#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk1 n SER 2 N 0.00 0.50 0.02 1.61 3.41 -1.26 -4.75 113.62 113.15 1wk1 n SER 2 Ca 0.00 0.44 -0.02 0.00 -0.26 0.00 0.00 58.87 59.03 1wk1 n SER 2 Cb 0.00 -0.71 -0.01 0.00 -0.26 0.00 0.00 64.21 63.24 1wk1 n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wk1 n SER 3 N 6.44 1.18 -4.84 4.04 2.88 -1.26 -5.10 113.62 116.96 1wk1 n SER 3 Ca 0.45 0.16 -0.23 0.00 -1.33 0.00 0.00 58.87 57.92 1wk1 n SER 3 Cb -0.02 -0.39 -0.04 0.00 -0.75 0.00 0.00 64.21 63.01 1wk1 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wk1 s GLY 4 N -4.08 2.26 -0.14 0.46 0.00 -1.26 -5.12 107.32 99.43 1wk1 s GLY 4 Ca -0.05 -1.82 -0.06 0.00 0.00 0.00 0.00 44.72 42.79 1wk1 s GLY 4 CO 0.07 -1.82 0.07 -0.56 0.00 0.00 0.00 173.10 170.86 1wk1 s SER 5 N -4.09 5.78 -0.60 1.64 0.01 -1.26 -5.07 113.70 110.11 1wk1 s SER 5 Ca 0.43 0.22 -0.08 0.00 1.31 0.00 0.00 55.95 57.82 1wk1 s SER 5 Cb -0.01 -1.88 0.16 0.00 0.21 0.00 0.00 66.02 64.50 1wk1 s SER 5 CO 0.25 0.29 0.48 -0.44 0.41 0.00 0.00 173.24 174.22 1wk1 s SER 6 N -0.33 5.82 0.00 2.44 0.01 -1.26 -5.00 113.70 115.38 1wk1 s SER 6 Ca 0.09 -2.38 0.00 0.00 1.31 0.00 0.00 55.95 54.97 1wk1 s SER 6 Cb -0.12 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.10 1wk1 s SER 6 CO 0.02 -0.57 0.01 0.61 0.41 0.00 0.00 173.24 173.71 1wk1 n GLY 7 N 4.26 -1.86 3.69 3.44 0.00 -1.26 -4.83 105.19 108.62 1wk1 n GLY 7 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.01 4.75 0.54 1.61 1.01 -1.26 -5.10 120.40 121.94 1wk1 s VAL 8 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.80 1wk1 s VAL 8 Cb 0.00 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 1wk1 s VAL 8 CO 0.00 0.53 0.94 -0.54 0.00 0.00 0.00 175.10 176.04 1wk1 s LYS 9 N -0.23 3.70 -0.00 2.72 1.02 -1.26 -5.08 119.74 120.61 1wk1 s LYS 9 Ca 0.08 0.68 0.03 0.00 0.02 0.00 0.00 55.97 56.77 1wk1 s LYS 9 Cb -0.12 -2.18 -0.03 0.00 -0.52 0.00 0.00 37.83 34.97 1wk1 s LYS 9 CO 0.01 -0.36 -0.05 -0.06 -0.92 0.00 0.00 175.35 173.97 1wk1 s PHE 10 N -2.86 2.93 -1.60 3.18 0.08 -1.26 -4.47 117.98 113.98 1wk1 s PHE 10 Ca 0.54 -0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.58 1wk1 s PHE 10 Cb -0.11 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.72 1wk1 s PHE 10 CO 0.44 0.39 0.00 1.28 -0.10 0.00 0.00 175.22 177.23 1wk1 n LEU 11 N 1.57 -1.76 -3.96 -0.37 4.77 -0.11 -4.98 117.00 112.16 1wk1 n LEU 11 Ca -0.15 0.04 -0.22 0.00 -0.03 0.00 0.00 56.01 55.65 1wk1 n LEU 11 Cb 0.53 -2.61 -0.16 0.00 -2.33 0.00 0.00 43.42 38.85 1wk1 n LEU 11 CO 0.31 -0.29 -0.44 0.42 -1.33 0.00 0.00 177.39 176.07 1wk1 s THR 12 N -2.87 0.80 -0.27 -5.08 -4.23 -1.26 -5.03 115.64 97.68 1wk1 s THR 12 Ca 0.00 -0.29 -0.29 0.00 -1.18 0.00 0.00 61.69 59.93 1wk1 s THR 12 Cb 0.00 -0.76 -0.02 0.00 1.34 0.00 0.00 72.50 73.06 1wk1 s THR 12 CO 0.00 0.28 1.58 -0.69 -0.54 0.00 0.00 174.62 175.25 1wk1 s VAL 13 N 0.74 3.74 -0.12 2.29 1.01 -1.26 -4.51 120.40 122.29 1wk1 s VAL 13 Ca -0.12 0.81 -0.22 0.00 0.00 0.00 0.00 61.98 62.45 1wk1 s VAL 13 Cb -0.15 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1wk1 s VAL 13 CO 0.02 -0.40 0.64 0.20 0.00 0.00 0.00 175.10 175.56 1wk1 s ASN 14 N 4.35 6.84 0.21 3.32 0.01 -1.08 -4.97 114.94 123.62 1wk1 s ASN 14 Ca 0.70 1.01 -0.11 0.00 -0.71 0.00 0.00 52.86 53.75 1wk1 s ASN 14 Cb -0.22 -2.37 0.29 0.00 0.41 0.00 0.00 41.25 39.36 1wk1 s ASN 14 CO 0.30 -0.15 1.67 0.44 -1.51 0.00 0.00 177.10 177.85 1wk1 h ASP 15 N 6.98 -0.23 0.00 -1.22 5.19 -1.93 -3.36 116.42 121.84 1wk1 h ASP 15 Ca -0.38 0.15 -0.57 0.00 -0.62 0.00 0.00 57.03 55.61 1wk1 h ASP 15 Cb 1.17 0.25 -0.07 0.00 0.18 0.00 0.00 39.33 40.87 1wk1 h ASP 15 CO 0.76 -0.10 1.53 0.47 -3.12 0.00 0.00 179.24 178.79 1wk1 n ASP 16 N -5.26 0.44 -4.73 6.45 8.00 -1.26 -4.55 116.55 115.63 1wk1 n ASP 16 Ca 0.09 0.35 -0.40 0.00 0.71 0.00 0.00 54.79 55.53 1wk1 n ASP 16 Cb 0.35 -0.87 -0.05 0.00 -0.02 0.00 0.00 41.12 40.53 1wk1 n ASP 16 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1wk1 s ILE 17 N 7.56 4.68 -0.17 0.53 -4.36 -1.26 -4.43 121.20 123.74 1wk1 s ILE 17 Ca 1.25 1.82 -0.18 0.00 -0.26 0.00 0.00 60.65 63.28 1wk1 s ILE 17 Cb -1.29 -4.21 0.05 0.00 1.25 0.00 0.00 42.46 38.26 1wk1 s ILE 17 CO 0.53 0.32 0.49 -0.76 0.24 0.00 0.00 174.94 175.76 1wk1 s LEU 18 N 0.10 0.12 1.03 0.37 1.43 -0.10 -4.63 118.68 117.01 1wk1 s LEU 18 Ca 0.43 0.92 -0.14 0.00 -1.03 0.00 0.00 54.13 54.30 1wk1 s LEU 18 Cb -0.21 1.72 0.12 0.00 0.03 0.00 0.00 46.19 47.84 1wk1 s LEU 18 CO 0.26 -0.22 0.51 -1.54 0.23 0.00 0.00 176.35 175.59 1wk1 n SER 19 N 2.59 -1.71 -0.06 2.29 3.41 -1.25 -3.26 113.62 115.62 1wk1 n SER 19 Ca -0.14 0.14 -0.07 0.00 -0.26 0.00 0.00 58.87 58.53 1wk1 n SER 19 Cb 0.57 -1.19 -0.01 0.00 -0.26 0.00 0.00 64.21 63.32 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 -1.95 -0.12 0.00 4.33 4.05 -1.78 0.46 114.93 119.93 1wk1 h MET 20 Ca -0.49 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 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 0.39 -0.08 0.00 -0.35 0.23 0.00 0.00 176.91 177.10 1wk1 n PRO 21 N -5.31 0.28 -0.07 0.39 -0.04 -1.26 -2.55 135.00 126.44 1wk1 n PRO 21 Ca -0.01 0.11 -0.07 0.00 -0.04 0.00 0.00 63.50 63.49 1wk1 n PRO 21 Cb 0.23 -1.50 -0.11 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 -1.21 1.63 0.04 0.54 6.02 0.35 -4.41 117.38 120.34 1wk1 n GLN 22 Ca 0.08 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.05 1wk1 n GLN 22 Cb 0.10 -1.36 -0.01 0.00 1.02 0.00 0.00 30.24 30.00 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 0.63 -0.29 -0.99 -1.58 0.00 0.06 -2.89 119.26 114.20 1wk1 h ALA 23 Ca -0.38 -0.03 0.35 0.00 0.00 0.00 0.00 54.91 54.85 1wk1 h ALA 23 Cb 1.83 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 19.50 1wk1 h ALA 23 CO 0.01 -0.28 0.37 0.07 0.00 0.00 0.00 179.25 179.43 1wk1 h ARG 24 N -0.43 0.06 -0.51 0.00 0.11 -1.75 1.45 114.38 113.31 1wk1 h ARG 24 Ca -0.01 -0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.00 1wk1 h ARG 24 Cb 0.10 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.15 1wk1 h ARG 24 CO 0.02 0.04 0.04 -0.97 0.10 0.00 0.00 179.97 179.20 1wk1 h ASN 25 N 0.06 0.78 0.48 0.08 -1.24 -1.77 -2.59 115.58 111.38 1wk1 h ASN 25 Ca 0.74 -0.18 -0.02 0.00 0.71 0.00 0.00 56.30 57.55 1wk1 h ASN 25 Cb 1.80 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.65 1wk1 h ASN 25 CO -0.78 0.83 -0.23 0.15 -1.29 0.00 0.00 177.43 176.10 1wk1 h PHE 26 N 0.78 -0.60 -0.95 0.67 3.04 0.22 -2.58 116.94 117.52 1wk1 h PHE 26 Ca 0.16 -0.01 0.29 0.00 3.98 0.00 0.00 57.97 62.38 1wk1 h PHE 26 Cb 0.41 0.20 -0.15 0.00 2.56 0.00 0.00 35.95 38.97 1wk1 h PHE 26 CO 0.02 -0.37 0.37 0.00 -2.02 0.00 0.00 178.31 176.31 1wk1 h ALA 28 N 1.85 0.41 -0.69 0.00 0.00 -1.16 0.34 119.26 120.00 1wk1 h ALA 28 Ca 0.65 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.56 1wk1 h ALA 28 Cb 1.44 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1wk1 h ALA 28 CO -0.67 -0.17 0.45 0.77 0.00 0.00 0.00 179.25 179.63 1wk1 h SER 29 N 0.39 0.79 -0.47 0.00 0.02 0.07 -2.38 113.55 111.97 1wk1 h SER 29 Ca 0.13 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1wk1 h SER 29 Cb 0.00 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1wk1 h SER 29 CO -0.06 0.57 0.06 0.00 -1.14 0.00 0.00 176.83 176.26 1wk1 h ALA 30 N 1.25 1.11 0.00 3.77 0.00 -0.92 -3.46 119.26 121.01 1wk1 h ALA 30 Ca 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wk1 h ALA 30 Cb -0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1wk1 h ALA 30 CO -0.05 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.19 1wk1 n GLY 31 N -0.70 0.80 0.00 0.00 0.00 -0.19 -4.97 105.19 100.13 1wk1 n GLY 31 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 3.31 3.42 -0.02 0.00 0.10 -4.78 105.19 107.22 1wk1 n GLY 32 Ca 0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.37 -0.27 0.24 1.61 1.13 0.81 -2.53 117.35 114.97 1wk1 s TYR 33 Ca 0.00 -0.02 -0.31 0.00 -1.41 0.00 0.00 57.07 55.33 1wk1 s TYR 33 Cb 0.00 0.39 -0.14 0.00 -1.10 0.00 0.00 41.96 41.11 1wk1 s TYR 33 CO 0.00 -0.82 1.25 1.28 -2.51 0.00 0.00 175.55 174.75 1wk1 n LEU 34 N -0.31 2.46 -4.70 -3.49 4.77 -1.26 0.10 117.00 114.58 1wk1 n LEU 34 Ca -0.14 1.16 -0.41 0.00 -0.03 0.00 0.00 56.01 56.58 1wk1 n LEU 34 Cb 0.64 -1.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.34 1wk1 n LEU 34 CO 0.16 -0.89 0.62 0.00 -1.33 0.00 0.00 177.39 175.94 1wk1 s ALA 35 N -0.42 3.36 0.48 -1.18 0.00 -0.39 -4.52 121.76 119.08 1wk1 s ALA 35 Ca 0.66 0.27 -0.16 0.00 0.00 0.00 0.00 51.96 52.73 1wk1 s ALA 35 Cb -0.70 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.10 1wk1 s ALA 35 CO 0.54 -0.40 0.93 0.16 0.00 0.00 0.00 175.76 176.98 1wk1 s ASP 36 N 1.02 6.64 -0.49 0.00 1.47 -1.26 -2.88 116.67 121.16 1wk1 s ASP 36 Ca 0.44 1.48 0.02 0.00 1.18 0.00 0.00 52.55 55.67 1wk1 s ASP 36 Cb -0.18 -2.47 0.47 0.00 -0.34 0.00 0.00 42.92 40.40 1wk1 s ASP 36 CO 0.19 -0.51 1.69 0.47 0.68 0.00 0.00 175.17 177.69 1wk1 n ASP 37 N -1.39 6.01 -4.48 2.11 9.92 -1.26 -4.91 116.55 122.56 1wk1 n ASP 37 Ca 0.06 -3.77 -0.43 0.00 -0.53 0.00 0.00 54.79 50.12 1wk1 n ASP 37 Cb 0.54 -0.72 -0.06 0.00 -0.64 0.00 0.00 41.12 40.24 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 -3.66 4.61 0.00 0.64 1.43 -1.26 -4.46 118.68 115.97 1wk1 s LEU 38 Ca 0.58 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1wk1 s LEU 38 Cb 0.46 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 44.07 1wk1 s LEU 38 CO 0.01 -1.01 0.00 0.61 0.23 0.00 0.00 176.35 176.20 1wk1 n GLY 39 N 5.14 4.13 0.39 -3.19 0.00 -1.26 -4.68 105.19 105.72 1wk1 n GLY 39 Ca -0.03 -0.96 0.17 0.00 0.00 0.00 0.00 46.02 45.20 1wk1 n GLY 39 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1wk1 h ASP 40 N 0.00 0.49 0.97 1.61 3.58 -2.00 0.30 116.42 121.37 1wk1 h ASP 40 Ca 0.00 0.05 -0.16 0.00 0.42 0.00 0.00 57.03 57.34 1wk1 h ASP 40 Cb 0.00 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 1wk1 h ASP 40 CO 0.00 0.21 -0.74 0.44 -2.88 0.00 0.00 179.24 176.27 1wk1 h ASP 41 N 0.49 0.00 -0.06 2.28 3.32 -1.98 -2.53 116.42 117.95 1wk1 h ASP 41 Ca 0.47 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.43 1wk1 h ASP 41 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1wk1 h ASP 41 CO -0.20 0.74 -0.32 0.50 -1.72 0.00 0.00 179.24 178.25 1wk1 h LYS 42 N 0.00 0.32 0.05 3.56 1.63 -0.81 -2.48 116.57 118.85 1wk1 h LYS 42 Ca -0.01 -0.27 -0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1wk1 h LYS 42 Cb 1.43 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.12 1wk1 h LYS 42 CO 0.10 0.91 -0.02 -0.97 -3.45 0.00 0.00 179.45 176.02 1wk1 h ASN 43 N -0.19 -0.06 -0.17 4.20 -1.24 -0.99 -2.79 115.58 114.35 1wk1 h ASN 43 Ca -0.02 -0.26 0.05 0.00 0.71 0.00 0.00 56.30 56.77 1wk1 h ASN 43 Cb 0.98 0.01 -0.05 0.00 0.73 0.00 0.00 38.32 39.99 1wk1 h ASN 43 CO 0.07 0.23 -0.14 0.78 -1.29 0.00 0.00 177.43 177.08 1wk1 h ASN 44 N -0.35 -0.45 -0.81 1.15 2.35 -1.56 0.16 115.58 116.08 1wk1 h ASN 44 Ca -0.01 0.09 0.20 0.00 -0.55 0.00 0.00 56.30 56.03 1wk1 h ASN 44 Cb 0.31 0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.86 1wk1 h ASN 44 CO 0.01 -0.18 0.55 0.15 -1.65 0.00 0.00 177.43 176.31 1wk1 h PHE 45 N -0.15 0.31 0.01 1.19 3.57 -1.44 -1.74 116.94 118.69 1wk1 h PHE 45 Ca 0.11 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1wk1 h PHE 45 Cb 0.31 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1wk1 h PHE 45 CO -0.28 0.09 -0.10 1.88 -2.23 0.00 0.00 178.31 177.67 1wk1 h TYR 46 N 0.25 0.08 -0.95 0.41 0.05 -0.84 -3.30 116.97 112.66 1wk1 h TYR 46 Ca 0.40 -0.05 0.28 0.00 0.05 0.00 0.00 58.73 59.41 1wk1 h TYR 46 Cb 1.20 -0.01 -0.15 0.00 1.01 0.00 0.00 36.73 38.79 1wk1 h TYR 46 CO -0.00 0.97 0.43 1.03 -1.05 0.00 0.00 178.16 179.54 1wk1 h SER 47 N -0.83 0.31 0.49 3.88 0.87 0.13 0.93 113.55 119.33 1wk1 h SER 47 Ca -0.02 0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1wk1 h SER 47 Cb 1.00 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 1wk1 h SER 47 CO 0.02 -0.14 -0.32 0.77 -0.53 0.00 0.00 176.83 176.63 1wk1 h SER 48 N 0.29 -0.83 0.99 6.23 4.64 -1.54 -2.18 113.55 121.15 1wk1 h SER 48 Ca 0.66 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 62.03 1wk1 h SER 48 Cb 1.43 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.77 1wk1 h SER 48 CO -0.63 -0.50 0.00 2.30 -0.87 0.00 0.00 176.83 177.13 1wk1 n ILE 49 N -5.46 0.74 0.11 0.95 -5.35 -0.10 -2.78 119.36 107.48 1wk1 n ILE 49 Ca -0.11 0.05 -0.02 0.00 -0.27 0.00 0.00 62.75 62.39 1wk1 n ILE 49 Cb 0.35 -0.96 0.14 0.00 -1.74 0.00 0.00 39.64 37.44 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 -1.78 3.41 -1.54 -1.28 0.00 0.30 -4.84 120.51 114.79 1wk1 n ALA 50 Ca 0.03 -1.01 -0.31 0.00 0.00 0.00 0.00 53.44 52.16 1wk1 n ALA 50 Cb 0.30 -1.11 -0.08 0.00 0.00 0.00 0.00 19.45 18.56 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 0.08 0.61 -3.21 0.00 0.00 -1.12 -1.14 120.51 115.74 1wk1 n ALA 51 Ca 0.18 -0.90 -0.22 0.00 0.00 0.00 0.00 53.44 52.50 1wk1 n ALA 51 Cb 0.80 -2.97 0.05 0.00 0.00 0.00 0.00 19.45 17.34 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 14.53 -6.01 -3.86 0.00 3.02 -1.26 -4.96 115.26 116.72 1wk1 n ASN 52 Ca 0.48 -0.37 -0.19 0.00 -0.03 0.00 0.00 54.58 54.47 1wk1 n ASN 52 Cb 0.38 -4.75 -0.16 0.00 -0.61 0.00 0.00 39.78 34.64 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 -3.21 0.39 -0.20 3.41 2.01 -0.29 -4.77 115.64 112.98 1wk1 s THR 53 Ca 0.40 -0.04 -0.04 0.00 0.31 0.00 0.00 61.69 62.31 1wk1 s THR 53 Cb -0.18 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 1wk1 s THR 53 CO 0.49 0.19 -0.02 -1.10 -0.69 0.00 0.00 174.62 173.49 1wk1 s GLN 54 N 0.92 3.55 0.17 4.92 -0.21 -1.26 -2.61 119.66 125.14 1wk1 s GLN 54 Ca -0.11 -0.55 0.02 0.00 0.02 0.00 0.00 55.36 54.73 1wk1 s GLN 54 Cb -0.14 -3.03 -0.05 0.00 1.00 0.00 0.00 33.01 30.79 1wk1 s GLN 54 CO -0.00 -0.02 -0.01 -0.59 -2.12 0.00 0.00 175.29 172.55 1wk1 s PHE 55 N 1.05 1.20 0.92 0.91 -0.71 -1.14 -4.06 117.98 116.16 1wk1 s PHE 55 Ca 0.02 -1.00 -0.14 0.00 -1.04 0.00 0.00 56.93 54.77 1wk1 s PHE 55 Cb -0.14 -0.68 0.15 0.00 -1.21 0.00 0.00 43.02 41.13 1wk1 s PHE 55 CO 0.01 -0.19 1.18 -1.58 -1.34 0.00 0.00 175.22 173.30 1wk1 s TRP 56 N -3.64 2.26 0.37 3.49 0.52 0.94 0.03 118.94 122.91 1wk1 s TRP 56 Ca 0.23 0.70 -0.03 0.00 0.02 0.00 0.00 56.10 57.02 1wk1 s TRP 56 Cb 0.06 -3.56 0.01 0.00 -1.15 0.00 0.00 33.47 28.83 1wk1 s TRP 56 CO 0.03 -2.42 0.52 0.96 0.02 0.00 0.00 176.95 176.06 1wk1 s ILE 57 N -3.44 0.00 -0.67 2.03 -4.36 -1.24 -4.35 121.20 109.17 1wk1 s ILE 57 Ca 0.66 -1.54 0.21 0.00 -0.26 0.00 0.00 60.65 59.71 1wk1 s ILE 57 Cb -0.11 -2.72 0.21 0.00 1.25 0.00 0.00 42.46 41.08 1wk1 s ILE 57 CO 0.52 0.00 1.63 0.61 0.24 0.00 0.00 174.94 177.95 1wk1 n GLY 58 N -0.60 -1.20 3.68 6.27 0.00 -1.14 -4.69 105.19 107.51 1wk1 n GLY 58 Ca 0.00 0.03 -0.43 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 -3.96 4.22 -0.10 0.99 2.96 -1.26 -0.27 118.68 121.27 1wk1 s LEU 59 Ca 0.06 1.66 -0.25 0.00 -0.22 0.00 0.00 54.13 55.38 1wk1 s LEU 59 Cb 0.10 -3.55 0.06 0.00 0.50 0.00 0.00 46.19 43.29 1wk1 s LEU 59 CO 0.36 -0.62 0.58 0.72 -1.32 0.00 0.00 176.35 176.08 1wk1 s PHE 60 N 2.67 -0.57 -0.07 5.38 -0.12 -0.94 -2.75 117.98 121.57 1wk1 s PHE 60 Ca 0.52 1.10 -0.28 0.00 -0.05 0.00 0.00 56.93 58.23 1wk1 s PHE 60 Cb -0.21 0.29 -0.02 0.00 -0.63 0.00 0.00 43.02 42.45 1wk1 s PHE 60 CO 0.17 -0.48 0.90 0.21 -0.05 0.00 0.00 175.22 175.97 1wk1 s LYS 61 N -0.77 4.45 0.70 1.99 2.20 -0.17 -0.51 119.74 127.62 1wk1 s LYS 61 Ca -0.08 1.22 -0.07 0.00 -0.36 0.00 0.00 55.97 56.68 1wk1 s LYS 61 Cb -0.02 -3.50 0.15 0.00 -1.51 0.00 0.00 37.83 32.95 1wk1 s LYS 61 CO 0.06 -0.15 0.95 -1.71 -0.36 0.00 0.00 175.35 174.14 1wk1 n ASN 62 N 4.42 0.57 -0.04 1.43 2.85 -0.09 -4.79 115.26 119.61 1wk1 n ASN 62 Ca 0.05 -1.65 -0.11 0.00 -0.11 0.00 0.00 54.58 52.76 1wk1 n ASN 62 Cb 0.50 -0.68 -0.05 0.00 1.24 0.00 0.00 39.78 40.79 1wk1 n ASN 62 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1wk1 h SER 63 N -0.97 0.22 -0.69 1.20 0.02 -1.97 -2.98 113.55 108.38 1wk1 h SER 63 Ca -0.31 -0.15 0.15 0.00 -0.84 0.00 0.00 61.79 60.64 1wk1 h SER 63 Cb 0.98 -0.06 -0.12 0.00 0.14 0.00 0.00 62.40 63.34 1wk1 h SER 63 CO 0.27 0.31 -0.01 -2.24 -1.14 0.00 0.00 176.83 174.01 1wk1 h ASP 64 N 0.12 -0.34 0.00 3.07 3.04 -2.03 -3.45 116.42 116.82 1wk1 h ASP 64 Ca 0.05 0.18 0.00 0.00 -3.24 0.00 0.00 57.03 54.02 1wk1 h ASP 64 Cb 0.15 0.32 0.00 0.00 -1.04 0.00 0.00 39.33 38.76 1wk1 h ASP 64 CO -0.01 -0.16 0.00 0.61 -2.04 0.00 0.00 179.24 177.65 1wk1 n GLY 65 N -1.40 -0.09 3.73 7.15 0.00 -1.12 -5.14 105.19 108.31 1wk1 n GLY 65 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 2.69 -0.12 1.61 -0.21 -1.26 -4.84 119.66 117.52 1wk1 s GLN 66 Ca 0.00 -0.91 -0.23 0.00 0.02 0.00 0.00 55.36 54.24 1wk1 s GLN 66 Cb 0.00 -2.55 -0.03 0.00 1.00 0.00 0.00 33.01 31.43 1wk1 s GLN 66 CO 0.00 0.50 0.70 -0.06 -2.12 0.00 0.00 175.29 174.30 1wk1 s PHE 67 N -1.61 3.50 0.37 0.91 0.08 -1.26 -0.91 117.98 119.06 1wk1 s PHE 67 Ca 0.29 1.16 0.01 0.00 0.12 0.00 0.00 56.93 58.51 1wk1 s PHE 67 Cb -0.10 -2.83 0.01 0.00 -0.57 0.00 0.00 43.02 39.53 1wk1 s PHE 67 CO 0.21 -0.03 0.12 0.66 -0.10 0.00 0.00 175.22 176.08 1wk1 n TYR 68 N 4.32 0.11 -5.22 0.36 4.02 0.34 -1.43 117.16 119.66 1wk1 n TYR 68 Ca -0.01 -1.70 -0.31 0.00 -0.01 0.00 0.00 57.90 55.88 1wk1 n TYR 68 Cb 0.50 -0.27 -0.16 0.00 -0.02 0.00 0.00 39.34 39.39 1wk1 n TYR 68 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1wk1 s TRP 69 N -2.12 2.33 0.01 -0.72 0.52 0.45 -2.21 118.94 117.20 1wk1 s TRP 69 Ca 0.09 -0.66 -0.30 0.00 0.02 0.00 0.00 56.10 55.25 1wk1 s TRP 69 Cb -0.01 -1.53 -0.04 0.00 -1.15 0.00 0.00 33.47 30.74 1wk1 s TRP 69 CO 0.06 -0.19 1.19 0.34 0.02 0.00 0.00 176.95 178.37 1wk1 s ASP 70 N -0.20 7.08 -0.09 2.95 2.15 0.63 -1.80 116.67 127.38 1wk1 s ASP 70 Ca -0.02 1.91 0.13 0.00 0.43 0.00 0.00 52.55 55.01 1wk1 s ASP 70 Cb -0.13 -2.57 0.20 0.00 -0.30 0.00 0.00 42.92 40.13 1wk1 s ASP 70 CO 0.03 -0.51 1.10 0.54 -0.17 0.00 0.00 175.17 176.15 1wk1 n ARG 71 N 4.52 1.06 0.00 4.34 5.12 -1.26 -4.68 116.66 125.76 1wk1 n ARG 71 Ca 0.10 -2.12 0.00 0.00 -1.93 0.00 0.00 57.85 53.89 1wk1 n ARG 71 Cb 0.46 -1.23 0.00 0.00 -1.16 0.00 0.00 32.46 30.54 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 -1.04 0.00 3.67 -0.13 0.00 -1.26 -4.72 105.19 101.72 1wk1 n GLY 72 Ca 0.11 -2.29 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.82 4.33 0.00 1.61 -0.44 -1.26 -3.80 119.66 119.28 1wk1 s GLN 73 Ca 0.00 1.31 0.00 0.00 -2.50 0.00 0.00 55.36 54.17 1wk1 s GLN 73 Cb 0.00 -3.59 0.00 0.00 -1.64 0.00 0.00 33.01 27.78 1wk1 s GLN 73 CO 0.00 -0.45 0.00 0.41 0.50 0.00 0.00 175.29 175.75 1wk1 n GLY 74 N 3.26 1.61 3.61 2.59 0.00 -1.26 -4.97 105.19 110.04 1wk1 n GLY 74 Ca 0.09 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 2.30 -2.07 -0.61 2.08 -1.25 -4.87 119.36 114.94 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 -1.17 -0.03 0.00 -0.75 0.00 0.00 39.64 37.69 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 -0.66 6.71 1.01 4.38 0.01 -1.26 -4.69 114.94 120.44 1wk1 s ASN 76 Ca 0.61 2.18 -0.12 0.00 -0.71 0.00 0.00 52.86 54.82 1wk1 s ASN 76 Cb -0.58 -2.54 0.19 0.00 0.41 0.00 0.00 41.25 38.73 1wk1 s ASN 76 CO 0.58 -0.88 1.09 -2.16 -1.51 0.00 0.00 177.10 174.22 1wk1 s PRO 77 N 3.66 0.34 -0.16 -0.60 0.04 -1.26 -4.73 135.00 132.29 1wk1 s PRO 77 Ca 0.70 0.50 -0.03 0.00 0.04 0.00 0.00 61.00 62.21 1wk1 s PRO 77 Cb -0.32 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1wk1 s PRO 77 CO 0.28 -2.79 -0.06 0.34 0.04 0.00 0.00 177.00 174.81 1wk1 s ASP 78 N -3.45 4.55 0.10 6.66 2.15 -0.75 -4.82 116.67 121.12 1wk1 s ASP 78 Ca 0.65 -0.21 -0.30 0.00 0.43 0.00 0.00 52.55 53.12 1wk1 s ASP 78 Cb -0.19 -1.74 -0.06 0.00 -0.30 0.00 0.00 42.92 40.63 1wk1 s ASP 78 CO 0.58 0.14 1.17 -0.22 -0.17 0.00 0.00 175.17 176.67 1wk1 s LEU 79 N 0.51 4.41 -0.73 -1.34 1.98 -1.26 0.17 118.68 122.42 1wk1 s LEU 79 Ca -0.05 2.06 -0.26 0.00 -2.89 0.00 0.00 54.13 53.00 1wk1 s LEU 79 Cb -0.15 -3.59 -0.07 0.00 0.66 0.00 0.00 46.19 43.05 1wk1 s LEU 79 CO 0.03 -0.40 2.12 -0.22 -1.89 0.00 0.00 176.35 175.99 1wk1 s LEU 80 N 0.55 3.16 -0.22 -0.68 2.96 -0.52 -4.72 118.68 119.21 1wk1 s LEU 80 Ca 0.56 0.06 0.13 0.00 -0.22 0.00 0.00 54.13 54.65 1wk1 s LEU 80 Cb -0.30 -2.54 0.45 0.00 0.50 0.00 0.00 46.19 44.30 1wk1 s LEU 80 CO 0.32 -2.96 1.19 -0.46 -1.32 0.00 0.00 176.35 173.11 1wk1 n ASN 81 N 15.19 2.86 -4.89 3.68 6.94 -1.26 -4.95 115.26 132.82 1wk1 n ASN 81 Ca 0.36 -3.37 -0.34 0.00 -0.02 0.00 0.00 54.58 51.21 1wk1 n ASN 81 Cb 0.49 -0.42 -0.05 0.00 -2.36 0.00 0.00 39.78 37.43 1wk1 n ASN 81 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wk1 s GLN 82 N -3.06 3.51 0.35 -3.83 -2.07 -1.26 -5.00 119.66 108.29 1wk1 s GLN 82 Ca 0.41 -0.18 0.14 0.00 -1.82 0.00 0.00 55.36 53.92 1wk1 s GLN 82 Cb 0.38 -3.10 0.65 0.00 -1.09 0.00 0.00 33.01 29.85 1wk1 s GLN 82 CO -0.04 0.68 1.76 -1.00 -1.32 0.00 0.00 175.29 175.37 1wk1 h PRO 83 N 4.08 0.00 -5.72 9.60 0.13 -2.03 -3.42 132.00 134.64 1wk1 h PRO 83 Ca -0.50 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.05 1wk1 h PRO 83 Cb 1.20 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 1wk1 h PRO 83 CO 0.66 0.43 -0.17 0.42 -0.23 0.00 0.00 178.00 179.11 1wk1 s ILE 84 N -3.89 5.19 0.13 -3.56 1.01 -1.26 -5.07 121.20 113.75 1wk1 s ILE 84 Ca -0.02 0.88 -0.04 0.00 0.00 0.00 0.00 60.65 61.47 1wk1 s ILE 84 Cb 0.13 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 1wk1 s ILE 84 CO 0.72 0.36 0.13 0.42 0.00 0.00 0.00 174.94 176.57 1wk1 s THR 85 N 0.47 0.11 -0.09 2.92 -4.23 -1.26 -4.98 115.64 108.58 1wk1 s THR 85 Ca 0.24 -1.66 0.14 0.00 -1.18 0.00 0.00 61.69 59.22 1wk1 s THR 85 Cb -0.15 -1.85 0.21 0.00 1.34 0.00 0.00 72.50 72.04 1wk1 s THR 85 CO 0.09 -0.49 1.09 -1.22 -0.54 0.00 0.00 174.62 173.56 1wk1 n TYR 86 N -0.11 0.00 -1.54 3.99 4.01 -1.26 -5.01 117.16 117.24 1wk1 n TYR 86 Ca -0.08 -0.78 -0.56 0.00 -0.16 0.00 0.00 57.90 56.32 1wk1 n TYR 86 Cb 0.63 -0.12 -0.07 0.00 -0.31 0.00 0.00 39.34 39.47 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 -1.10 1.01 -0.67 -0.72 5.03 -1.25 -2.58 117.44 117.16 1wk1 n TRP 87 Ca 0.11 0.87 -0.16 0.00 3.03 0.00 0.00 57.50 61.36 1wk1 n TRP 87 Cb 0.59 -2.20 0.13 0.00 -1.03 0.00 0.00 31.31 28.81 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 1.91 -1.95 -1.66 6.99 0.00 -0.37 -4.54 120.51 120.89 1wk1 n ALA 88 Ca 0.19 -0.84 -0.42 0.00 0.00 0.00 0.00 53.44 52.37 1wk1 n ALA 88 Cb 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 1wk1 n ALA 88 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wk1 s ASN 89 N -2.96 6.34 0.00 0.00 3.84 -1.26 -0.88 114.94 120.01 1wk1 s ASN 89 Ca 0.37 2.60 0.00 0.00 0.21 0.00 0.00 52.86 56.03 1wk1 s ASN 89 Cb -0.04 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 1wk1 s ASN 89 CO 0.28 -1.16 0.00 0.61 -2.79 0.00 0.00 177.10 174.05 1wk1 n GLY 90 N 4.68 0.28 3.89 1.21 0.00 -1.26 -4.95 105.19 109.04 1wk1 n GLY 90 Ca 0.21 0.00 -0.30 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 -0.89 3.71 0.43 1.61 0.41 -0.06 -3.80 118.70 120.11 1wk1 s GLU 91 Ca 0.00 0.16 -0.24 0.00 -0.41 0.00 0.00 54.97 54.48 1wk1 s GLU 91 Cb 0.00 -2.62 -0.08 0.00 -1.78 0.00 0.00 34.13 29.65 1wk1 s GLU 91 CO 0.00 0.22 1.18 -1.25 -0.49 0.00 0.00 175.26 174.92 1wk1 s PRO 92 N -3.30 3.92 0.43 0.39 0.04 -1.26 -4.61 135.00 130.60 1wk1 s PRO 92 Ca 0.46 1.84 -0.25 0.00 0.04 0.00 0.00 61.00 63.09 1wk1 s PRO 92 Cb -0.11 -2.57 -0.08 0.00 0.04 0.00 0.00 34.50 31.78 1wk1 s PRO 92 CO 0.27 -0.43 1.30 0.45 0.04 0.00 0.00 177.00 178.62 1wk1 s SER 93 N -1.20 6.15 -0.18 6.66 0.15 -1.25 -4.89 113.70 119.14 1wk1 s SER 93 Ca 0.60 2.63 0.00 0.00 0.70 0.00 0.00 55.95 59.88 1wk1 s SER 93 Cb -0.30 -2.63 0.16 0.00 -1.71 0.00 0.00 66.02 61.53 1wk1 s SER 93 CO 0.38 -0.96 1.76 -0.46 1.20 0.00 0.00 173.24 175.16 1wk1 n ASN 94 N -0.10 5.11 -4.70 5.45 6.94 -1.26 -4.89 115.26 121.81 1wk1 n ASN 94 Ca 0.05 -2.72 -0.38 0.00 -0.02 0.00 0.00 54.58 51.51 1wk1 n ASN 94 Cb 0.44 -0.92 -0.06 0.00 -2.36 0.00 0.00 39.78 36.88 1wk1 n ASN 94 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1wk1 s ASP 95 N 0.64 6.64 0.36 0.53 1.01 -1.26 -4.97 116.67 119.62 1wk1 s ASP 95 Ca 0.19 0.76 0.15 0.00 0.71 0.00 0.00 52.55 54.36 1wk1 s ASP 95 Cb 0.15 -2.29 0.68 0.00 1.01 0.00 0.00 42.92 42.47 1wk1 s ASP 95 CO 0.01 -0.05 1.77 1.55 0.21 0.00 0.00 175.17 178.65 1wk1 h PRO 96 N 6.96 0.00 -0.01 8.23 0.13 -2.05 -3.06 132.00 142.19 1wk1 h PRO 96 Ca -0.39 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.52 1wk1 h PRO 96 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1wk1 h PRO 96 CO 0.75 0.42 -0.91 1.79 -0.23 0.00 0.00 178.00 179.82 1wk1 h THR 97 N 0.00 1.39 -3.50 1.56 1.35 -1.99 -3.42 112.91 108.30 1wk1 h THR 97 Ca -0.00 -2.39 -0.61 0.00 -0.55 0.00 0.00 66.41 62.85 1wk1 h THR 97 Cb 0.81 2.36 -0.12 0.00 -1.73 0.00 0.00 68.15 69.47 1wk1 h THR 97 CO 0.05 0.72 0.22 -0.13 -0.25 0.00 0.00 175.52 176.13 1wk1 s ARG 98 N -3.33 3.94 0.00 4.72 0.52 -1.16 -4.10 118.95 119.54 1wk1 s ARG 98 Ca -0.06 0.40 0.00 0.00 -0.52 0.00 0.00 55.73 55.56 1wk1 s ARG 98 Cb 0.09 -3.72 0.00 0.00 0.52 0.00 0.00 34.95 31.84 1wk1 s ARG 98 CO 0.86 -0.59 0.00 1.04 0.02 0.00 0.00 175.30 176.64 1wk1 n GLN 99 N 5.96 0.43 -2.55 3.54 6.02 -1.17 -4.68 117.38 124.93 1wk1 n GLN 99 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 1wk1 n GLN 99 Cb 0.49 -0.90 -0.03 0.00 1.02 0.00 0.00 30.24 30.82 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 -2.57 2.10 0.08 0.00 1.01 -1.11 -0.28 120.40 119.64 1wk1 s VAL 101 Ca 0.55 -1.22 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1wk1 s VAL 101 Cb -0.10 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1wk1 s VAL 101 CO 0.33 0.50 -0.18 -0.72 0.00 0.00 0.00 175.10 175.03 1wk1 s TYR 102 N -0.69 1.51 -0.63 5.22 1.13 -0.64 -3.60 117.35 119.64 1wk1 s TYR 102 Ca 0.11 -0.43 -0.28 0.00 -1.41 0.00 0.00 57.07 55.06 1wk1 s TYR 102 Cb -0.10 -0.84 0.03 0.00 -1.10 0.00 0.00 41.96 39.94 1wk1 s TYR 102 CO 0.00 0.12 1.29 0.12 -2.51 0.00 0.00 175.55 174.57 1wk1 s PHE 103 N -1.16 2.40 -1.13 -3.49 5.36 0.10 -3.01 117.98 117.06 1wk1 s PHE 103 Ca 0.03 0.28 -0.21 0.00 -0.96 0.00 0.00 56.93 56.06 1wk1 s PHE 103 Cb -0.10 -4.52 0.05 0.00 -0.34 0.00 0.00 43.02 38.11 1wk1 s PHE 103 CO 0.03 -1.86 1.61 0.34 -1.46 0.00 0.00 175.22 173.88 1wk1 s ASP 104 N 3.68 6.51 0.34 6.13 -1.08 -0.27 -2.89 116.67 129.08 1wk1 s ASP 104 Ca 0.43 -1.81 0.03 0.00 -0.52 0.00 0.00 52.55 50.68 1wk1 s ASP 104 Cb -0.08 -2.57 0.60 0.00 -1.46 0.00 0.00 42.92 39.40 1wk1 s ASP 104 CO 0.22 -1.50 1.91 1.23 0.52 0.00 0.00 175.17 177.55 1wk1 h GLY 105 N 13.16 0.70 0.65 2.66 0.00 -1.69 -2.65 103.07 115.89 1wk1 h GLY 105 Ca 0.29 -0.36 0.08 0.00 0.00 0.00 0.00 47.33 47.34 1wk1 h GLY 105 CO 1.42 0.34 0.53 3.21 0.00 0.00 0.00 176.54 182.04 1wk1 h ARG 106 N 0.64 0.90 -5.22 4.80 3.08 -1.74 -3.38 114.38 113.45 1wk1 h ARG 106 Ca 0.15 -0.05 -0.49 0.00 0.07 0.00 0.00 59.98 59.65 1wk1 h ARG 106 Cb 0.19 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 29.98 1wk1 h ARG 106 CO -0.01 0.59 1.71 0.45 -1.07 0.00 0.00 179.97 181.65 1wk1 n SER 107 N -4.65 0.97 -0.38 7.04 2.88 -1.00 -4.72 113.62 113.75 1wk1 n SER 107 Ca 0.13 -0.03 0.34 0.00 -1.33 0.00 0.00 58.87 57.98 1wk1 n SER 107 Cb 0.22 -1.14 0.59 0.00 -0.75 0.00 0.00 64.21 63.13 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 6.36 -0.74 3.55 0.46 0.00 -1.26 -3.80 105.19 109.76 1wk1 n GLY 108 Ca 0.56 0.71 -0.42 0.00 0.00 0.00 0.00 46.02 46.88 1wk1 n GLY 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wk1 s ASP 109 N -4.39 6.37 0.54 1.61 1.01 -1.26 -4.92 116.67 115.63 1wk1 s ASP 109 Ca -0.07 -0.03 0.30 0.00 0.71 0.00 0.00 52.55 53.45 1wk1 s ASP 109 Cb 0.29 -2.31 1.54 0.00 1.01 0.00 0.00 42.92 43.45 1wk1 s ASP 109 CO 0.74 -0.62 2.09 0.07 0.21 0.00 0.00 175.17 177.66 1wk1 h LYS 110 N 8.58 0.00 0.00 8.23 2.10 -1.94 -1.24 116.57 132.31 1wk1 h LYS 110 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1wk1 h LYS 110 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1wk1 h LYS 110 CO 0.84 0.09 0.00 -1.13 -2.00 0.00 0.00 179.45 177.25 1wk1 n SER 111 N -3.54 0.04 -2.31 7.07 3.41 -1.26 -2.98 113.62 114.04 1wk1 n SER 111 Ca -0.02 0.51 -0.18 0.00 -0.26 0.00 0.00 58.87 58.92 1wk1 n SER 111 Cb 0.23 -0.52 0.02 0.00 -0.26 0.00 0.00 64.21 63.68 1wk1 n SER 111 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wk1 n LYS 112 N -1.54 3.03 -0.02 4.33 5.02 -0.47 -3.92 118.16 124.59 1wk1 n LYS 112 Ca 0.04 -4.02 -0.08 0.00 -2.02 0.00 0.00 58.31 52.23 1wk1 n LYS 112 Cb 0.22 -2.07 -0.13 0.00 -0.02 0.00 0.00 35.03 33.03 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 3.04 0.83 -1.80 -0.18 -1.51 -1.43 -3.40 116.25 111.79 1wk1 h VAL 113 Ca 0.22 -2.65 -0.47 0.00 -1.23 0.00 0.00 66.70 62.57 1wk1 h VAL 113 Cb 1.36 2.39 -0.03 0.00 -2.13 0.00 0.00 31.29 32.88 1wk1 h VAL 113 CO 0.63 0.47 1.30 0.26 -1.23 0.00 0.00 177.57 179.00 1wk1 s TRP 114 N -2.63 1.62 -0.03 5.19 0.52 -1.07 -1.11 118.94 121.44 1wk1 s TRP 114 Ca -0.04 0.84 0.07 0.00 0.02 0.00 0.00 56.10 56.99 1wk1 s TRP 114 Cb 0.08 -4.04 -0.02 0.00 -1.15 0.00 0.00 33.47 28.34 1wk1 s TRP 114 CO 0.82 -2.26 -0.24 0.99 0.02 0.00 0.00 176.95 176.28 1wk1 s THR 115 N 9.49 1.93 0.19 2.01 2.01 -1.16 -1.23 115.64 128.87 1wk1 s THR 115 Ca 0.70 -1.04 -0.15 0.00 0.31 0.00 0.00 61.69 61.52 1wk1 s THR 115 Cb -0.12 -1.61 -0.07 0.00 0.01 0.00 0.00 72.50 70.70 1wk1 s THR 115 CO 0.19 0.55 0.60 0.42 -0.69 0.00 0.00 174.62 175.68 1wk1 s THR 116 N -0.48 4.80 0.02 -0.82 -4.23 -1.26 -1.62 115.64 112.04 1wk1 s THR 116 Ca 0.07 0.87 -0.28 0.00 -1.18 0.00 0.00 61.69 61.17 1wk1 s THR 116 Cb -0.10 -3.73 0.10 0.00 1.34 0.00 0.00 72.50 70.11 1wk1 s THR 116 CO -0.00 0.15 0.84 -1.81 -0.54 0.00 0.00 174.62 173.26 1wk1 s ASP 117 N -1.85 -0.40 0.80 3.99 1.01 0.62 -4.94 116.67 115.90 1wk1 s ASP 117 Ca 0.42 0.01 -0.14 0.00 0.71 0.00 0.00 52.55 53.54 1wk1 s ASP 117 Cb -0.14 0.42 0.02 0.00 1.01 0.00 0.00 42.92 44.23 1wk1 s ASP 117 CO 0.20 -0.67 0.76 1.07 0.21 0.00 0.00 175.17 176.74 1wk1 n THR 118 N -0.24 1.53 -0.76 -1.27 5.66 -1.26 -2.25 114.28 115.70 1wk1 n THR 118 Ca -0.10 -0.28 -0.15 0.00 -3.05 0.00 0.00 64.05 60.47 1wk1 n THR 118 Cb 0.62 -0.90 0.18 0.00 -1.55 0.00 0.00 70.33 68.68 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 -0.60 2.02 -2.64 0.00 0.00 -1.26 -3.59 120.51 114.44 1wk1 n ALA 120 Ca 0.44 -0.94 -0.39 0.00 0.00 0.00 0.00 53.44 52.55 1wk1 n ALA 120 Cb 1.38 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.75 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 -0.89 5.16 -0.54 0.00 2.01 -1.25 -4.87 115.64 115.26 1wk1 s THR 121 Ca 0.00 0.72 -0.27 0.00 0.31 0.00 0.00 61.69 62.45 1wk1 s THR 121 Cb 0.00 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 1wk1 s THR 121 CO 0.00 0.18 1.82 -2.16 -0.69 0.00 0.00 174.62 173.77 1wk1 s PRO 122 N 1.77 2.83 0.07 4.92 0.04 -1.26 -3.96 135.00 139.42 1wk1 s PRO 122 Ca 0.19 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1wk1 s PRO 122 Cb -0.15 -4.33 -0.04 0.00 0.04 0.00 0.00 34.50 30.02 1wk1 s PRO 122 CO 0.09 -2.48 -0.04 1.03 0.04 0.00 0.00 177.00 175.64 1wk1 s ARG 123 N 6.62 0.72 0.92 4.56 0.52 -1.20 -4.57 118.95 126.52 1wk1 s ARG 123 Ca 0.69 -1.28 -0.12 0.00 -0.52 0.00 0.00 55.73 54.50 1wk1 s ARG 123 Cb -0.15 0.05 0.15 0.00 0.52 0.00 0.00 34.95 35.52 1wk1 s ARG 123 CO 0.24 -0.09 1.09 -1.25 0.02 0.00 0.00 175.30 175.32 1wk1 s PRO 124 N -3.90 1.03 0.33 3.54 0.04 -1.26 -0.92 135.00 133.87 1wk1 s PRO 124 Ca 0.10 0.74 -0.05 0.00 0.04 0.00 0.00 61.00 61.83 1wk1 s PRO 124 Cb 0.07 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.83 1wk1 s PRO 124 CO -0.07 -2.38 0.50 -0.59 0.04 0.00 0.00 177.00 174.50 1wk1 s PHE 125 N -2.94 0.91 -0.08 0.56 -0.71 -1.26 -0.04 117.98 114.43 1wk1 s PHE 125 Ca 0.64 -1.19 0.00 0.00 -1.04 0.00 0.00 56.93 55.34 1wk1 s PHE 125 Cb -0.18 0.02 0.02 0.00 -1.21 0.00 0.00 43.02 41.67 1wk1 s PHE 125 CO 0.57 -1.15 -0.06 0.42 -1.34 0.00 0.00 175.22 173.66 1wk1 s ILE 126 N -3.11 0.81 0.15 -4.49 1.01 -1.26 -2.63 121.20 111.67 1wk1 s ILE 126 Ca 0.28 -0.22 -0.09 0.00 0.00 0.00 0.00 60.65 60.63 1wk1 s ILE 126 Cb -0.01 -0.82 -0.06 0.00 0.01 0.00 0.00 42.46 41.58 1wk1 s ILE 126 CO 0.18 0.31 0.45 0.00 0.00 0.00 0.00 174.94 175.88 1wk1 s GLN 128 N -2.39 0.44 0.29 0.00 0.74 0.29 -0.94 119.66 118.09 1wk1 s GLN 128 Ca 0.40 -0.84 -0.18 0.00 0.05 0.00 0.00 55.36 54.79 1wk1 s GLN 128 Cb -0.13 0.15 -0.09 0.00 1.10 0.00 0.00 33.01 34.05 1wk1 s GLN 128 CO 0.21 -0.08 0.76 0.15 -0.55 0.00 0.00 175.29 175.78 1wk1 s LYS 129 N -2.44 4.15 0.44 1.67 1.02 -1.26 -0.14 119.74 123.18 1wk1 s LYS 129 Ca -0.07 0.82 0.06 0.00 0.02 0.00 0.00 55.97 56.80 1wk1 s LYS 129 Cb -0.03 -2.60 -0.05 0.00 -0.52 0.00 0.00 37.83 34.64 1wk1 s LYS 129 CO -0.05 0.23 0.12 -3.38 -0.92 0.00 0.00 175.35 171.36 1wk1 s HIS 130 N -1.81 2.38 0.05 3.18 -3.43 -1.26 -4.94 115.29 109.46 1wk1 s HIS 130 Ca 0.50 -0.69 0.00 0.00 -0.80 0.00 0.00 55.06 54.07 1wk1 s HIS 130 Cb -0.13 -1.84 0.00 0.00 -1.43 0.00 0.00 32.58 29.18 1wk1 s HIS 130 CO 0.19 0.22 0.00 0.54 -2.00 0.00 0.00 174.74 173.69 1wk1 n ARG 131 N -1.20 0.00 -1.25 -0.38 3.00 -1.26 -5.03 116.66 110.54 1wk1 n ARG 131 Ca -0.05 0.00 -0.53 0.00 -0.01 0.00 0.00 57.85 57.26 1wk1 n ARG 131 Cb 0.66 -0.14 -0.09 0.00 0.00 0.00 0.00 32.46 32.88 1wk1 n ARG 131 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 1wk1 n TYR 132 N -2.85 1.22 -4.27 -1.55 9.36 -1.26 -4.91 117.16 112.89 1wk1 n TYR 132 Ca 0.00 0.80 -0.20 0.00 3.32 0.00 0.00 57.90 61.82 1wk1 n TYR 132 Cb 0.00 -1.85 -0.11 0.00 -0.63 0.00 0.00 39.34 36.74 1wk1 n TYR 132 CO 0.00 0.00 0.00 0.16 0.22 0.00 0.00 176.86 177.24 1wk1 s ASP 133 N 3.59 2.30 0.69 2.98 -4.77 -1.26 -5.15 116.67 115.05 1wk1 s ASP 133 Ca 0.92 -0.78 -0.11 0.00 -3.30 0.00 0.00 52.55 49.27 1wk1 s ASP 133 Cb -1.23 -0.11 0.00 0.00 -1.09 0.00 0.00 42.92 40.49 1wk1 s ASP 133 CO 0.61 -0.06 1.08 -0.44 0.70 0.00 0.00 175.17 177.06 1wk1 s SER 134 N -2.34 5.60 -0.12 2.11 0.01 -1.26 -5.03 113.70 112.67 1wk1 s SER 134 Ca 0.10 1.25 -0.09 0.00 1.31 0.00 0.00 55.95 58.52 1wk1 s SER 134 Cb -0.07 -2.12 -0.08 0.00 0.21 0.00 0.00 66.02 63.97 1wk1 s SER 134 CO 0.04 -1.26 0.19 -0.78 0.41 0.00 0.00 173.24 171.85 1wk1 h ASP 135 N -0.59 0.00 -0.99 2.44 1.82 -2.04 -3.48 116.42 113.58 1wk1 h ASP 135 Ca -0.45 -0.27 -0.52 0.00 -0.39 0.00 0.00 57.03 55.40 1wk1 h ASP 135 Cb 1.23 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.23 1wk1 h ASP 135 CO 0.63 0.68 -0.27 -1.38 -1.61 0.00 0.00 179.24 177.29 1wk1 s HIS 136 N -1.81 2.00 -0.17 0.28 -3.43 -1.26 -5.13 115.29 105.77 1wk1 s HIS 136 Ca -0.07 -0.67 -0.04 0.00 -0.80 0.00 0.00 55.06 53.48 1wk1 s HIS 136 Cb -0.00 -2.11 0.07 0.00 -1.43 0.00 0.00 32.58 29.11 1wk1 s HIS 136 CO 0.22 -0.54 0.17 0.21 -2.00 0.00 0.00 174.74 172.79 1wk1 s LYS 137 N -4.34 0.12 -0.45 -0.38 2.20 -1.26 -5.11 119.74 110.51 1wk1 s LYS 137 Ca 0.48 0.20 -0.28 0.00 -0.36 0.00 0.00 55.97 56.01 1wk1 s LYS 137 Cb -0.04 -1.17 -0.02 0.00 -1.51 0.00 0.00 37.83 35.09 1wk1 s LYS 137 CO 0.29 -0.58 1.77 -1.25 -0.36 0.00 0.00 175.35 175.21 1wk1 s PRO 138 N 2.27 3.09 0.08 4.03 0.04 -1.26 -4.97 135.00 138.28 1wk1 s PRO 138 Ca 0.05 1.03 -0.31 0.00 0.04 0.00 0.00 61.00 61.81 1wk1 s PRO 138 Cb -0.15 -4.25 -0.06 0.00 0.04 0.00 0.00 34.50 30.08 1wk1 s PRO 138 CO -0.10 -2.16 1.21 -0.80 0.04 0.00 0.00 177.00 175.18 1wk1 s ASN 139 N 6.57 7.07 -0.01 6.66 0.01 -1.26 -5.03 114.94 128.95 1wk1 s ASN 139 Ca 0.72 2.06 -0.15 0.00 -0.71 0.00 0.00 52.86 54.77 1wk1 s ASN 139 Cb -0.17 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 38.93 1wk1 s ASN 139 CO 0.28 -0.46 0.32 -0.89 -1.51 0.00 0.00 177.10 174.84 1wk1 s THR 140 N 0.91 0.06 0.02 1.60 2.01 -1.26 -5.14 115.64 113.84 1wk1 s THR 140 Ca 0.58 -0.47 -0.30 0.00 0.31 0.00 0.00 61.69 61.81 1wk1 s THR 140 Cb -0.30 -0.65 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 1wk1 s THR 140 CO 0.30 -0.26 1.29 -0.51 -0.69 0.00 0.00 174.62 174.75 1wk1 s ILE 141 N -1.39 3.89 0.00 1.82 1.10 -1.26 -4.95 121.20 120.41 1wk1 s ILE 141 Ca -0.13 1.30 0.00 0.00 -0.51 0.00 0.00 60.65 61.31 1wk1 s ILE 141 Cb -0.05 -3.84 0.00 0.00 0.15 0.00 0.00 42.46 38.72 1wk1 s ILE 141 CO 0.04 0.04 0.00 0.61 -2.11 0.00 0.00 174.94 173.52 1wk1 n GLY 142 N 3.43 0.18 3.64 1.50 0.00 -1.26 -5.18 105.19 107.51 1wk1 n GLY 142 Ca 0.11 0.69 -0.05 0.00 0.00 0.00 0.00 46.02 46.77 1wk1 n GLY 142 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wk1 s ASP 143 N 0.00 -0.21 0.31 1.61 2.15 -1.26 -5.19 116.67 114.08 1wk1 s ASP 143 Ca 0.00 0.40 -0.07 0.00 0.43 0.00 0.00 52.55 53.31 1wk1 s ASP 143 Cb 0.00 0.48 0.00 0.00 -0.30 0.00 0.00 42.92 43.10 1wk1 s ASP 143 CO 0.00 -0.07 0.49 0.00 -0.17 0.00 0.00 175.17 175.42 1wk1 s ALA 144 N 0.22 0.36 0.14 3.66 0.00 -1.26 -5.19 121.76 119.69 1wk1 s ALA 144 Ca 0.04 -1.27 -0.20 0.00 0.00 0.00 0.00 51.96 50.53 1wk1 s ALA 144 Cb -0.05 1.09 0.06 0.00 0.00 0.00 0.00 23.12 24.22 1wk1 s ALA 144 CO -0.12 -0.82 0.52 0.45 0.00 0.00 0.00 175.76 175.79 1wk1 s SER 145 N -3.16 -0.43 0.35 0.00 0.15 -1.26 -5.19 113.70 104.17 1wk1 s SER 145 Ca 0.27 -0.11 -0.11 0.00 0.70 0.00 0.00 55.95 56.70 1wk1 s SER 145 Cb -0.01 0.54 0.03 0.00 -1.71 0.00 0.00 66.02 64.88 1wk1 s SER 145 CO 0.16 -0.91 0.64 -0.83 1.20 0.00 0.00 173.24 173.50 1wk1 s GLY 146 N -2.71 0.78 0.48 9.45 0.00 -1.26 -5.16 107.32 108.89 1wk1 s GLY 146 Ca 0.01 -1.02 -0.22 0.00 0.00 0.00 0.00 44.72 43.49 1wk1 s GLY 146 CO -0.12 -0.58 1.16 2.56 0.00 0.00 0.00 173.10 176.12 1wk1 s PRO 147 N -2.84 3.67 -0.16 2.90 0.04 -1.26 -5.05 135.00 132.30 1wk1 s PRO 147 Ca 0.21 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 62.71 1wk1 s PRO 147 Cb -0.03 -2.32 0.07 0.00 0.04 0.00 0.00 34.50 32.26 1wk1 s PRO 147 CO 0.14 -0.61 0.72 -1.12 0.04 0.00 0.00 177.00 176.17 1wk1 s SER 148 N -1.45 -0.68 0.08 6.66 0.01 -1.26 -5.17 113.70 111.88 1wk1 s SER 148 Ca 0.65 1.04 0.08 0.00 1.31 0.00 0.00 55.95 59.04 1wk1 s SER 148 Cb -0.28 0.96 -0.03 0.00 0.21 0.00 0.00 66.02 66.89 1wk1 s SER 148 CO 0.33 -0.42 -0.22 -0.44 0.41 0.00 0.00 173.24 172.89 1wk1 s SER 149 N -0.43 2.70 0.00 2.44 0.01 -1.26 -5.36 113.70 111.81 1wk1 s SER 149 Ca -0.05 -0.62 0.06 0.00 1.31 0.00 0.00 55.95 56.65 1wk1 s SER 149 Cb -0.02 -0.19 0.04 0.00 0.21 0.00 0.00 66.02 66.06 1wk1 s SER 149 CO 0.05 0.14 0.68 0.61 0.41 0.00 0.00 173.24 175.13