 1wk1 h ASP 64 Ca 0.13 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.87 1wk1 h ASP 64 Cb 0.52 0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.60 1wk1 h ASP 64 CO -0.42 -0.04 0.00 0.61 -1.61 0.00 0.00 179.24 177.78 1wk1 n GLY 65 N -1.51 1.12 3.96 -0.78 0.00 0.19 -5.12 105.19 103.05 1wk1 n GLY 65 Ca 0.31 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.19 3.44 -0.08 1.61 -0.21 -1.26 -4.77 119.66 118.21 1wk1 s GLN 66 Ca 0.00 -0.71 -0.14 0.00 0.02 0.00 0.00 55.36 54.53 1wk1 s GLN 66 Cb 0.00 -2.91 -0.05 0.00 1.00 0.00 0.00 33.01 31.05 1wk1 s GLN 66 CO 0.00 0.45 0.35 -0.06 -2.12 0.00 0.00 175.29 173.92 1wk1 s PHE 67 N -1.92 3.61 0.41 0.91 0.08 -1.26 -0.06 117.98 119.75 1wk1 s PHE 67 Ca 0.34 0.81 0.03 0.00 0.12 0.00 0.00 56.93 58.24 1wk1 s PHE 67 Cb -0.10 -2.30 -0.03 0.00 -0.57 0.00 0.00 43.02 40.02 1wk1 s PHE 67 CO 0.29 0.47 0.09 0.71 -0.10 0.00 0.00 175.22 176.68 1wk1 s TYR 68 N -0.38 1.87 -0.03 0.36 1.51 0.35 -0.97 117.35 120.05 1wk1 s TYR 68 Ca 0.21 -1.13 0.04 0.00 -1.01 0.00 0.00 57.07 55.18 1wk1 s TYR 68 Cb -0.15 -1.29 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1wk1 s TYR 68 CO 0.09 -0.11 -0.12 -1.58 -1.11 0.00 0.00 175.55 172.72 1wk1 s TRP 69 N -3.15 2.75 -0.60 2.71 0.52 0.39 -1.47 118.94 120.09 1wk1 s TRP 69 Ca 0.24 -0.12 -0.28 0.00 0.02 0.00 0.00 56.10 55.96 1wk1 s TRP 69 Cb 0.04 -1.61 0.02 0.00 -1.15 0.00 0.00 33.47 30.77 1wk1 s TRP 69 CO 0.13 0.26 1.36 0.34 0.02 0.00 0.00 176.95 179.05 1wk1 s ASP 70 N -1.01 6.18 -0.49 2.95 -1.08 0.12 -2.81 116.67 120.53 1wk1 s ASP 70 Ca 0.13 0.13 0.03 0.00 -0.52 0.00 0.00 52.55 52.32 1wk1 s ASP 70 Cb -0.11 -2.55 0.49 0.00 -1.46 0.00 0.00 42.92 39.29 1wk1 s ASP 70 CO 0.03 -1.70 1.72 0.54 0.52 0.00 0.00 175.17 176.28 1wk1 n ARG 71 N 8.74 2.73 0.00 4.34 5.12 -1.26 -4.59 116.66 131.74 1wk1 n ARG 71 Ca 0.10 -3.46 0.00 0.00 -1.93 0.00 0.00 57.85 52.56 1wk1 n ARG 71 Cb 0.49 -2.20 0.00 0.00 -1.16 0.00 0.00 32.46 29.59 1wk1 n ARG 71 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wk1 n GLY 72 N -0.93 0.70 3.69 -0.13 0.00 -1.26 -4.57 105.19 102.69 1wk1 n GLY 72 Ca 0.53 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.25 4.37 0.00 1.61 -0.44 -1.26 -3.88 119.66 118.80 1wk1 s GLN 73 Ca 0.00 1.05 0.00 0.00 -2.50 0.00 0.00 55.36 53.91 1wk1 s GLN 73 Cb 0.00 -3.53 0.00 0.00 -1.64 0.00 0.00 33.01 27.84 1wk1 s GLN 73 CO 0.00 -0.20 0.00 0.41 0.50 0.00 0.00 175.29 176.00 1wk1 n GLY 74 N 3.29 1.97 3.71 2.59 0.00 -1.26 -4.97 105.19 110.51 1wk1 n GLY 74 Ca 0.03 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 1.96 -1.67 -0.61 2.08 -1.25 -4.84 119.36 115.02 1wk1 n ILE 75 Ca 0.00 -0.49 -0.46 0.00 0.56 0.00 0.00 62.75 62.36 1wk1 n ILE 75 Cb 0.00 -1.64 -0.04 0.00 -0.75 0.00 0.00 39.64 37.20 1wk1 n ILE 75 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1wk1 n ASN 76 N 0.77 3.67 -4.75 4.38 3.02 -1.26 -4.72 115.26 116.36 1wk1 n ASN 76 Ca 0.04 0.93 -0.41 0.00 -0.03 0.00 0.00 54.58 55.12 1wk1 n ASN 76 Cb 0.36 -1.42 -0.03 0.00 -0.61 0.00 0.00 39.78 38.08 1wk1 n ASN 76 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1wk1 s PRO 77 N 4.28 4.44 -0.25 3.52 0.04 -1.26 -4.73 135.00 141.03 1wk1 s PRO 77 Ca 0.92 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 63.79 1wk1 s PRO 77 Cb -0.61 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 30.77 1wk1 s PRO 77 CO 0.49 -0.12 0.70 0.34 0.04 0.00 0.00 177.00 178.45 1wk1 s ASP 78 N -0.25 6.67 0.58 6.66 -1.08 -1.12 -4.77 116.67 123.36 1wk1 s ASP 78 Ca 0.51 0.83 -0.18 0.00 -0.52 0.00 0.00 52.55 53.18 1wk1 s ASP 78 Cb -0.37 -2.37 -0.04 0.00 -1.46 0.00 0.00 42.92 38.68 1wk1 s ASP 78 CO 0.44 -0.42 1.13 -0.22 0.52 0.00 0.00 175.17 176.63 1wk1 s LEU 79 N 2.62 3.64 -0.72 -1.34 2.96 -1.26 0.15 118.68 124.72 1wk1 s LEU 79 Ca 0.29 2.15 -0.26 0.00 -0.22 0.00 0.00 54.13 56.10 1wk1 s LEU 79 Cb -0.15 -4.57 -0.01 0.00 0.50 0.00 0.00 46.19 41.95 1wk1 s LEU 79 CO 0.08 -1.38 1.72 -0.22 -1.32 0.00 0.00 176.35 175.23 1wk1 s LEU 80 N -4.13 3.25 -0.30 -0.68 2.96 -0.15 -4.79 118.68 114.84 1wk1 s LEU 80 Ca 0.72 -0.16 0.08 0.00 -0.22 0.00 0.00 54.13 54.55 1wk1 s LEU 80 Cb -0.24 -2.54 0.46 0.00 0.50 0.00 0.00 46.19 44.36 1wk1 s LEU 80 CO 0.32 -2.26 1.29 -3.20 -1.32 0.00 0.00 176.35 171.18 1wk1 n ASN 81 N 11.96 4.03 -4.80 3.68 2.85 -1.26 -4.98 115.26 126.74 1wk1 n ASN 81 Ca 0.21 -3.80 -0.36 0.00 -0.11 0.00 0.00 54.58 50.52 1wk1 n ASN 81 Cb 0.50 -0.47 -0.07 0.00 1.24 0.00 0.00 39.78 40.98 1wk1 n ASN 81 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wk1 s GLN 82 N -3.49 3.30 0.34 1.20 -2.07 -1.26 -5.00 119.66 112.68 1wk1 s GLN 82 Ca 0.48 -0.24 0.13 0.00 -1.82 0.00 0.00 55.36 53.91 1wk1 s GLN 82 Cb 0.41 -3.05 0.59 0.00 -1.09 0.00 0.00 33.01 29.86 1wk1 s GLN 82 CO 0.00 0.73 1.74 -1.00 -1.32 0.00 0.00 175.29 175.44 1wk1 h PRO 83 N 5.12 0.00 -5.62 9.60 0.13 -2.04 -3.43 132.00 135.76 1wk1 h PRO 83 Ca -0.53 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 63.99 1wk1 h PRO 83 Cb 1.21 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 1wk1 h PRO 83 CO 0.57 0.47 -0.35 0.42 -0.23 0.00 0.00 178.00 178.88 1wk1 s ILE 84 N -3.92 5.30 0.05 -3.56 1.01 -1.26 -5.09 121.20 113.74 1wk1 s ILE 84 Ca -0.02 0.50 -0.01 0.00 0.00 0.00 0.00 60.65 61.12 1wk1 s ILE 84 Cb 0.13 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1wk1 s ILE 84 CO 0.73 0.49 -0.02 0.42 0.00 0.00 0.00 174.94 176.56 1wk1 s THR 85 N -0.23 0.21 -0.30 2.92 -4.23 -1.26 -4.96 115.64 107.78 1wk1 s THR 85 Ca 0.17 -1.71 0.07 0.00 -1.18 0.00 0.00 61.69 59.04 1wk1 s THR 85 Cb -0.13 -1.42 0.18 0.00 1.34 0.00 0.00 72.50 72.47 1wk1 s THR 85 CO 0.05 -0.95 1.14 -1.22 -0.54 0.00 0.00 174.62 173.10 1wk1 n TYR 86 N 0.21 0.22 -1.55 3.99 4.01 -1.26 -4.98 117.16 117.81 1wk1 n TYR 86 Ca -0.15 -0.61 -0.64 0.00 -0.16 0.00 0.00 57.90 56.35 1wk1 n TYR 86 Cb 0.61 -0.08 -0.10 0.00 -0.31 0.00 0.00 39.34 39.45 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 -0.34 1.54 -0.57 -0.72 7.02 -1.25 -2.87 117.44 120.25 1wk1 n TRP 87 Ca 0.08 0.94 -0.21 0.00 -1.02 0.00 0.00 57.50 57.28 1wk1 n TRP 87 Cb 0.42 -2.28 0.15 0.00 -2.42 0.00 0.00 31.31 27.18 1wk1 n TRP 87 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wk1 n ALA 88 N 5.63 -1.48 -1.68 6.99 0.00 0.14 -4.56 120.51 125.56 1wk1 n ALA 88 Ca 0.40 -1.09 -0.50 0.00 0.00 0.00 0.00 53.44 52.26 1wk1 n ALA 88 Cb -0.03 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 1wk1 n ALA 88 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wk1 n ASN 89 N -1.16 3.28 0.00 0.00 2.85 -1.26 -0.25 115.26 118.72 1wk1 n ASN 89 Ca 0.05 0.95 0.00 0.00 -0.11 0.00 0.00 54.58 55.47 1wk1 n ASN 89 Cb 0.41 -1.34 0.00 0.00 1.24 0.00 0.00 39.78 40.09 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 4.49 3.00 3.76 8.20 0.00 -1.26 -4.99 105.19 118.39 1wk1 n GLY 90 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.05 2.67 0.73 1.61 0.41 0.65 -4.41 118.70 120.32 1wk1 s GLU 91 Ca 0.00 1.42 -0.12 0.00 -0.41 0.00 0.00 54.97 55.86 1wk1 s GLU 91 Cb 0.00 -1.93 0.04 0.00 -1.78 0.00 0.00 34.13 30.46 1wk1 s GLU 91 CO 0.00 -1.36 1.10 -1.25 -0.49 0.00 0.00 175.26 173.26 1wk1 s PRO 92 N -4.13 2.44 -0.04 0.39 0.04 -1.26 -4.57 135.00 127.87 1wk1 s PRO 92 Ca 0.67 1.25 -0.20 0.00 0.04 0.00 0.00 61.00 62.76 1wk1 s PRO 92 Cb -0.21 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1wk1 s PRO 92 CO 0.43 -1.51 0.59 0.45 0.04 0.00 0.00 177.00 176.99 1wk1 s SER 93 N -3.11 6.92 -0.29 6.66 0.15 -1.26 -4.96 113.70 117.81 1wk1 s SER 93 Ca 0.63 1.10 -0.02 0.00 0.70 0.00 0.00 55.95 58.36 1wk1 s SER 93 Cb -0.18 -2.36 0.13 0.00 -1.71 0.00 0.00 66.02 61.90 1wk1 s SER 93 CO 0.51 0.05 2.27 -3.20 1.20 0.00 0.00 173.24 174.07 1wk1 n ASN 94 N 3.06 6.27 -4.82 5.45 2.85 -1.26 -4.91 115.26 121.89 1wk1 n ASN 94 Ca -0.06 -2.98 -0.38 0.00 -0.11 0.00 0.00 54.58 51.05 1wk1 n ASN 94 Cb 0.51 -1.13 -0.06 0.00 1.24 0.00 0.00 39.78 40.35 1wk1 n ASN 94 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 1wk1 s ASP 95 N 0.54 6.66 0.51 1.20 1.11 -1.26 -4.98 116.67 120.44 1wk1 s ASP 95 Ca 0.35 0.78 0.30 0.00 0.18 0.00 0.00 52.55 54.16 1wk1 s ASP 95 Cb 0.25 -2.21 1.25 0.00 1.07 0.00 0.00 42.92 43.28 1wk1 s ASP 95 CO -0.05 0.28 1.95 1.55 1.18 0.00 0.00 175.17 180.08 1wk1 h PRO 96 N 5.24 0.00 0.12 8.23 0.13 -2.05 -3.15 132.00 140.52 1wk1 h PRO 96 Ca -0.50 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.45 1wk1 h PRO 96 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.35 1wk1 h PRO 96 CO 0.64 0.10 -0.83 1.79 -0.23 0.00 0.00 178.00 179.47 1wk1 h THR 97 N 0.00 1.46 -3.57 1.56 1.35 -1.98 -3.44 112.91 108.29 1wk1 h THR 97 Ca -0.00 -2.50 -0.62 0.00 -0.55 0.00 0.00 66.41 62.74 1wk1 h THR 97 Cb 0.56 3.14 -0.13 0.00 -1.73 0.00 0.00 68.15 69.99 1wk1 h THR 97 CO 0.01 0.70 0.04 -0.13 -0.25 0.00 0.00 175.52 175.89 1wk1 s ARG 98 N -2.42 3.91 0.00 4.72 0.52 -1.19 -4.15 118.95 120.35 1wk1 s ARG 98 Ca -0.15 0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.27 1wk1 s ARG 98 Cb 0.01 -3.71 0.00 0.00 0.52 0.00 0.00 34.95 31.77 1wk1 s ARG 98 CO 0.81 -0.50 0.00 1.04 0.02 0.00 0.00 175.30 176.67 1wk1 n GLN 99 N 5.71 0.53 -2.13 3.54 6.02 -1.16 -4.46 117.38 125.43 1wk1 n GLN 99 Ca -0.03 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.66 1wk1 n GLN 99 Cb 0.49 -0.90 0.01 0.00 1.02 0.00 0.00 30.24 30.86 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 -3.04 2.72 -0.00 0.00 1.01 -1.17 -0.15 120.40 119.77 1wk1 s VAL 101 Ca 0.53 -1.16 0.04 0.00 0.00 0.00 0.00 61.98 61.38 1wk1 s VAL 101 Cb -0.11 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1wk1 s VAL 101 CO 0.51 0.37 -0.12 -0.72 0.00 0.00 0.00 175.10 175.15 1wk1 s TYR 102 N -0.88 1.03 -0.51 5.22 -0.85 0.73 -3.83 117.35 118.26 1wk1 s TYR 102 Ca 0.14 -0.21 -0.28 0.00 -0.52 0.00 0.00 57.07 56.20 1wk1 s TYR 102 Cb -0.10 -0.66 -0.01 0.00 0.38 0.00 0.00 41.96 41.57 1wk1 s TYR 102 CO 0.04 -0.01 1.67 0.12 -1.52 0.00 0.00 175.55 175.85 1wk1 s PHE 103 N -0.33 1.95 -0.97 -3.49 2.19 -0.97 -2.82 117.98 113.53 1wk1 s PHE 103 Ca 0.04 0.63 -0.24 0.00 0.33 0.00 0.00 56.93 57.70 1wk1 s PHE 103 Cb -0.05 -4.21 -0.02 0.00 -1.31 0.00 0.00 43.02 37.43 1wk1 s PHE 103 CO -0.00 -2.35 1.79 0.34 1.83 0.00 0.00 175.22 176.84 1wk1 s ASP 104 N 6.13 5.58 0.27 6.13 -1.08 0.66 -3.56 116.67 130.80 1wk1 s ASP 104 Ca 0.65 -1.03 0.00 0.00 -0.52 0.00 0.00 52.55 51.65 1wk1 s ASP 104 Cb -0.15 -2.57 0.37 0.00 -1.46 0.00 0.00 42.92 39.12 1wk1 s ASP 104 CO 0.26 -2.36 1.74 1.23 0.52 0.00 0.00 175.17 176.56 1wk1 h GLY 105 N 16.21 0.69 0.92 2.66 0.00 -1.72 -3.06 103.07 118.76 1wk1 h GLY 105 Ca 0.15 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1wk1 h GLY 105 CO 1.28 0.47 0.11 3.21 0.00 0.00 0.00 176.54 181.61 1wk1 h ARG 106 N 0.58 0.52 -4.97 4.80 3.08 -1.83 -3.27 114.38 113.28 1wk1 h ARG 106 Ca 0.10 -0.11 -0.53 0.00 0.07 0.00 0.00 59.98 59.51 1wk1 h ARG 106 Cb 0.56 -0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.46 1wk1 h ARG 106 CO 0.04 0.54 1.60 0.45 -1.07 0.00 0.00 179.97 181.53 1wk1 n SER 107 N -4.67 0.37 -0.30 7.04 2.88 -1.16 -4.70 113.62 113.08 1wk1 n SER 107 Ca -0.01 0.27 0.26 0.00 -1.33 0.00 0.00 58.87 58.05 1wk1 n SER 107 Cb 0.16 -0.88 0.48 0.00 -0.75 0.00 0.00 64.21 63.23 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 6.41 -0.81 3.74 0.46 0.00 -1.26 -4.24 105.19 109.49 1wk1 n GLY 108 Ca 0.61 0.78 -0.40 0.00 0.00 0.00 0.00 46.02 47.00 1wk1 n GLY 108 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wk1 s ASP 109 N -4.66 7.52 0.10 1.61 2.15 -1.26 -4.95 116.67 117.18 1wk1 s ASP 109 Ca -0.09 1.81 0.25 0.00 0.43 0.00 0.00 52.55 54.95 1wk1 s ASP 109 Cb 0.30 -2.58 0.42 0.00 -0.30 0.00 0.00 42.92 40.77 1wk1 s ASP 109 CO 0.71 0.04 1.38 2.29 -0.17 0.00 0.00 175.17 179.42 1wk1 n LYS 110 N 2.24 0.23 0.04 4.34 2.85 -1.26 -3.64 118.16 122.96 1wk1 n LYS 110 Ca -0.00 0.07 0.12 0.00 -1.05 0.00 0.00 58.31 57.45 1wk1 n LYS 110 Cb 0.48 -1.65 0.12 0.00 -0.65 0.00 0.00 35.03 33.34 1wk1 n LYS 110 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1wk1 n SER 111 N -1.99 0.64 -0.80 -5.58 7.64 -1.26 -3.94 113.62 108.34 1wk1 n SER 111 Ca 0.04 -0.05 0.02 0.00 1.01 0.00 0.00 58.87 59.89 1wk1 n SER 111 Cb 0.42 0.41 0.20 0.00 -1.01 0.00 0.00 64.21 64.23 1wk1 n SER 111 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wk1 n LYS 112 N -1.98 1.73 0.07 1.43 5.02 -1.22 -3.91 118.16 119.30 1wk1 n LYS 112 Ca 0.03 -3.17 -0.08 0.00 -2.02 0.00 0.00 58.31 53.07 1wk1 n LYS 112 Cb 0.43 -1.70 0.03 0.00 -0.02 0.00 0.00 35.03 33.77 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 0.95 1.43 -2.47 -0.18 -1.51 -1.62 -3.36 116.25 109.49 1wk1 h VAL 113 Ca 0.09 -2.31 -0.53 0.00 -1.23 0.00 0.00 66.70 62.72 1wk1 h VAL 113 Cb 1.29 2.25 0.03 0.00 -2.13 0.00 0.00 31.29 32.72 1wk1 h VAL 113 CO 0.17 0.68 1.16 0.26 -1.23 0.00 0.00 177.57 178.61 1wk1 s TRP 114 N -3.47 1.76 -0.11 5.19 0.52 -1.14 -0.25 118.94 121.44 1wk1 s TRP 114 Ca -0.04 -0.20 -0.10 0.00 0.02 0.00 0.00 56.10 55.78 1wk1 s TRP 114 Cb 0.11 -4.19 0.03 0.00 -1.15 0.00 0.00 33.47 28.27 1wk1 s TRP 114 CO 0.83 -5.11 0.29 0.99 0.02 0.00 0.00 176.95 173.97 1wk1 s THR 115 N 3.57 -0.00 0.41 2.01 2.01 -1.13 0.28 115.64 122.80 1wk1 s THR 115 Ca 0.84 0.02 -0.11 0.00 0.31 0.00 0.00 61.69 62.75 1wk1 s THR 115 Cb -0.44 -0.42 -0.06 0.00 0.01 0.00 0.00 72.50 71.59 1wk1 s THR 115 CO 0.38 0.01 0.78 0.42 -0.69 0.00 0.00 174.62 175.52 1wk1 s THR 116 N 0.30 4.77 0.02 -0.82 -4.23 -1.26 -0.19 115.64 114.23 1wk1 s THR 116 Ca -0.01 0.66 -0.29 0.00 -1.18 0.00 0.00 61.69 60.87 1wk1 s THR 116 Cb -0.03 -3.73 0.10 0.00 1.34 0.00 0.00 72.50 70.18 1wk1 s THR 116 CO -0.01 -0.53 0.98 -0.62 -0.54 0.00 0.00 174.62 173.90 1wk1 s ASP 117 N -3.14 -0.26 0.43 3.99 2.15 0.79 -4.89 116.67 115.74 1wk1 s ASP 117 Ca 0.52 -0.12 -0.26 0.00 0.43 0.00 0.00 52.55 53.12 1wk1 s ASP 117 Cb -0.10 0.37 -0.09 0.00 -0.30 0.00 0.00 42.92 42.79 1wk1 s ASP 117 CO 0.31 -0.63 1.37 1.07 -0.17 0.00 0.00 175.17 177.13 1wk1 n THR 118 N -0.31 2.60 0.41 1.71 5.66 -1.26 -2.48 114.28 120.61 1wk1 n THR 118 Ca -0.07 -0.50 -0.05 0.00 -3.05 0.00 0.00 64.05 60.38 1wk1 n THR 118 Cb 0.61 -1.75 0.06 0.00 -1.55 0.00 0.00 70.33 67.71 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 1.80 -2.34 0.00 0.00 -1.26 -3.46 120.51 115.33 1wk1 n ALA 120 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 1wk1 n ALA 120 Cb 0.75 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.99 4.03 -0.44 0.00 2.01 -1.21 -4.71 115.64 114.34 1wk1 s THR 121 Ca 0.00 1.35 -0.28 0.00 0.31 0.00 0.00 61.69 63.08 1wk1 s THR 121 Cb 0.00 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 1wk1 s THR 121 CO 0.00 -0.03 1.76 -2.16 -0.69 0.00 0.00 174.62 173.50 1wk1 s PRO 122 N 2.63 3.11 0.07 4.92 0.04 -1.26 -4.13 135.00 140.38 1wk1 s PRO 122 Ca 0.59 1.06 -0.01 0.00 0.04 0.00 0.00 61.00 62.68 1wk1 s PRO 122 Cb -0.27 -4.24 -0.04 0.00 0.04 0.00 0.00 34.50 29.99 1wk1 s PRO 122 CO 0.23 -2.13 0.01 1.03 0.04 0.00 0.00 177.00 176.17 1wk1 s ARG 123 N 6.05 0.71 0.93 4.56 0.52 -1.19 -4.64 118.95 125.90 1wk1 s ARG 123 Ca 0.72 -1.26 -0.12 0.00 -0.52 0.00 0.00 55.73 54.55 1wk1 s ARG 123 Cb -0.18 0.23 0.15 0.00 0.52 0.00 0.00 34.95 35.67 1wk1 s ARG 123 CO 0.29 -0.16 1.09 -1.25 0.02 0.00 0.00 175.30 175.29 1wk1 s PRO 124 N -3.95 0.96 0.28 3.54 0.04 -1.25 -0.90 135.00 133.71 1wk1 s PRO 124 Ca 0.11 0.71 -0.01 0.00 0.04 0.00 0.00 61.00 61.85 1wk1 s PRO 124 Cb 0.08 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.84 1wk1 s PRO 124 CO -0.07 -2.42 0.38 1.97 0.04 0.00 0.00 177.00 176.90 1wk1 n PHE 125 N -3.99 -1.23 -3.68 0.56 -1.74 -1.26 0.25 117.46 106.37 1wk1 n PHE 125 Ca 0.06 -1.86 -0.19 0.00 -0.56 0.00 0.00 57.45 54.91 1wk1 n PHE 125 Cb 0.56 0.43 -0.17 0.00 1.52 0.00 0.00 39.48 41.82 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 -2.74 -0.14 0.05 1.97 1.01 -1.26 -2.77 121.20 117.33 1wk1 s ILE 126 Ca 0.23 0.38 -0.17 0.00 0.00 0.00 0.00 60.65 61.10 1wk1 s ILE 126 Cb -0.01 -0.18 -0.06 0.00 0.01 0.00 0.00 42.46 42.22 1wk1 s ILE 126 CO 0.16 0.16 0.50 0.00 0.00 0.00 0.00 174.94 175.76 1wk1 s GLN 128 N -1.21 0.71 0.53 0.00 0.74 0.20 -1.14 119.66 119.50 1wk1 s GLN 128 Ca 0.28 -0.01 -0.06 0.00 0.05 0.00 0.00 55.36 55.61 1wk1 s GLN 128 Cb -0.18 -0.87 -0.03 0.00 1.10 0.00 0.00 33.01 33.04 1wk1 s GLN 128 CO 0.17 -0.17 0.85 -1.59 -0.55 0.00 0.00 175.29 174.00 1wk1 s LYS 129 N 1.33 3.39 -0.09 1.67 -2.85 -1.26 -1.74 119.74 120.20 1wk1 s LYS 129 Ca -0.05 0.24 -0.22 0.00 -1.00 0.00 0.00 55.97 54.94 1wk1 s LYS 129 Cb -0.13 -2.30 -0.29 0.00 -2.06 0.00 0.00 37.83 33.05 1wk1 s LYS 129 CO -0.02 -0.39 0.75 1.25 0.10 0.00 0.00 175.35 177.03 1wk1 h HIS 130 N 0.03 0.39 -1.99 1.78 -0.00 -1.98 -3.49 115.15 109.89 1wk1 h HIS 130 Ca -0.46 -0.28 0.19 0.00 -0.00 0.00 0.00 60.37 59.82 1wk1 h HIS 130 Cb 1.22 -0.02 -0.14 0.00 -0.00 0.00 0.00 27.41 28.47 1wk1 h HIS 130 CO 0.57 1.33 0.61 0.50 -0.00 0.00 0.00 177.93 180.94 1wk1 s ARG 131 N -2.40 0.73 -0.01 5.26 3.52 -1.26 -5.13 118.95 119.66 1wk1 s ARG 131 Ca -0.17 -0.33 -0.35 0.00 -0.13 0.00 0.00 55.73 54.75 1wk1 s ARG 131 Cb 0.01 0.29 -0.13 0.00 -1.56 0.00 0.00 34.95 33.57 1wk1 s ARG 131 CO 0.77 -0.32 1.73 0.98 -0.81 0.00 0.00 175.30 177.65 1wk1 n TYR 132 N -0.30 2.23 -3.67 5.12 9.36 -1.26 -4.95 117.16 123.69 1wk1 n TYR 132 Ca -0.06 0.18 -0.10 0.00 3.32 0.00 0.00 57.90 61.24 1wk1 n TYR 132 Cb 0.61 -2.58 -0.04 0.00 -0.63 0.00 0.00 39.34 36.69 1wk1 n TYR 132 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1wk1 s ASP 133 N 2.72 -0.24 -0.59 2.98 2.15 -1.26 -5.09 116.67 117.35 1wk1 s ASP 133 Ca 0.88 -0.38 -0.36 0.00 0.43 0.00 0.00 52.55 53.12 1wk1 s ASP 133 Cb -0.74 0.51 -0.18 0.00 -0.30 0.00 0.00 42.92 42.21 1wk1 s ASP 133 CO 0.48 -0.92 2.08 -1.54 -0.17 0.00 0.00 175.17 175.11 1wk1 n SER 134 N -0.27 0.55 -4.60 -0.34 3.41 -1.26 -4.85 113.62 106.27 1wk1 n SER 134 Ca -0.14 0.48 -0.29 0.00 -0.26 0.00 0.00 58.87 58.66 1wk1 n SER 134 Cb 0.63 -0.82 0.20 0.00 -0.26 0.00 0.00 64.21 63.97 1wk1 n SER 134 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wk1 s ASP 135 N 6.23 2.04 0.43 4.04 1.11 -1.26 -5.06 116.67 124.20 1wk1 s ASP 135 Ca 1.13 1.55 0.07 0.00 0.18 0.00 0.00 52.55 55.47 1wk1 s ASP 135 Cb -1.29 -2.23 -0.05 0.00 1.07 0.00 0.00 42.92 40.42 1wk1 s ASP 135 CO 0.55 -3.55 0.16 -2.28 1.18 0.00 0.00 175.17 171.24 1wk1 s HIS 136 N -2.68 2.45 -0.19 4.23 2.46 -1.26 -5.08 115.29 115.23 1wk1 s HIS 136 Ca 0.67 -0.65 -0.29 0.00 0.47 0.00 0.00 55.06 55.25 1wk1 s HIS 136 Cb -0.22 -1.91 -0.03 0.00 -0.13 0.00 0.00 32.58 30.29 1wk1 s HIS 136 CO 0.61 0.17 1.57 0.21 -2.47 0.00 0.00 174.74 174.83 1wk1 s LYS 137 N -3.91 3.92 0.83 2.88 2.20 -1.26 -4.83 119.74 119.57 1wk1 s LYS 137 Ca 0.37 1.74 -0.11 0.00 -0.36 0.00 0.00 55.97 57.61 1wk1 s LYS 137 Cb 0.04 -3.99 0.09 0.00 -1.51 0.00 0.00 37.83 32.46 1wk1 s LYS 137 CO 0.20 -1.14 1.09 -1.25 -0.36 0.00 0.00 175.35 173.89 1wk1 s PRO 138 N 4.41 1.79 -0.18 4.03 0.04 -1.26 -5.02 135.00 138.81 1wk1 s PRO 138 Ca 0.69 1.01 -0.10 0.00 0.04 0.00 0.00 61.00 62.64 1wk1 s PRO 138 Cb -0.26 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 1wk1 s PRO 138 CO 0.27 -1.93 -0.25 -1.71 0.04 0.00 0.00 177.00 173.43 1wk1 n ASN 139 N -3.69 1.42 -4.80 6.66 2.85 -1.26 -4.98 115.26 111.46 1wk1 n ASN 139 Ca 0.08 0.24 -0.36 0.00 -0.11 0.00 0.00 54.58 54.43 1wk1 n ASN 139 Cb 0.54 -0.58 -0.07 0.00 1.24 0.00 0.00 39.78 40.91 1wk1 n ASN 139 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1wk1 s THR 140 N -2.40 5.45 -0.09 -0.44 2.01 -1.26 -5.09 115.64 113.81 1wk1 s THR 140 Ca -0.26 0.22 -0.03 0.00 0.31 0.00 0.00 61.69 61.92 1wk1 s THR 140 Cb 0.09 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1wk1 s THR 140 CO 0.33 0.52 0.06 -0.63 -0.69 0.00 0.00 174.62 174.21 1wk1 s ILE 141 N -0.27 4.77 0.08 1.82 -1.09 -1.26 -4.22 121.20 121.03 1wk1 s ILE 141 Ca 0.12 -0.12 -0.26 0.00 -2.23 0.00 0.00 60.65 58.16 1wk1 s ILE 141 Cb -0.12 -3.06 0.07 0.00 -1.58 0.00 0.00 42.46 37.78 1wk1 s ILE 141 CO 0.01 0.57 0.63 -0.83 -1.23 0.00 0.00 174.94 174.09 1wk1 s GLY 142 N -1.05 -0.60 -0.14 6.18 0.00 -1.26 -5.08 107.32 105.36 1wk1 s GLY 142 Ca 0.15 0.80 -0.11 0.00 0.00 0.00 0.00 44.72 45.56 1wk1 s GLY 142 CO 0.05 0.46 0.07 -0.55 0.00 0.00 0.00 173.10 173.12 1wk1 h ASP 143 N 2.37 0.00 -6.24 1.64 3.32 -1.99 -3.46 116.42 112.07 1wk1 h ASP 143 Ca -0.31 -0.22 -0.46 0.00 0.02 0.00 0.00 57.03 56.06 1wk1 h ASP 143 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1wk1 h ASP 143 CO 0.38 0.84 -0.76 0.00 -1.72 0.00 0.00 179.24 177.98 1wk1 n ALA 144 N -3.21 -1.40 -2.29 3.45 0.00 -1.26 -4.89 120.51 110.90 1wk1 n ALA 144 Ca -0.10 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 1wk1 n ALA 144 Cb 0.29 -4.17 -0.03 0.00 0.00 0.00 0.00 19.45 15.54 1wk1 n ALA 144 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wk1 s SER 145 N -3.48 6.91 0.00 0.00 1.04 -1.26 -4.95 113.70 111.96 1wk1 s SER 145 Ca 0.56 2.03 0.00 0.00 0.48 0.00 0.00 55.95 59.02 1wk1 s SER 145 Cb -0.28 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.28 1wk1 s SER 145 CO 0.82 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.98 1wk1 n GLY 146 N 3.55 2.82 3.64 7.32 0.00 -1.26 -5.12 105.19 116.13 1wk1 n GLY 146 Ca 0.12 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.45 3.89 -0.28 1.61 0.04 -1.26 -4.97 135.00 133.58 1wk1 s PRO 147 Ca 0.00 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 62.70 1wk1 s PRO 147 Cb 0.00 -4.01 0.13 0.00 0.04 0.00 0.00 34.50 30.66 1wk1 s PRO 147 CO 0.00 -1.18 0.60 0.45 0.04 0.00 0.00 177.00 176.90 1wk1 s SER 148 N 3.93 -1.00 -0.09 6.66 0.15 -1.26 -5.15 113.70 116.94 1wk1 s SER 148 Ca 0.70 1.34 -0.04 0.00 0.70 0.00 0.00 55.95 58.66 1wk1 s SER 148 Cb -0.26 2.10 0.05 0.00 -1.71 0.00 0.00 66.02 66.19 1wk1 s SER 148 CO 0.28 -0.23 0.21 -0.94 1.20 0.00 0.00 173.24 173.76 1wk1 s SER 149 N 2.84 -0.07 0.00 5.45 1.04 -1.26 -5.28 113.70 116.42 1wk1 s SER 149 Ca -0.01 0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.86 1wk1 s SER 149 Cb -0.13 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1wk1 s SER 149 CO -0.18 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.47