#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 -0.33 -0.58 1.61 0.15 -1.26 -4.89 113.70 108.40 1wk1 s SER 2 Ca 0.00 -0.48 -0.02 0.00 0.70 0.00 0.00 55.95 56.15 1wk1 s SER 2 Cb 0.00 0.70 0.33 0.00 -1.71 0.00 0.00 66.02 65.34 1wk1 s SER 2 CO 0.00 -1.26 2.11 -0.24 1.20 0.00 0.00 173.24 175.05 1wk1 n SER 3 N -0.44 7.22 0.00 5.45 2.88 -1.26 -4.98 113.62 122.48 1wk1 n SER 3 Ca -0.07 -3.54 0.00 0.00 -1.33 0.00 0.00 58.87 53.93 1wk1 n SER 3 Cb 0.60 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 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 -0.32 1.59 3.77 0.46 0.00 -1.26 -4.99 105.19 104.44 1wk1 n GLY 4 Ca 0.51 -1.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.40 6.73 -0.29 1.61 0.15 -1.26 -5.03 113.70 115.22 1wk1 s SER 5 Ca 0.00 2.31 -0.18 0.00 0.70 0.00 0.00 55.95 58.78 1wk1 s SER 5 Cb 0.00 -2.61 0.17 0.00 -1.71 0.00 0.00 66.02 61.87 1wk1 s SER 5 CO 0.00 -0.52 1.14 -0.55 1.20 0.00 0.00 173.24 174.51 1wk1 s SER 6 N -1.10 -0.28 0.00 5.45 0.15 -1.26 -5.15 113.70 111.51 1wk1 s SER 6 Ca 0.54 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.66 1wk1 s SER 6 Cb -0.30 0.98 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 1wk1 s SER 6 CO 0.38 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.36 1wk1 n GLY 7 N 3.08 0.99 3.76 9.45 0.00 -1.26 -4.71 105.19 116.50 1wk1 n GLY 7 Ca -0.17 0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1wk1 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wk1 s VAL 8 N 1.50 3.75 0.52 1.61 0.11 -1.26 -4.85 120.40 121.79 1wk1 s VAL 8 Ca 0.00 1.72 -0.01 0.00 -2.93 0.00 0.00 61.98 60.75 1wk1 s VAL 8 Cb 0.00 -4.07 0.01 0.00 -1.53 0.00 0.00 36.38 30.79 1wk1 s VAL 8 CO 0.00 0.37 0.77 -0.54 -3.33 0.00 0.00 175.10 172.37 1wk1 s LYS 9 N -1.46 2.86 0.23 1.54 1.02 -1.26 -5.07 119.74 117.60 1wk1 s LYS 9 Ca 0.44 -0.43 0.08 0.00 0.02 0.00 0.00 55.97 56.09 1wk1 s LYS 9 Cb -0.28 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 1wk1 s LYS 9 CO 0.36 -0.53 0.06 -0.06 -0.92 0.00 0.00 175.35 174.26 1wk1 s PHE 10 N -2.75 2.88 -1.72 3.18 0.08 -1.26 -4.57 117.98 113.82 1wk1 s PHE 10 Ca 0.52 -0.16 -0.17 0.00 0.12 0.00 0.00 56.93 57.25 1wk1 s PHE 10 Cb -0.10 -1.32 0.15 0.00 -0.57 0.00 0.00 43.02 41.18 1wk1 s PHE 10 CO 0.40 0.56 0.61 1.28 -0.10 0.00 0.00 175.22 177.97 1wk1 n LEU 11 N -0.75 -1.40 -3.84 -0.37 4.77 0.01 -4.93 117.00 110.50 1wk1 n LEU 11 Ca -0.08 -1.12 -0.14 0.00 -0.03 0.00 0.00 56.01 54.64 1wk1 n LEU 11 Cb 0.57 -1.89 -0.15 0.00 -2.33 0.00 0.00 43.42 39.62 1wk1 n LEU 11 CO 0.41 0.26 -0.36 0.42 -1.33 0.00 0.00 177.39 176.79 1wk1 s THR 12 N -3.46 0.07 -0.32 -5.08 -4.23 -1.26 -5.04 115.64 96.32 1wk1 s THR 12 Ca 0.62 0.06 -0.29 0.00 -1.18 0.00 0.00 61.69 60.90 1wk1 s THR 12 Cb -0.35 -0.12 -0.01 0.00 1.34 0.00 0.00 72.50 73.36 1wk1 s THR 12 CO 0.96 0.07 1.48 -0.69 -0.54 0.00 0.00 174.62 175.91 1wk1 s VAL 13 N 0.52 3.86 -0.31 2.29 1.01 -1.26 -4.38 120.40 122.14 1wk1 s VAL 13 Ca -0.05 0.93 -0.24 0.00 0.00 0.00 0.00 61.98 62.62 1wk1 s VAL 13 Cb -0.07 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1wk1 s VAL 13 CO -0.01 -0.51 0.82 0.20 0.00 0.00 0.00 175.10 175.60 1wk1 s ASN 14 N 3.96 6.69 0.20 3.32 0.01 -0.80 -4.95 114.94 123.38 1wk1 s ASN 14 Ca 0.65 0.71 -0.18 0.00 -0.71 0.00 0.00 52.86 53.32 1wk1 s ASN 14 Cb -0.19 -2.42 0.18 0.00 0.41 0.00 0.00 41.25 39.23 1wk1 s ASN 14 CO 0.29 -0.65 1.59 0.44 -1.51 0.00 0.00 177.10 177.26 1wk1 h ASP 15 N 8.11 -1.05 0.00 -1.22 3.32 -1.93 -3.34 116.42 120.30 1wk1 h ASP 15 Ca -0.24 0.23 -0.48 0.00 0.02 0.00 0.00 57.03 56.56 1wk1 h ASP 15 Cb 1.09 0.56 -0.07 0.00 0.22 0.00 0.00 39.33 41.13 1wk1 h ASP 15 CO 0.90 -0.29 1.41 0.47 -1.72 0.00 0.00 179.24 180.02 1wk1 n ASP 16 N -5.45 0.34 -4.72 6.45 9.92 -1.26 -4.51 116.55 117.32 1wk1 n ASP 16 Ca 0.06 0.25 -0.42 0.00 -0.53 0.00 0.00 54.79 54.16 1wk1 n ASP 16 Cb 0.36 -0.78 -0.03 0.00 -0.64 0.00 0.00 41.12 40.03 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 7.07 4.16 -0.13 0.53 -4.36 -1.26 -4.50 121.20 122.71 1wk1 s ILE 17 Ca 1.13 1.68 -0.15 0.00 -0.26 0.00 0.00 60.65 63.04 1wk1 s ILE 17 Cb -1.12 -4.07 0.04 0.00 1.25 0.00 0.00 42.46 38.56 1wk1 s ILE 17 CO 0.45 0.20 0.41 -0.76 0.24 0.00 0.00 174.94 175.48 1wk1 s LEU 18 N 0.43 0.45 0.98 0.37 1.43 0.13 -4.61 118.68 117.86 1wk1 s LEU 18 Ca 0.53 0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 54.21 1wk1 s LEU 18 Cb -0.27 1.44 0.11 0.00 0.03 0.00 0.00 46.19 47.50 1wk1 s LEU 18 CO 0.31 -0.21 0.72 -1.54 0.23 0.00 0.00 176.35 175.86 1wk1 n SER 19 N 2.51 -1.13 -0.10 2.29 3.41 -1.26 -3.01 113.62 116.34 1wk1 n SER 19 Ca -0.15 0.28 -0.06 0.00 -0.26 0.00 0.00 58.87 58.68 1wk1 n SER 19 Cb 0.57 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 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 -1.86 -0.11 0.00 4.33 4.05 -1.78 0.45 114.93 120.02 1wk1 h MET 20 Ca -0.46 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1wk1 h MET 20 Cb 1.29 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.11 1wk1 h MET 20 CO 0.39 -0.07 0.00 -0.35 0.23 0.00 0.00 176.91 177.11 1wk1 n PRO 21 N -5.35 0.11 -0.11 0.39 -0.04 -1.26 -2.63 135.00 126.12 1wk1 n PRO 21 Ca 0.01 0.20 -0.13 0.00 -0.04 0.00 0.00 63.50 63.54 1wk1 n PRO 21 Cb 0.26 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.08 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 -1.38 0.73 0.04 0.54 6.02 0.71 -4.29 117.38 119.74 1wk1 n GLN 22 Ca 0.05 0.05 -0.02 0.00 -0.01 0.00 0.00 57.00 57.07 1wk1 n GLN 22 Cb 0.14 -1.51 -0.01 0.00 1.02 0.00 0.00 30.24 29.89 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 0.61 -0.40 -0.95 -1.58 0.00 -0.04 -2.81 119.26 114.09 1wk1 h ALA 23 Ca -0.55 -0.03 0.37 0.00 0.00 0.00 0.00 54.91 54.71 1wk1 h ALA 23 Cb 2.09 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 19.75 1wk1 h ALA 23 CO -0.01 -0.40 0.42 2.89 0.00 0.00 0.00 179.25 182.15 1wk1 n ARG 24 N -2.73 -0.06 -0.22 0.00 1.85 -1.08 0.20 116.66 114.62 1wk1 n ARG 24 Ca -0.01 1.33 -0.08 0.00 -1.00 0.00 0.00 57.85 58.09 1wk1 n ARG 24 Cb 0.05 -2.34 0.03 0.00 -1.05 0.00 0.00 32.46 29.15 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 0.96 0.52 2.89 -1.24 -1.75 -2.70 115.58 114.26 1wk1 h ASN 25 Ca 0.77 -0.24 -0.03 0.00 0.71 0.00 0.00 56.30 57.51 1wk1 h ASN 25 Cb 1.97 -0.25 0.01 0.00 0.73 0.00 0.00 38.32 40.77 1wk1 h ASN 25 CO -0.76 0.95 -0.25 0.15 -1.29 0.00 0.00 177.43 176.23 1wk1 h PHE 26 N 0.92 -0.65 -0.98 0.67 3.04 0.25 -2.50 116.94 117.70 1wk1 h PHE 26 Ca 0.19 -0.02 0.28 0.00 3.98 0.00 0.00 57.97 62.41 1wk1 h PHE 26 Cb 0.37 0.22 -0.14 0.00 2.56 0.00 0.00 35.95 38.96 1wk1 h PHE 26 CO 0.03 -0.33 0.52 0.00 -2.02 0.00 0.00 178.31 176.51 1wk1 h ALA 28 N 1.79 -0.39 -0.93 0.00 0.00 -0.80 0.67 119.26 119.60 1wk1 h ALA 28 Ca 0.67 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.48 1wk1 h ALA 28 Cb 1.41 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 1wk1 h ALA 28 CO -0.57 -0.65 0.61 1.03 0.00 0.00 0.00 179.25 179.68 1wk1 h SER 29 N -0.54 1.00 -0.49 0.00 0.87 -0.57 -2.25 113.55 111.58 1wk1 h SER 29 Ca -0.04 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.42 1wk1 h SER 29 Cb 0.40 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1wk1 h SER 29 CO 0.07 0.68 -0.04 0.00 -0.53 0.00 0.00 176.83 177.01 1wk1 h ALA 30 N 1.46 0.66 0.00 6.23 0.00 -0.67 -3.47 119.26 123.47 1wk1 h ALA 30 Ca 0.37 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wk1 h ALA 30 Cb 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1wk1 h ALA 30 CO -0.12 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1wk1 n GLY 31 N -0.32 0.39 0.71 0.00 0.00 -0.05 -4.91 105.19 101.01 1wk1 n GLY 31 Ca 0.01 0.00 0.01 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 0.54 3.15 -0.02 0.00 0.22 -4.60 105.19 104.48 1wk1 n GLY 32 Ca 0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.82 0.22 0.26 1.61 -0.85 -0.29 -1.18 117.35 114.30 1wk1 s TYR 33 Ca 0.05 -0.60 -0.27 0.00 -0.52 0.00 0.00 57.07 55.73 1wk1 s TYR 33 Cb -0.00 -0.14 -0.16 0.00 0.38 0.00 0.00 41.96 42.04 1wk1 s TYR 33 CO -0.00 -0.44 0.67 1.28 -1.52 0.00 0.00 175.55 175.54 1wk1 n LEU 34 N 0.35 -0.18 -4.62 -3.49 4.77 -1.26 0.85 117.00 113.42 1wk1 n LEU 34 Ca -0.17 1.12 -0.42 0.00 -0.03 0.00 0.00 56.01 56.51 1wk1 n LEU 34 Cb 0.60 -1.08 -0.04 0.00 -2.33 0.00 0.00 43.42 40.58 1wk1 n LEU 34 CO 0.24 -2.48 0.75 0.00 -1.33 0.00 0.00 177.39 174.56 1wk1 s ALA 35 N -1.08 3.51 1.04 -1.18 0.00 -0.27 -4.59 121.76 119.18 1wk1 s ALA 35 Ca 0.62 -0.28 -0.13 0.00 0.00 0.00 0.00 51.96 52.17 1wk1 s ALA 35 Cb -0.82 -3.47 0.21 0.00 0.00 0.00 0.00 23.12 19.05 1wk1 s ALA 35 CO 0.58 -1.35 1.08 -0.51 0.00 0.00 0.00 175.76 175.56 1wk1 s ASP 36 N 1.65 2.20 -0.27 0.00 1.01 -1.26 -3.27 116.67 116.74 1wk1 s ASP 36 Ca 0.38 1.21 0.09 0.00 0.71 0.00 0.00 52.55 54.94 1wk1 s ASP 36 Cb -0.13 -1.90 0.45 0.00 1.01 0.00 0.00 42.92 42.34 1wk1 s ASP 36 CO 0.14 -3.40 1.25 0.47 0.21 0.00 0.00 175.17 173.84 1wk1 n ASP 37 N -4.35 3.38 -4.42 0.27 9.92 -1.26 -4.86 116.55 115.23 1wk1 n ASP 37 Ca 0.05 -3.83 -0.44 0.00 -0.53 0.00 0.00 54.79 50.04 1wk1 n ASP 37 Cb 0.57 -0.47 -0.04 0.00 -0.64 0.00 0.00 41.12 40.54 1wk1 n ASP 37 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wk1 s LEU 38 N -3.42 4.91 0.00 0.64 1.43 -1.26 -4.49 118.68 116.49 1wk1 s LEU 38 Ca 0.45 -1.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1wk1 s LEU 38 Cb 0.40 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1wk1 s LEU 38 CO -0.01 -1.25 0.00 0.61 0.23 0.00 0.00 176.35 175.92 1wk1 n GLY 39 N 5.30 3.36 0.30 -3.19 0.00 -1.26 -4.79 105.19 104.92 1wk1 n GLY 39 Ca -0.03 -0.32 0.07 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.48 0.59 1.61 3.32 -2.00 0.70 116.42 120.16 1wk1 h ASP 40 Ca 0.00 0.23 -0.13 0.00 0.02 0.00 0.00 57.03 57.14 1wk1 h ASP 40 Cb 0.00 0.42 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1wk1 h ASP 40 CO 0.00 -0.24 -0.62 0.44 -1.72 0.00 0.00 179.24 177.10 1wk1 h ASP 41 N 0.06 0.03 0.74 6.45 5.19 -1.98 -2.72 116.42 124.18 1wk1 h ASP 41 Ca 0.45 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.81 1wk1 h ASP 41 Cb 0.81 -0.01 0.01 0.00 0.18 0.00 0.00 39.33 40.32 1wk1 h ASP 41 CO -0.77 0.64 -0.36 0.50 -3.12 0.00 0.00 179.24 176.14 1wk1 h LYS 42 N 0.02 -0.96 0.42 3.56 1.63 -0.01 -1.01 116.57 120.22 1wk1 h LYS 42 Ca -0.01 0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1wk1 h LYS 42 Cb 1.10 0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.93 1wk1 h LYS 42 CO 0.08 -0.62 -0.33 -0.97 -3.45 0.00 0.00 179.45 174.16 1wk1 h ASN 43 N -1.15 -0.87 -0.63 4.20 -1.24 -1.05 -2.67 115.58 112.17 1wk1 h ASN 43 Ca -0.10 0.07 0.13 0.00 0.71 0.00 0.00 56.30 57.10 1wk1 h ASN 43 Cb 0.78 0.28 -0.11 0.00 0.73 0.00 0.00 38.32 40.00 1wk1 h ASN 43 CO 0.17 -0.49 -0.08 0.78 -1.29 0.00 0.00 177.43 176.52 1wk1 h ASN 44 N -0.75 -0.44 -0.91 1.15 4.21 -1.55 0.33 115.58 117.62 1wk1 h ASN 44 Ca -0.04 0.17 0.20 0.00 1.21 0.00 0.00 56.30 57.84 1wk1 h ASN 44 Cb 0.65 0.34 -0.07 0.00 -1.12 0.00 0.00 38.32 38.11 1wk1 h ASN 44 CO -0.01 -0.17 0.60 0.15 -1.29 0.00 0.00 177.43 176.71 1wk1 h PHE 45 N 0.05 0.61 0.00 1.19 3.57 -0.89 -1.69 116.94 119.78 1wk1 h PHE 45 Ca 0.32 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.84 1wk1 h PHE 45 Cb 0.51 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.06 1wk1 h PHE 45 CO -0.44 0.16 -0.00 1.88 -2.23 0.00 0.00 178.31 177.68 1wk1 h TYR 46 N 0.46 -0.00 -1.51 0.41 0.05 -0.08 -3.20 116.97 113.10 1wk1 h TYR 46 Ca 0.48 -0.00 0.45 0.00 0.05 0.00 0.00 58.73 59.71 1wk1 h TYR 46 Cb 1.12 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.78 1wk1 h TYR 46 CO -0.00 0.68 1.06 1.03 -1.05 0.00 0.00 178.16 179.88 1wk1 h SER 47 N -0.68 0.08 0.27 3.88 0.87 -0.25 0.77 113.55 118.48 1wk1 h SER 47 Ca -0.00 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1wk1 h SER 47 Cb 0.68 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1wk1 h SER 47 CO 0.00 -0.03 -0.13 0.28 -0.53 0.00 0.00 176.83 176.42 1wk1 h SER 48 N 0.04 -0.30 1.28 6.23 0.02 -1.49 -3.09 113.55 116.24 1wk1 h SER 48 Ca 0.76 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.51 1wk1 h SER 48 Cb 2.86 0.08 0.00 0.00 0.14 0.00 0.00 62.40 65.48 1wk1 h SER 48 CO -0.11 0.06 0.00 0.16 -1.14 0.00 0.00 176.83 175.80 1wk1 h ILE 49 N -0.71 0.00 -0.15 3.27 3.07 -0.63 -3.13 117.51 119.24 1wk1 h ILE 49 Ca -0.04 -0.44 -0.03 0.00 1.55 0.00 0.00 64.86 65.90 1wk1 h ILE 49 Cb 0.48 1.37 -0.02 0.00 -0.27 0.00 0.00 36.82 38.38 1wk1 h ILE 49 CO 0.06 0.00 0.04 0.00 -1.05 0.00 0.00 178.15 177.20 1wk1 n ALA 50 N -1.81 2.90 -1.53 0.16 0.00 0.24 -4.83 120.51 115.63 1wk1 n ALA 50 Ca 0.04 -0.46 -0.23 0.00 0.00 0.00 0.00 53.44 52.80 1wk1 n ALA 50 Cb 0.38 -1.05 -0.13 0.00 0.00 0.00 0.00 19.45 18.64 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 0.14 0.68 -3.27 0.00 0.00 -1.19 -0.63 120.51 116.24 1wk1 n ALA 51 Ca 0.08 -0.99 -0.21 0.00 0.00 0.00 0.00 53.44 52.32 1wk1 n ALA 51 Cb 0.54 -2.82 0.06 0.00 0.00 0.00 0.00 19.45 17.22 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 12.46 -5.88 -3.95 0.00 3.02 -1.25 -4.95 115.26 114.71 1wk1 n ASN 52 Ca 0.56 -0.40 -0.24 0.00 -0.03 0.00 0.00 54.58 54.47 1wk1 n ASN 52 Cb 0.29 -4.59 -0.17 0.00 -0.61 0.00 0.00 39.78 34.70 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 -3.22 0.95 -0.37 3.41 2.01 0.20 -4.71 115.64 113.91 1wk1 s THR 53 Ca 0.43 -0.32 -0.08 0.00 0.31 0.00 0.00 61.69 62.03 1wk1 s THR 53 Cb -0.19 -0.93 0.05 0.00 0.01 0.00 0.00 72.50 71.45 1wk1 s THR 53 CO 0.53 0.33 0.16 -1.10 -0.69 0.00 0.00 174.62 173.85 1wk1 s GLN 54 N 1.11 2.61 0.34 4.92 -0.21 -1.26 -1.75 119.66 125.42 1wk1 s GLN 54 Ca -0.07 -1.27 0.07 0.00 0.02 0.00 0.00 55.36 54.11 1wk1 s GLN 54 Cb -0.14 -3.58 -0.07 0.00 1.00 0.00 0.00 33.01 30.22 1wk1 s GLN 54 CO -0.01 -0.77 -0.03 -0.59 -2.12 0.00 0.00 175.29 171.77 1wk1 s PHE 55 N 1.41 2.22 0.72 0.91 -0.71 -1.14 -4.30 117.98 117.09 1wk1 s PHE 55 Ca 0.00 -0.68 -0.11 0.00 -1.04 0.00 0.00 56.93 55.10 1wk1 s PHE 55 Cb -0.21 -1.38 0.02 0.00 -1.21 0.00 0.00 43.02 40.24 1wk1 s PHE 55 CO 0.03 0.36 1.09 -1.58 -1.34 0.00 0.00 175.22 173.77 1wk1 s TRP 56 N -2.88 3.20 0.25 3.49 0.52 0.46 -0.53 118.94 123.45 1wk1 s TRP 56 Ca 0.33 1.14 0.04 0.00 0.02 0.00 0.00 56.10 57.63 1wk1 s TRP 56 Cb 0.06 -3.03 -0.02 0.00 -1.15 0.00 0.00 33.47 29.33 1wk1 s TRP 56 CO 0.15 -1.30 0.16 0.44 0.02 0.00 0.00 176.95 176.42 1wk1 n ILE 57 N -3.11 0.00 0.54 2.03 -5.35 -1.22 -4.25 119.36 108.00 1wk1 n ILE 57 Ca 0.07 -1.68 0.11 0.00 -0.27 0.00 0.00 62.75 60.98 1wk1 n ILE 57 Cb 0.56 0.74 0.45 0.00 -1.74 0.00 0.00 39.64 39.65 1wk1 n ILE 57 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wk1 n GLY 58 N -0.21 -1.33 3.71 3.28 0.00 -1.20 -4.74 105.19 104.70 1wk1 n GLY 58 Ca 0.02 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1wk1 n GLY 58 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wk1 s LEU 59 N -3.98 4.39 -0.18 0.99 2.96 -1.26 0.43 118.68 122.03 1wk1 s LEU 59 Ca 0.07 1.75 -0.27 0.00 -0.22 0.00 0.00 54.13 55.47 1wk1 s LEU 59 Cb 0.11 -3.58 0.07 0.00 0.50 0.00 0.00 46.19 43.29 1wk1 s LEU 59 CO 0.42 -0.27 0.69 0.72 -1.32 0.00 0.00 176.35 176.59 1wk1 s PHE 60 N 0.85 -0.72 0.32 5.38 -0.12 -0.68 -3.13 117.98 119.87 1wk1 s PHE 60 Ca 0.52 1.59 -0.21 0.00 -0.05 0.00 0.00 56.93 58.78 1wk1 s PHE 60 Cb -0.23 0.31 -0.10 0.00 -0.63 0.00 0.00 43.02 42.38 1wk1 s PHE 60 CO 0.29 -0.46 0.85 0.21 -0.05 0.00 0.00 175.22 176.06 1wk1 s LYS 61 N -0.22 4.31 0.47 1.99 2.20 -0.28 0.11 119.74 128.32 1wk1 s LYS 61 Ca -0.04 1.04 0.08 0.00 -0.36 0.00 0.00 55.97 56.68 1wk1 s LYS 61 Cb -0.03 -2.62 0.02 0.00 -1.51 0.00 0.00 37.83 33.69 1wk1 s LYS 61 CO 0.04 0.22 0.53 1.21 -0.36 0.00 0.00 175.35 176.99 1wk1 s ASN 62 N -1.87 5.18 0.13 1.43 3.84 0.13 -4.79 114.94 118.99 1wk1 s ASN 62 Ca 0.52 -0.74 -0.28 0.00 0.21 0.00 0.00 52.86 52.57 1wk1 s ASN 62 Cb -0.14 -0.28 -0.04 0.00 -0.55 0.00 0.00 41.25 40.24 1wk1 s ASN 62 CO 0.19 -0.89 1.59 0.28 -2.79 0.00 0.00 177.10 175.48 1wk1 h SER 63 N 0.70 -1.23 -1.04 -4.21 0.02 -1.98 -0.24 113.55 105.57 1wk1 h SER 63 Ca -0.38 0.17 0.33 0.00 -0.84 0.00 0.00 61.79 61.07 1wk1 h SER 63 Cb 1.28 0.51 -0.14 0.00 0.14 0.00 0.00 62.40 64.19 1wk1 h SER 63 CO 0.50 -0.40 0.61 0.44 -1.14 0.00 0.00 176.83 176.84 1wk1 h ASP 64 N -0.45 0.49 0.00 3.07 3.32 -2.04 -3.44 116.42 117.36 1wk1 h ASP 64 Ca 0.09 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1wk1 h ASP 64 Cb 0.60 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1wk1 h ASP 64 CO -0.40 -0.12 0.00 0.61 -1.72 0.00 0.00 179.24 177.61 1wk1 n GLY 65 N -1.33 1.39 3.86 2.75 0.00 -0.10 -5.13 105.19 106.64 1wk1 n GLY 65 Ca 0.32 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 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 3.18 0.32 1.61 -0.21 -1.26 -4.78 119.66 118.53 1wk1 s GLN 66 Ca 0.00 -0.63 -0.17 0.00 0.02 0.00 0.00 55.36 54.58 1wk1 s GLN 66 Cb 0.00 -2.86 -0.09 0.00 1.00 0.00 0.00 33.01 31.06 1wk1 s GLN 66 CO 0.00 0.55 0.77 -0.06 -2.12 0.00 0.00 175.29 174.43 1wk1 s PHE 67 N -1.59 3.41 0.33 0.91 0.08 -1.26 0.17 117.98 120.03 1wk1 s PHE 67 Ca 0.33 1.30 0.06 0.00 0.12 0.00 0.00 56.93 58.74 1wk1 s PHE 67 Cb -0.12 -2.60 -0.02 0.00 -0.57 0.00 0.00 43.02 39.71 1wk1 s PHE 67 CO 0.26 0.10 0.31 0.66 -0.10 0.00 0.00 175.22 176.44 1wk1 n TYR 68 N -0.24 -0.88 -4.70 0.36 4.02 0.12 -2.05 117.16 113.78 1wk1 n TYR 68 Ca 0.03 -2.69 -0.30 0.00 -0.01 0.00 0.00 57.90 54.93 1wk1 n TYR 68 Cb 0.53 0.32 -0.14 0.00 -0.02 0.00 0.00 39.34 40.04 1wk1 n TYR 68 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1wk1 s TRP 69 N -3.27 2.35 -0.24 -0.72 0.52 0.23 -1.68 118.94 116.13 1wk1 s TRP 69 Ca 0.38 -0.38 -0.27 0.00 0.02 0.00 0.00 56.10 55.85 1wk1 s TRP 69 Cb 0.01 -1.35 0.00 0.00 -1.15 0.00 0.00 33.47 30.98 1wk1 s TRP 69 CO 0.27 0.21 0.94 0.34 0.02 0.00 0.00 176.95 178.73 1wk1 s ASP 70 N -1.54 6.97 -0.16 2.95 -1.08 0.17 -3.38 116.67 120.59 1wk1 s ASP 70 Ca 0.13 1.20 0.15 0.00 -0.52 0.00 0.00 52.55 53.51 1wk1 s ASP 70 Cb -0.10 -2.49 0.35 0.00 -1.46 0.00 0.00 42.92 39.22 1wk1 s ASP 70 CO 0.04 -0.61 1.18 0.54 0.52 0.00 0.00 175.17 176.84 1wk1 n ARG 71 N 6.19 1.35 0.00 4.34 5.12 -1.26 -4.70 116.66 127.70 1wk1 n ARG 71 Ca 0.09 -2.87 0.00 0.00 -1.93 0.00 0.00 57.85 53.14 1wk1 n ARG 71 Cb 0.47 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 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 -1.18 -0.46 3.55 -0.13 0.00 -1.26 -4.64 105.19 101.07 1wk1 n GLY 72 Ca 0.17 -2.21 -0.41 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 0.00 3.57 0.00 1.61 0.74 -1.26 -4.30 119.66 120.01 1wk1 s GLN 73 Ca 0.00 -0.34 0.00 0.00 0.05 0.00 0.00 55.36 55.07 1wk1 s GLN 73 Cb 0.00 -3.81 0.00 0.00 1.10 0.00 0.00 33.01 30.30 1wk1 s GLN 73 CO 0.00 -0.57 0.00 0.41 -0.55 0.00 0.00 175.29 174.58 1wk1 n GLY 74 N 4.91 2.41 3.59 2.59 0.00 -1.26 -5.01 105.19 112.42 1wk1 n GLY 74 Ca -0.08 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 1wk1 n GLY 74 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wk1 n ILE 75 N 0.00 2.14 -1.83 -0.61 2.08 -1.26 -4.84 119.36 115.04 1wk1 n ILE 75 Ca 0.00 -0.50 -0.42 0.00 0.56 0.00 0.00 62.75 62.39 1wk1 n ILE 75 Cb 0.00 -1.05 -0.03 0.00 -0.75 0.00 0.00 39.64 37.82 1wk1 n ILE 75 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1wk1 s ASN 76 N -0.65 6.55 0.95 4.38 -0.87 -1.26 -4.76 114.94 119.29 1wk1 s ASN 76 Ca 0.60 2.47 -0.12 0.00 -1.57 0.00 0.00 52.86 54.25 1wk1 s ASN 76 Cb -0.63 -2.53 0.16 0.00 -0.02 0.00 0.00 41.25 38.22 1wk1 s ASN 76 CO 0.59 -0.99 1.09 -2.16 -2.57 0.00 0.00 177.10 173.06 1wk1 s PRO 77 N 4.17 0.85 -0.13 -0.60 0.04 -1.26 -4.82 135.00 133.26 1wk1 s PRO 77 Ca 0.81 0.68 -0.02 0.00 0.04 0.00 0.00 61.00 62.51 1wk1 s PRO 77 Cb -0.38 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 1wk1 s PRO 77 CO 0.36 -2.48 -0.07 -0.51 0.04 0.00 0.00 177.00 174.34 1wk1 s ASP 78 N -3.43 4.55 -0.12 6.66 1.11 -1.22 -4.88 116.67 119.35 1wk1 s ASP 78 Ca 0.64 -0.16 -0.30 0.00 0.18 0.00 0.00 52.55 52.92 1wk1 s ASP 78 Cb -0.18 -1.60 -0.02 0.00 1.07 0.00 0.00 42.92 42.18 1wk1 s ASP 78 CO 0.57 0.21 1.26 -0.22 1.18 0.00 0.00 175.17 178.17 1wk1 s LEU 79 N 0.10 4.22 -0.79 1.23 1.98 -1.26 -0.60 118.68 123.57 1wk1 s LEU 79 Ca -0.02 1.77 -0.26 0.00 -2.89 0.00 0.00 54.13 52.72 1wk1 s LEU 79 Cb -0.14 -3.55 -0.17 0.00 0.66 0.00 0.00 46.19 42.99 1wk1 s LEU 79 CO 0.03 -0.70 2.50 -0.11 -1.89 0.00 0.00 176.35 176.18 1wk1 n LEU 80 N 6.07 0.97 -2.36 -0.68 7.94 -0.87 -4.74 117.00 123.34 1wk1 n LEU 80 Ca 0.13 -0.35 -0.17 0.00 -1.11 0.00 0.00 56.01 54.51 1wk1 n LEU 80 Cb 0.45 -1.20 0.03 0.00 0.53 0.00 0.00 43.42 43.23 1wk1 n LEU 80 CO 0.56 -1.34 0.11 -3.20 -1.11 0.00 0.00 177.39 172.41 1wk1 n ASN 81 N 12.79 3.75 -4.88 1.96 5.15 -1.26 -4.97 115.26 127.80 1wk1 n ASN 81 Ca 0.54 -3.22 -0.36 0.00 -0.60 0.00 0.00 54.58 50.94 1wk1 n ASN 81 Cb 0.28 -0.41 -0.06 0.00 -0.53 0.00 0.00 39.78 39.06 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 -3.60 3.55 0.29 1.20 -2.07 -1.26 -5.00 119.66 112.76 1wk1 s GLN 82 Ca 0.42 -0.05 0.08 0.00 -1.82 0.00 0.00 55.36 53.99 1wk1 s GLN 82 Cb 0.39 -3.15 0.44 0.00 -1.09 0.00 0.00 33.01 29.60 1wk1 s GLN 82 CO -0.02 0.72 1.68 -1.00 -1.32 0.00 0.00 175.29 175.35 1wk1 h PRO 83 N 4.53 0.17 -5.44 9.60 0.13 -2.03 -3.43 132.00 135.53 1wk1 h PRO 83 Ca -0.52 -0.09 -0.63 0.00 -0.87 0.00 0.00 66.00 63.88 1wk1 h PRO 83 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 1wk1 h PRO 83 CO 0.62 0.61 -0.55 0.42 -0.23 0.00 0.00 178.00 178.87 1wk1 s ILE 84 N -4.01 4.93 0.09 -3.56 1.01 -1.26 -5.10 121.20 113.30 1wk1 s ILE 84 Ca -0.04 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.65 1wk1 s ILE 84 Cb 0.13 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 1wk1 s ILE 84 CO 0.77 0.51 -0.09 0.42 0.00 0.00 0.00 174.94 176.55 1wk1 s THR 85 N -0.06 0.78 -0.53 2.92 -4.23 -1.26 -5.04 115.64 108.22 1wk1 s THR 85 Ca 0.07 -1.60 0.12 0.00 -1.18 0.00 0.00 61.69 59.11 1wk1 s THR 85 Cb -0.12 -1.29 0.36 0.00 1.34 0.00 0.00 72.50 72.80 1wk1 s THR 85 CO 0.01 -0.61 1.29 -1.22 -0.54 0.00 0.00 174.62 173.55 1wk1 n TYR 86 N 0.58 0.58 -1.70 3.99 4.01 -1.26 -4.98 117.16 118.39 1wk1 n TYR 86 Ca -0.16 -0.67 -0.61 0.00 -0.16 0.00 0.00 57.90 56.29 1wk1 n TYR 86 Cb 0.58 -0.14 -0.08 0.00 -0.31 0.00 0.00 39.34 39.38 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 -0.05 1.76 -0.22 -0.72 5.03 -1.25 -2.79 117.44 119.20 1wk1 n TRP 87 Ca 0.15 0.84 -0.09 0.00 3.03 0.00 0.00 57.50 61.42 1wk1 n TRP 87 Cb 0.60 -2.32 0.09 0.00 -1.03 0.00 0.00 31.31 28.65 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 4.24 -1.62 -1.92 6.99 0.00 0.27 -4.63 120.51 123.84 1wk1 n ALA 88 Ca 0.27 -0.47 -0.37 0.00 0.00 0.00 0.00 53.44 52.87 1wk1 n ALA 88 Cb 0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 1wk1 n ALA 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wk1 s ASN 89 N -1.93 5.03 0.00 0.00 2.20 -1.26 -1.91 114.94 117.07 1wk1 s ASN 89 Ca 0.21 0.44 0.00 0.00 -0.94 0.00 0.00 52.86 52.56 1wk1 s ASN 89 Cb -0.04 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 36.69 1wk1 s ASN 89 CO 0.17 -2.56 0.00 0.61 -2.94 0.00 0.00 177.10 172.38 1wk1 n GLY 90 N 5.87 3.05 3.77 0.45 0.00 -1.26 -5.08 105.19 112.00 1wk1 n GLY 90 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.65 2.89 0.55 1.61 0.41 -0.80 -4.29 118.70 118.42 1wk1 s GLU 91 Ca 0.00 1.45 -0.19 0.00 -0.41 0.00 0.00 54.97 55.81 1wk1 s GLU 91 Cb 0.00 -1.96 -0.05 0.00 -1.78 0.00 0.00 34.13 30.34 1wk1 s GLU 91 CO 0.00 -1.19 1.13 -1.25 -0.49 0.00 0.00 175.26 173.46 1wk1 s PRO 92 N -3.93 3.32 0.79 0.39 0.04 -1.26 -4.60 135.00 129.76 1wk1 s PRO 92 Ca 0.68 1.60 -0.12 0.00 0.04 0.00 0.00 61.00 63.20 1wk1 s PRO 92 Cb -0.21 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.39 1wk1 s PRO 92 CO 0.39 -0.87 1.12 0.45 0.04 0.00 0.00 177.00 178.12 1wk1 s SER 93 N -1.83 4.60 -0.43 6.66 0.15 -1.26 -5.00 113.70 116.60 1wk1 s SER 93 Ca 0.72 1.12 0.04 0.00 0.70 0.00 0.00 55.95 58.54 1wk1 s SER 93 Cb -0.24 -1.81 0.45 0.00 -1.71 0.00 0.00 66.02 62.71 1wk1 s SER 93 CO 0.28 -1.88 1.45 -3.20 1.20 0.00 0.00 173.24 171.08 1wk1 n ASN 94 N -3.35 5.77 -4.72 5.45 2.85 -1.26 -5.01 115.26 114.98 1wk1 n ASN 94 Ca 0.07 -3.76 -0.35 0.00 -0.11 0.00 0.00 54.58 50.43 1wk1 n ASN 94 Cb 0.58 -0.55 -0.09 0.00 1.24 0.00 0.00 39.78 40.96 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 -3.01 5.73 0.29 1.20 1.11 -1.26 -5.00 116.67 115.72 1wk1 s ASP 95 Ca 0.54 0.21 0.07 0.00 0.18 0.00 0.00 52.55 53.56 1wk1 s ASP 95 Cb 0.44 -1.85 0.43 0.00 1.07 0.00 0.00 42.92 43.01 1wk1 s ASP 95 CO -0.02 0.30 1.68 1.55 1.18 0.00 0.00 175.17 179.86 1wk1 h PRO 96 N 5.76 0.19 0.00 8.23 0.13 -2.04 -2.80 132.00 141.47 1wk1 h PRO 96 Ca -0.46 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1wk1 h PRO 96 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wk1 h PRO 96 CO 0.62 0.62 0.00 1.79 -0.23 0.00 0.00 178.00 180.81 1wk1 h THR 97 N 0.16 0.00 -3.34 1.56 1.35 -1.98 -3.41 112.91 107.24 1wk1 h THR 97 Ca 0.01 -0.54 -0.66 0.00 -0.55 0.00 0.00 66.41 64.67 1wk1 h THR 97 Cb 0.89 1.51 -0.29 0.00 -1.73 0.00 0.00 68.15 68.53 1wk1 h THR 97 CO 0.07 0.00 -0.75 -0.13 -0.25 0.00 0.00 175.52 174.46 1wk1 s ARG 98 N -3.57 3.29 0.00 4.72 0.52 -1.06 -3.08 118.95 119.77 1wk1 s ARG 98 Ca 0.02 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 1wk1 s ARG 98 Cb 0.09 -2.93 0.00 0.00 0.52 0.00 0.00 34.95 32.62 1wk1 s ARG 98 CO 0.54 -0.21 0.00 1.04 0.02 0.00 0.00 175.30 176.70 1wk1 n GLN 99 N 4.76 0.46 -2.27 3.54 6.02 -1.13 -4.57 117.38 124.18 1wk1 n GLN 99 Ca -0.19 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.52 1wk1 n GLN 99 Cb 0.51 -0.73 0.02 0.00 1.02 0.00 0.00 30.24 31.05 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 -3.00 1.86 0.00 0.00 1.01 -1.18 -0.14 120.40 118.94 1wk1 s VAL 101 Ca 0.52 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1wk1 s VAL 101 Cb -0.11 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1wk1 s VAL 101 CO 0.48 0.38 -0.10 -0.72 0.00 0.00 0.00 175.10 175.14 1wk1 s TYR 102 N -0.69 0.88 -0.23 5.22 -0.85 -0.68 -3.38 117.35 117.63 1wk1 s TYR 102 Ca 0.09 -0.20 -0.29 0.00 -0.52 0.00 0.00 57.07 56.15 1wk1 s TYR 102 Cb -0.09 -0.56 -0.02 0.00 0.38 0.00 0.00 41.96 41.67 1wk1 s TYR 102 CO 0.01 -0.01 1.58 0.12 -1.52 0.00 0.00 175.55 175.72 1wk1 s PHE 103 N -0.37 2.18 -1.11 -3.49 2.19 0.31 -3.45 117.98 114.24 1wk1 s PHE 103 Ca 0.03 0.58 -0.20 0.00 0.33 0.00 0.00 56.93 57.67 1wk1 s PHE 103 Cb -0.05 -3.97 0.08 0.00 -1.31 0.00 0.00 43.02 37.78 1wk1 s PHE 103 CO -0.00 -2.79 1.49 0.34 1.83 0.00 0.00 175.22 176.08 1wk1 s ASP 104 N 4.03 6.67 0.39 6.13 2.15 -0.77 -2.90 116.67 132.38 1wk1 s ASP 104 Ca 0.69 -1.98 0.10 0.00 0.43 0.00 0.00 52.55 51.79 1wk1 s ASP 104 Cb -0.24 -2.53 0.87 0.00 -0.30 0.00 0.00 42.92 40.72 1wk1 s ASP 104 CO 0.28 -1.27 1.95 1.23 -0.17 0.00 0.00 175.17 177.19 1wk1 h GLY 105 N 12.08 0.84 1.45 2.66 0.00 -1.51 -1.09 103.07 117.51 1wk1 h GLY 105 Ca 0.28 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 1wk1 h GLY 105 CO 1.37 0.15 -0.20 3.21 0.00 0.00 0.00 176.54 181.07 1wk1 h ARG 106 N 0.60 0.64 -5.54 4.80 3.08 -1.77 -3.31 114.38 112.88 1wk1 h ARG 106 Ca 0.32 -0.24 -0.62 0.00 0.07 0.00 0.00 59.98 59.51 1wk1 h ARG 106 Cb 0.47 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.42 1wk1 h ARG 106 CO -0.11 0.80 1.54 0.45 -1.07 0.00 0.00 179.97 181.58 1wk1 n SER 107 N -4.13 0.79 -0.50 7.04 2.88 -0.41 -4.71 113.62 114.58 1wk1 n SER 107 Ca 0.00 0.36 0.43 0.00 -1.33 0.00 0.00 58.87 58.33 1wk1 n SER 107 Cb 0.40 -0.99 0.76 0.00 -0.75 0.00 0.00 64.21 63.64 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 11.29 0.18 -5.85 0.46 0.00 -1.87 -3.38 103.07 103.91 1wk1 h GLY 108 Ca -0.10 -0.02 -0.65 0.00 0.00 0.00 0.00 47.33 46.56 1wk1 h GLY 108 CO 1.22 -0.05 -0.48 -0.35 0.00 0.00 0.00 176.54 176.88 1wk1 s ASP 109 N -4.57 6.33 0.27 0.19 2.15 -1.26 -4.98 116.67 114.80 1wk1 s ASP 109 Ca -0.05 0.39 0.25 0.00 0.43 0.00 0.00 52.55 53.57 1wk1 s ASP 109 Cb 0.25 -2.08 0.62 0.00 -0.30 0.00 0.00 42.92 41.41 1wk1 s ASP 109 CO 0.85 0.33 1.68 0.07 -0.17 0.00 0.00 175.17 177.92 1wk1 h LYS 110 N 5.56 0.00 -0.02 4.34 2.10 -1.95 -3.10 116.57 123.50 1wk1 h LYS 110 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1wk1 h LYS 110 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1wk1 h LYS 110 CO 0.64 0.00 -0.04 0.45 -2.00 0.00 0.00 179.45 178.50 1wk1 n SER 111 N -2.52 1.97 -0.56 7.07 2.88 -1.26 -3.95 113.62 117.25 1wk1 n SER 111 Ca 0.05 -1.61 0.06 0.00 -1.33 0.00 0.00 58.87 56.04 1wk1 n SER 111 Cb 0.46 0.03 0.14 0.00 -0.75 0.00 0.00 64.21 64.10 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 0.48 1.14 0.07 -1.46 4.76 -1.17 -3.79 118.16 118.19 1wk1 n LYS 112 Ca 0.16 -2.71 -0.11 0.00 -2.87 0.00 0.00 58.31 52.78 1wk1 n LYS 112 Cb 0.44 -1.26 -0.13 0.00 -1.84 0.00 0.00 35.03 32.24 1wk1 n LYS 112 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1wk1 h VAL 113 N 2.05 1.51 -2.19 -0.18 -1.51 -1.60 -3.38 116.25 110.95 1wk1 h VAL 113 Ca -0.03 -3.17 -0.58 0.00 -1.23 0.00 0.00 66.70 61.69 1wk1 h VAL 113 Cb 1.16 2.84 -0.00 0.00 -2.13 0.00 0.00 31.29 33.16 1wk1 h VAL 113 CO 0.01 0.89 1.40 0.26 -1.23 0.00 0.00 177.57 178.91 1wk1 s TRP 114 N -2.67 1.32 -0.01 5.19 0.52 -1.12 -1.84 118.94 120.33 1wk1 s TRP 114 Ca -0.02 0.40 0.00 0.00 0.02 0.00 0.00 56.10 56.50 1wk1 s TRP 114 Cb 0.08 -4.01 0.01 0.00 -1.15 0.00 0.00 33.47 28.41 1wk1 s TRP 114 CO 0.85 -4.09 0.00 0.99 0.02 0.00 0.00 176.95 174.72 1wk1 s THR 115 N 7.35 0.04 0.08 2.01 2.01 -1.22 -0.57 115.64 125.35 1wk1 s THR 115 Ca 0.94 0.04 -0.21 0.00 0.31 0.00 0.00 61.69 62.77 1wk1 s THR 115 Cb -0.32 -0.08 -0.07 0.00 0.01 0.00 0.00 72.50 72.04 1wk1 s THR 115 CO 0.35 0.04 0.62 0.42 -0.69 0.00 0.00 174.62 175.37 1wk1 s THR 116 N 0.33 4.68 0.21 -0.82 -4.23 -1.26 -1.69 115.64 112.86 1wk1 s THR 116 Ca -0.03 1.32 -0.18 0.00 -1.18 0.00 0.00 61.69 61.63 1wk1 s THR 116 Cb -0.04 -3.95 0.03 0.00 1.34 0.00 0.00 72.50 69.87 1wk1 s THR 116 CO -0.01 0.53 0.55 -1.81 -0.54 0.00 0.00 174.62 173.35 1wk1 s ASP 117 N -1.02 -0.27 0.51 3.99 1.11 0.80 -4.89 116.67 116.91 1wk1 s ASP 117 Ca 0.31 -0.51 -0.22 0.00 0.18 0.00 0.00 52.55 52.31 1wk1 s ASP 117 Cb -0.20 0.60 -0.07 0.00 1.07 0.00 0.00 42.92 44.32 1wk1 s ASP 117 CO 0.20 -1.10 1.05 1.07 1.18 0.00 0.00 175.17 177.58 1wk1 n THR 118 N -0.36 3.11 -0.47 -1.27 5.66 -1.18 -2.47 114.28 117.29 1wk1 n THR 118 Ca -0.09 -0.50 -0.08 0.00 -3.05 0.00 0.00 64.05 60.33 1wk1 n THR 118 Cb 0.62 -1.25 0.19 0.00 -1.55 0.00 0.00 70.33 68.34 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 -0.22 2.25 -2.20 0.00 0.00 -1.26 -3.42 120.51 115.66 1wk1 n ALA 120 Ca 0.33 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 1wk1 n ALA 120 Cb 1.17 -0.14 -0.03 0.00 0.00 0.00 0.00 19.45 20.45 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 -2.01 3.72 -0.39 0.00 2.01 -1.25 -4.66 115.64 113.07 1wk1 s THR 121 Ca -0.01 1.06 -0.28 0.00 0.31 0.00 0.00 61.69 62.77 1wk1 s THR 121 Cb 0.03 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 1wk1 s THR 121 CO 0.16 -0.02 1.72 -2.16 -0.69 0.00 0.00 174.62 173.63 1wk1 s PRO 122 N 2.76 3.29 0.07 4.92 0.04 -1.26 -4.12 135.00 140.69 1wk1 s PRO 122 Ca 0.65 1.21 -0.01 0.00 0.04 0.00 0.00 61.00 62.88 1wk1 s PRO 122 Cb -0.31 -4.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.01 1wk1 s PRO 122 CO 0.26 -1.91 -0.01 1.03 0.04 0.00 0.00 177.00 176.41 1wk1 s ARG 123 N 5.68 0.67 0.87 4.56 0.52 -1.16 -4.57 118.95 125.52 1wk1 s ARG 123 Ca 0.74 -1.24 -0.11 0.00 -0.52 0.00 0.00 55.73 54.59 1wk1 s ARG 123 Cb -0.19 0.22 0.11 0.00 0.52 0.00 0.00 34.95 35.61 1wk1 s ARG 123 CO 0.32 -0.14 1.09 -1.25 0.02 0.00 0.00 175.30 175.34 1wk1 s PRO 124 N -3.94 1.46 0.36 3.54 0.04 -1.26 -0.69 135.00 134.51 1wk1 s PRO 124 Ca 0.10 0.89 -0.03 0.00 0.04 0.00 0.00 61.00 62.00 1wk1 s PRO 124 Cb 0.08 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.80 1wk1 s PRO 124 CO -0.08 -2.12 0.51 -0.59 0.04 0.00 0.00 177.00 174.76 1wk1 s PHE 125 N -2.93 1.05 -0.05 0.56 -0.71 -1.25 -0.40 117.98 114.24 1wk1 s PHE 125 Ca 0.63 -1.30 0.01 0.00 -1.04 0.00 0.00 56.93 55.22 1wk1 s PHE 125 Cb -0.18 -0.02 0.02 0.00 -1.21 0.00 0.00 43.02 41.64 1wk1 s PHE 125 CO 0.57 -1.20 -0.05 0.42 -1.34 0.00 0.00 175.22 173.62 1wk1 s ILE 126 N -2.86 0.57 0.13 -4.49 1.01 -1.26 -1.91 121.20 112.38 1wk1 s ILE 126 Ca 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.81 1wk1 s ILE 126 Cb -0.01 -0.60 -0.05 0.00 0.01 0.00 0.00 42.46 41.82 1wk1 s ILE 126 CO 0.21 0.24 0.32 0.00 0.00 0.00 0.00 174.94 175.70 1wk1 s GLN 128 N -2.82 0.63 0.41 0.00 0.74 0.25 -0.81 119.66 118.06 1wk1 s GLN 128 Ca 0.38 1.07 0.01 0.00 0.05 0.00 0.00 55.36 56.87 1wk1 s GLN 128 Cb -0.12 0.12 -0.01 0.00 1.10 0.00 0.00 33.01 34.10 1wk1 s GLN 128 CO 0.27 -0.14 0.62 -1.59 -0.55 0.00 0.00 175.29 173.90 1wk1 s LYS 129 N 1.41 3.15 -0.01 1.67 -2.85 -1.26 -1.13 119.74 120.71 1wk1 s LYS 129 Ca -0.09 -0.53 -0.30 0.00 -1.00 0.00 0.00 55.97 54.05 1wk1 s LYS 129 Cb -0.06 -2.62 -0.07 0.00 -2.06 0.00 0.00 37.83 33.03 1wk1 s LYS 129 CO -0.15 -0.14 1.82 -1.58 0.10 0.00 0.00 175.35 175.39 1wk1 s HIS 130 N -2.46 1.62 0.20 1.78 5.65 -1.26 -4.89 115.29 115.94 1wk1 s HIS 130 Ca 0.46 -0.13 -0.20 0.00 0.25 0.00 0.00 55.06 55.45 1wk1 s HIS 130 Cb -0.10 -4.08 0.15 0.00 -1.18 0.00 0.00 32.58 27.37 1wk1 s HIS 130 CO 0.37 -4.71 1.58 0.00 -0.65 0.00 0.00 174.74 171.33 1wk1 h ARG 131 N 10.13 -0.12 -5.08 2.88 2.47 -2.05 -3.11 114.38 119.51 1wk1 h ARG 131 Ca -0.44 0.01 -0.70 0.00 -1.26 0.00 0.00 59.98 57.58 1wk1 h ARG 131 Cb 1.21 0.03 -0.16 0.00 -1.65 0.00 0.00 29.97 29.39 1wk1 h ARG 131 CO 0.95 -0.08 1.21 0.71 0.56 0.00 0.00 179.97 183.32 1wk1 s TYR 132 N -5.99 3.20 -0.08 3.04 2.02 -1.26 -4.93 117.35 113.34 1wk1 s TYR 132 Ca -0.14 -1.67 -0.03 0.00 -0.37 0.00 0.00 57.07 54.86 1wk1 s TYR 132 Cb 0.17 -4.37 0.05 0.00 -0.40 0.00 0.00 41.96 37.41 1wk1 s TYR 132 CO 0.70 -1.52 0.16 0.34 -1.57 0.00 0.00 175.55 173.66 1wk1 s ASP 133 N 3.47 0.74 -0.06 2.29 2.15 -1.18 -5.15 116.67 118.93 1wk1 s ASP 133 Ca 0.40 0.33 0.00 0.00 0.43 0.00 0.00 52.55 53.71 1wk1 s ASP 133 Cb -0.03 0.27 -0.03 0.00 -0.30 0.00 0.00 42.92 42.83 1wk1 s ASP 133 CO -0.04 -0.24 -0.04 -0.94 -0.17 0.00 0.00 175.17 173.74 1wk1 s SER 134 N 2.27 4.90 0.20 -0.34 1.04 -1.26 -5.09 113.70 115.42 1wk1 s SER 134 Ca 0.03 0.03 -0.30 0.00 0.48 0.00 0.00 55.95 56.19 1wk1 s SER 134 Cb -0.12 -1.29 -0.08 0.00 0.10 0.00 0.00 66.02 64.63 1wk1 s SER 134 CO -0.06 0.36 1.17 1.51 0.98 0.00 0.00 173.24 177.20 1wk1 s ASP 135 N -0.94 7.13 0.11 7.02 1.47 -1.26 -4.94 116.67 125.26 1wk1 s ASP 135 Ca 0.14 2.22 0.00 0.00 1.18 0.00 0.00 52.55 56.09 1wk1 s ASP 135 Cb -0.11 -2.61 0.00 0.00 -0.34 0.00 0.00 42.92 39.86 1wk1 s ASP 135 CO 0.03 -0.33 0.00 1.57 0.68 0.00 0.00 175.17 177.12 1wk1 n HIS 136 N 2.30 -0.16 -3.75 2.11 -0.00 -1.26 -5.07 115.22 109.40 1wk1 n HIS 136 Ca 0.03 0.03 -0.35 0.00 0.46 0.00 0.00 57.72 57.89 1wk1 n HIS 136 Cb 0.45 0.04 -0.05 0.00 -0.12 0.00 0.00 29.99 30.30 1wk1 n HIS 136 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1wk1 s LYS 137 N -1.95 3.59 0.23 1.57 1.02 -1.26 -5.07 119.74 117.87 1wk1 s LYS 137 Ca 0.00 -0.04 -0.30 0.00 0.02 0.00 0.00 55.97 55.65 1wk1 s LYS 137 Cb 0.00 -3.10 -0.09 0.00 -0.52 0.00 0.00 37.83 34.12 1wk1 s LYS 137 CO 0.00 0.66 1.28 -1.25 -0.92 0.00 0.00 175.35 175.12 1wk1 s PRO 138 N -1.65 4.41 -0.30 -1.68 0.04 -1.26 -5.02 135.00 129.54 1wk1 s PRO 138 Ca 0.26 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.22 1wk1 s PRO 138 Cb -0.13 -3.18 0.16 0.00 0.04 0.00 0.00 34.50 31.39 1wk1 s PRO 138 CO 0.15 -0.18 0.90 0.54 0.04 0.00 0.00 177.00 178.44 1wk1 s ASN 139 N 0.06 -0.73 -0.14 6.66 4.22 -1.26 -5.17 114.94 118.58 1wk1 s ASN 139 Ca 0.54 0.95 -0.12 0.00 -2.14 0.00 0.00 52.86 52.09 1wk1 s ASN 139 Cb -0.36 1.81 0.04 0.00 1.28 0.00 0.00 41.25 44.02 1wk1 s ASN 139 CO 0.41 -0.14 0.37 0.42 -2.04 0.00 0.00 177.10 176.12 1wk1 s THR 140 N 2.59 -0.00 -0.19 0.54 -4.23 -1.26 -5.14 115.64 107.95 1wk1 s THR 140 Ca -0.02 0.01 -0.31 0.00 -1.18 0.00 0.00 61.69 60.19 1wk1 s THR 140 Cb -0.08 -0.52 0.15 0.00 1.34 0.00 0.00 72.50 73.39 1wk1 s THR 140 CO -0.18 0.01 1.14 -0.51 -0.54 0.00 0.00 174.62 174.54 1wk1 s ILE 141 N 0.35 0.00 0.00 2.99 2.07 -1.26 -5.16 121.20 120.20 1wk1 s ILE 141 Ca -0.01 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 1wk1 s ILE 141 Cb -0.03 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.56 1wk1 s ILE 141 CO -0.01 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 1wk1 n GLY 142 N 0.44 -0.40 3.23 1.50 0.00 -1.26 -4.91 105.19 103.79 1wk1 n GLY 142 Ca -0.05 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 1wk1 n GLY 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wk1 s ASP 143 N -4.00 -0.30 -1.15 1.61 1.01 -1.26 -5.07 116.67 107.51 1wk1 s ASP 143 Ca 0.00 0.48 -0.23 0.00 0.71 0.00 0.00 52.55 53.51 1wk1 s ASP 143 Cb 0.00 0.56 -0.08 0.00 1.01 0.00 0.00 42.92 44.41 1wk1 s ASP 143 CO 0.00 -0.23 1.94 0.00 0.21 0.00 0.00 175.17 177.08 1wk1 s ALA 144 N -0.35 1.78 0.25 5.23 0.00 -1.26 -4.81 121.76 122.60 1wk1 s ALA 144 Ca -0.05 -2.07 -0.22 0.00 0.00 0.00 0.00 51.96 49.62 1wk1 s ALA 144 Cb -0.03 -4.66 0.03 0.00 0.00 0.00 0.00 23.12 18.46 1wk1 s ALA 144 CO 0.02 -5.18 0.76 0.45 0.00 0.00 0.00 175.76 171.81 1wk1 s SER 145 N 6.70 -0.26 -0.23 0.00 0.15 -1.26 -5.10 113.70 113.70 1wk1 s SER 145 Ca 0.69 -0.54 -0.04 0.00 0.70 0.00 0.00 55.95 56.76 1wk1 s SER 145 Cb -0.02 0.68 0.08 0.00 -1.71 0.00 0.00 66.02 65.05 1wk1 s SER 145 CO 0.11 -1.24 0.09 -0.83 1.20 0.00 0.00 173.24 172.57 1wk1 s GLY 146 N -2.92 0.58 0.78 9.45 0.00 -1.26 -4.90 107.32 109.05 1wk1 s GLY 146 Ca 0.11 -0.84 -0.11 0.00 0.00 0.00 0.00 44.72 43.88 1wk1 s GLY 146 CO 0.05 1.75 1.09 2.56 0.00 0.00 0.00 173.10 178.56 1wk1 s PRO 147 N 1.99 2.22 0.21 2.90 0.04 -1.26 -5.08 135.00 136.02 1wk1 s PRO 147 Ca 0.05 1.17 -0.00 0.00 0.04 0.00 0.00 61.00 62.25 1wk1 s PRO 147 Cb -0.16 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1wk1 s PRO 147 CO -0.20 -1.67 0.12 -1.12 0.04 0.00 0.00 177.00 174.17 1wk1 s SER 148 N -3.39 0.39 0.02 6.66 0.01 -1.26 -5.14 113.70 110.99 1wk1 s SER 148 Ca 0.61 -1.38 0.07 0.00 1.31 0.00 0.00 55.95 56.56 1wk1 s SER 148 Cb -0.17 0.33 -0.02 0.00 0.21 0.00 0.00 66.02 66.36 1wk1 s SER 148 CO 0.56 -0.81 -0.20 -0.44 0.41 0.00 0.00 173.24 172.77 1wk1 s SER 149 N -3.19 2.34 0.00 2.44 0.01 -1.26 -5.17 113.70 108.87 1wk1 s SER 149 Ca 0.38 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1wk1 s SER 149 Cb 0.07 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1wk1 s SER 149 CO 0.12 0.18 0.50 0.61 0.41 0.00 0.00 173.24 175.06