#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dpt s PHE 2 N 0.00 2.76 -0.11 6.00 0.40 0.56 -0.96 117.98 126.63 1dpt s PHE 2 Ca 0.00 -1.08 0.03 0.00 -0.60 0.00 0.00 56.93 55.28 1dpt s PHE 2 Cb 0.00 -1.87 0.01 0.00 0.51 0.00 0.00 43.02 41.67 1dpt s PHE 2 CO 0.00 -0.49 -0.21 -0.51 0.70 0.00 0.00 175.22 174.71 1dpt s LEU 3 N 0.78 2.00 -0.10 -0.37 1.02 0.87 -0.87 118.68 122.01 1dpt s LEU 3 Ca -0.06 -0.52 0.02 0.00 0.02 0.00 0.00 54.13 53.59 1dpt s LEU 3 Cb -0.15 -1.31 0.01 0.00 0.02 0.00 0.00 46.19 44.76 1dpt s LEU 3 CO 0.00 0.11 -0.17 -1.61 0.02 0.00 0.00 176.35 174.70 1dpt s GLU 4 N 0.56 2.33 -0.15 1.70 2.02 -0.37 -0.33 118.70 124.46 1dpt s GLU 4 Ca -0.14 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.23 1dpt s GLU 4 Cb -0.17 -1.90 0.02 0.00 0.10 0.00 0.00 34.13 32.19 1dpt s GLU 4 CO 0.05 0.02 -0.14 -1.17 0.02 0.00 0.00 175.26 174.03 1dpt s LEU 5 N 0.76 1.71 -0.12 1.80 2.96 0.96 -0.62 118.68 126.12 1dpt s LEU 5 Ca -0.11 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.25 1dpt s LEU 5 Cb -0.16 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 1dpt s LEU 5 CO 0.02 -0.06 0.04 -1.81 -1.32 0.00 0.00 176.35 173.22 1dpt s ASP 6 N 1.49 5.52 -0.03 3.68 1.01 -0.30 -0.15 116.67 127.88 1dpt s ASP 6 Ca 0.05 0.17 -0.15 0.00 0.71 0.00 0.00 52.55 53.32 1dpt s ASP 6 Cb -0.13 -1.73 0.03 0.00 1.01 0.00 0.00 42.92 42.09 1dpt s ASP 6 CO -0.11 0.32 0.33 0.28 0.21 0.00 0.00 175.17 176.20 1dpt s THR 7 N -0.49 0.05 -2.25 -1.27 -1.32 -0.74 -0.75 115.64 108.88 1dpt s THR 7 Ca 0.10 -0.41 0.19 0.00 -1.21 0.00 0.00 61.69 60.36 1dpt s THR 7 Cb -0.12 -0.62 0.43 0.00 -1.51 0.00 0.00 72.50 70.68 1dpt s THR 7 CO 0.02 -0.22 1.48 -0.46 -2.21 0.00 0.00 174.62 173.23 1dpt n ASN 8 N 1.41 1.93 -4.73 8.08 6.94 -1.22 -2.13 115.26 125.54 1dpt n ASN 8 Ca -0.21 -1.79 -0.42 0.00 -0.02 0.00 0.00 54.58 52.15 1dpt n ASN 8 Cb 0.56 -0.15 -0.03 0.00 -2.36 0.00 0.00 39.78 37.80 1dpt n ASN 8 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1dpt s LEU 9 N -1.45 4.42 0.79 -4.53 1.43 -1.26 -4.51 118.68 113.57 1dpt s LEU 9 Ca 0.32 2.09 -0.13 0.00 -1.03 0.00 0.00 54.13 55.38 1dpt s LEU 9 Cb 0.17 -3.59 0.07 0.00 0.03 0.00 0.00 46.19 42.87 1dpt s LEU 9 CO 0.25 -0.38 1.18 -2.16 0.23 0.00 0.00 176.35 175.47 1dpt s PRO 10 N 0.33 1.82 0.40 1.29 0.04 -1.26 -0.77 135.00 136.85 1dpt s PRO 10 Ca 0.55 1.63 0.15 0.00 0.04 0.00 0.00 61.00 63.36 1dpt s PRO 10 Cb -0.30 -1.81 1.00 0.00 0.04 0.00 0.00 34.50 33.43 1dpt s PRO 10 CO 0.33 -2.05 1.87 0.00 0.04 0.00 0.00 177.00 177.19 1dpt h ALA 11 N -0.85 2.08 -0.00 8.56 0.00 -1.94 -0.30 119.26 126.81 1dpt h ALA 11 Ca -0.46 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1dpt h ALA 11 Cb 1.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1dpt h ALA 11 CO 0.47 -0.34 0.00 0.27 0.00 0.00 0.00 179.25 179.65 1dpt n ASN 12 N -4.53 0.04 -0.02 0.00 6.94 -1.26 -2.51 115.26 113.92 1dpt n ASN 12 Ca 0.18 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.74 1dpt n ASN 12 Cb 0.61 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 1dpt n ASN 12 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1dpt n ARG 13 N -0.48 0.17 -3.21 -3.83 1.74 -0.13 -4.96 116.66 105.97 1dpt n ARG 13 Ca 0.00 -0.46 -0.40 0.00 -0.77 0.00 0.00 57.85 56.22 1dpt n ARG 13 Cb 0.01 -0.94 -0.07 0.00 -1.02 0.00 0.00 32.46 30.44 1dpt n ARG 13 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1dpt s VAL 14 N -0.19 5.07 0.17 1.55 1.01 -1.05 -4.96 120.40 122.00 1dpt s VAL 14 Ca 0.01 0.99 -0.33 0.00 0.00 0.00 0.00 61.98 62.65 1dpt s VAL 14 Cb 0.01 -3.87 -0.15 0.00 0.00 0.00 0.00 36.38 32.37 1dpt s VAL 14 CO 0.01 0.12 1.38 -2.65 0.00 0.00 0.00 175.10 173.97 1dpt n PRO 15 N 5.15 1.69 -1.77 2.72 -0.02 -1.26 -4.89 135.00 136.62 1dpt n PRO 15 Ca -0.03 0.61 -0.40 0.00 -2.02 0.00 0.00 63.50 61.65 1dpt n PRO 15 Cb 0.50 -2.26 0.01 0.00 -0.02 0.00 0.00 33.50 31.73 1dpt n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dpt s ALA 16 N 0.28 3.38 0.00 3.55 0.00 -1.26 -2.25 121.76 125.45 1dpt s ALA 16 Ca 0.75 1.54 0.00 0.00 0.00 0.00 0.00 51.96 54.25 1dpt s ALA 16 Cb -0.76 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 18.75 1dpt s ALA 16 CO 0.46 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 175.46 1dpt n GLY 17 N 0.51 0.71 0.28 0.00 0.00 -1.26 -4.93 105.19 100.50 1dpt n GLY 17 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 1dpt n GLY 17 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1dpt h LEU 18 N 0.00 0.64 -1.73 0.99 5.85 -1.82 -1.63 115.31 117.62 1dpt h LEU 18 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1dpt h LEU 18 Cb 0.00 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1dpt h LEU 18 CO 0.00 0.41 0.19 1.05 -0.34 0.00 0.00 178.44 179.75 1dpt h GLU 19 N 0.78 0.37 0.10 1.25 9.09 -1.92 0.68 114.58 124.92 1dpt h GLU 19 Ca 0.32 -0.02 -0.28 0.00 0.05 0.00 0.00 59.36 59.43 1dpt h GLU 19 Cb 0.18 -0.08 0.02 0.00 -1.65 0.00 0.00 28.75 27.22 1dpt h GLU 19 CO -0.18 0.24 -1.19 0.87 0.05 0.00 0.00 179.01 178.80 1dpt h LYS 20 N 0.38 0.55 -0.02 1.06 1.57 -1.75 -2.92 116.57 115.43 1dpt h LYS 20 Ca 0.10 -0.72 -0.10 0.00 -1.87 0.00 0.00 60.65 58.07 1dpt h LYS 20 Cb -0.04 0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1dpt h LYS 20 CO -0.02 1.31 -0.45 0.00 -0.57 0.00 0.00 179.45 179.72 1dpt h ARG 21 N 0.25 0.04 -0.20 3.15 3.08 -0.73 -2.36 114.38 117.60 1dpt h ARG 21 Ca -0.16 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.78 1dpt h ARG 21 Cb 1.86 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.90 1dpt h ARG 21 CO 0.22 0.48 -0.29 1.25 -1.07 0.00 0.00 179.97 180.57 1dpt h LEU 22 N 0.03 0.40 -0.12 3.04 6.46 -0.89 -0.77 115.31 123.45 1dpt h LEU 22 Ca -0.00 -0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.62 1dpt h LEU 22 Cb 0.81 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 1dpt h LEU 22 CO 0.06 0.68 0.07 0.00 -0.62 0.00 0.00 178.44 178.62 1dpt h ALA 24 N 0.97 0.53 -0.19 0.00 0.00 -1.29 -0.73 119.26 118.55 1dpt h ALA 24 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1dpt h ALA 24 Cb 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1dpt h ALA 24 CO -0.01 0.02 0.10 0.00 0.00 0.00 0.00 179.25 179.36 1dpt h ALA 25 N 1.11 0.24 -0.57 0.00 0.00 -1.02 -2.66 119.26 116.36 1dpt h ALA 25 Ca 0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1dpt h ALA 25 Cb 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1dpt h ALA 25 CO -0.03 -0.21 0.19 0.00 0.00 0.00 0.00 179.25 179.21 1dpt h ALA 26 N 0.97 1.27 -0.26 0.00 0.00 -0.72 -0.83 119.26 119.69 1dpt h ALA 26 Ca 0.07 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1dpt h ALA 26 Cb 0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1dpt h ALA 26 CO -0.01 0.53 0.03 0.00 0.00 0.00 0.00 179.25 179.80 1dpt h ALA 27 N 1.39 0.26 -0.38 0.00 0.00 -0.84 0.63 119.26 120.31 1dpt h ALA 27 Ca 0.19 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 1dpt h ALA 27 Cb 0.21 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1dpt h ALA 27 CO -0.01 -0.38 -0.32 0.77 0.00 0.00 0.00 179.25 179.30 1dpt h SER 28 N 0.12 0.94 -0.09 0.00 0.02 -1.15 -0.00 113.55 113.39 1dpt h SER 28 Ca 0.12 -0.45 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 1dpt h SER 28 Cb 0.14 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 1dpt h SER 28 CO -0.18 1.19 -0.05 0.40 -1.14 0.00 0.00 176.83 177.05 1dpt h ILE 29 N 0.69 1.33 -0.00 3.27 2.04 -0.95 -3.29 117.51 120.61 1dpt h ILE 29 Ca 0.07 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1dpt h ILE 29 Cb 0.91 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1dpt h ILE 29 CO 0.08 0.31 -0.40 0.18 0.00 0.00 0.00 178.15 178.33 1dpt n LEU 30 N -4.73 0.51 -1.45 1.44 4.77 0.19 -4.92 117.00 112.82 1dpt n LEU 30 Ca -0.07 0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.84 1dpt n LEU 30 Cb 0.28 -0.26 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1dpt n LEU 30 CO 0.36 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1dpt n GLY 31 N 1.47 0.17 3.34 -0.72 0.00 -0.06 -5.01 105.19 104.38 1dpt n GLY 31 Ca 0.07 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 1dpt n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dpt s LYS 32 N -5.04 1.30 0.41 1.61 -0.14 -0.95 -5.05 119.74 111.89 1dpt s LYS 32 Ca 0.13 -1.41 -0.26 0.00 -1.36 0.00 0.00 55.97 53.07 1dpt s LYS 32 Cb -0.06 -1.40 -0.09 0.00 -1.68 0.00 0.00 37.83 34.60 1dpt s LYS 32 CO 0.17 0.29 1.39 -2.14 -0.76 0.00 0.00 175.35 174.30 1dpt s PRO 33 N -2.73 3.90 0.53 -1.68 0.02 -1.26 -4.37 135.00 129.42 1dpt s PRO 33 Ca 0.16 2.35 0.20 0.00 0.02 0.00 0.00 61.00 63.73 1dpt s PRO 33 Cb -0.06 -2.78 1.39 0.00 0.02 0.00 0.00 34.50 33.07 1dpt s PRO 33 CO 0.07 -0.61 2.15 0.00 -0.33 0.00 0.00 177.00 178.28 1dpt h ALA 34 N 2.64 1.81 -0.03 -1.55 0.00 -1.91 -0.16 119.26 120.06 1dpt h ALA 34 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1dpt h ALA 34 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1dpt h ALA 34 CO 0.62 0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 1dpt n ASP 35 N -4.30 0.17 -0.09 0.00 5.75 -1.26 -2.22 116.55 114.60 1dpt n ASP 35 Ca -0.03 -1.86 0.01 0.00 -0.01 0.00 0.00 54.79 52.90 1dpt n ASP 35 Cb 0.11 -0.02 0.02 0.00 -1.03 0.00 0.00 41.12 40.20 1dpt n ASP 35 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1dpt n ARG 36 N -0.47 1.25 -3.63 0.11 5.12 -0.08 -5.00 116.66 113.95 1dpt n ARG 36 Ca 0.04 -1.14 -0.36 0.00 -1.93 0.00 0.00 57.85 54.47 1dpt n ARG 36 Cb 0.04 -1.04 -0.07 0.00 -1.16 0.00 0.00 32.46 30.23 1dpt n ARG 36 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1dpt s VAL 37 N -0.61 5.36 -0.10 1.55 1.01 -0.94 -1.53 120.40 125.13 1dpt s VAL 37 Ca 0.03 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.42 1dpt s VAL 37 Cb 0.02 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 1dpt s VAL 37 CO 0.03 0.42 -0.22 0.20 0.00 0.00 0.00 175.10 175.53 1dpt s ASN 38 N 0.39 3.30 -0.04 3.32 0.01 -0.13 -4.95 114.94 116.83 1dpt s ASN 38 Ca 0.13 -0.50 0.04 0.00 -0.71 0.00 0.00 52.86 51.81 1dpt s ASN 38 Cb -0.12 -1.43 -0.00 0.00 0.41 0.00 0.00 41.25 40.11 1dpt s ASN 38 CO 0.01 0.17 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.92 1dpt s VAL 39 N 0.31 1.31 -0.11 1.60 1.01 -1.26 -0.09 120.40 123.17 1dpt s VAL 39 Ca -0.16 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1dpt s VAL 39 Cb -0.17 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.09 1dpt s VAL 39 CO 0.08 0.38 -0.11 -0.89 0.00 0.00 0.00 175.10 174.56 1dpt s THR 40 N 0.11 1.21 -0.15 3.92 2.01 0.55 -4.97 115.64 118.32 1dpt s THR 40 Ca -0.05 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1dpt s THR 40 Cb -0.11 -1.16 -0.00 0.00 0.01 0.00 0.00 72.50 71.23 1dpt s THR 40 CO 0.02 0.39 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.50 1dpt s VAL 41 N 1.33 2.72 -0.40 3.82 1.01 -1.26 -0.03 120.40 127.59 1dpt s VAL 41 Ca -0.01 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1dpt s VAL 41 Cb -0.14 -2.14 0.11 0.00 0.00 0.00 0.00 36.38 34.21 1dpt s VAL 41 CO -0.05 0.52 0.12 -0.13 0.00 0.00 0.00 175.10 175.56 1dpt s ARG 42 N 0.69 1.62 0.61 2.72 0.52 0.79 -4.97 118.95 120.94 1dpt s ARG 42 Ca -0.07 -2.11 0.01 0.00 -0.52 0.00 0.00 55.73 53.04 1dpt s ARG 42 Cb -0.16 -3.21 0.07 0.00 0.52 0.00 0.00 34.95 32.17 1dpt s ARG 42 CO 0.02 -1.00 0.85 -1.25 0.02 0.00 0.00 175.30 173.94 1dpt s PRO 43 N 0.52 2.21 -1.27 3.54 0.04 -1.26 -1.79 135.00 137.00 1dpt s PRO 43 Ca 0.13 -0.99 0.00 0.00 0.04 0.00 0.00 61.00 60.18 1dpt s PRO 43 Cb -0.21 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1dpt s PRO 43 CO -0.06 -0.99 0.00 0.41 0.04 0.00 0.00 177.00 176.41 1dpt n GLY 44 N -2.50 1.01 3.92 0.56 0.00 0.05 -4.81 105.19 103.42 1dpt n GLY 44 Ca 0.11 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 1dpt n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dpt s LEU 45 N -3.01 3.10 -0.32 0.99 1.43 -0.91 -4.97 118.68 114.99 1dpt s LEU 45 Ca 0.00 0.68 -0.13 0.00 -1.03 0.00 0.00 54.13 53.65 1dpt s LEU 45 Cb 0.00 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 1dpt s LEU 45 CO 0.00 -1.23 0.25 0.00 0.23 0.00 0.00 176.35 175.60 1dpt s ALA 46 N -3.09 3.52 0.07 4.21 0.00 -1.26 -4.14 121.76 121.06 1dpt s ALA 46 Ca 0.56 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 51.31 1dpt s ALA 46 Cb -0.11 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 1dpt s ALA 46 CO 0.46 -0.83 -0.07 -1.64 0.00 0.00 0.00 175.76 173.68 1dpt s MET 47 N 1.80 0.66 -0.05 0.00 -1.94 -1.26 -5.02 119.30 113.49 1dpt s MET 47 Ca 0.08 -1.01 0.02 0.00 -1.71 0.00 0.00 55.69 53.06 1dpt s MET 47 Cb -0.17 -0.26 0.02 0.00 2.01 0.00 0.00 34.83 36.43 1dpt s MET 47 CO 0.11 0.02 -0.08 0.00 -0.01 0.00 0.00 175.02 175.06 1dpt s ALA 48 N -2.37 0.87 -0.09 3.03 0.00 -1.26 -4.34 121.76 117.61 1dpt s ALA 48 Ca -0.00 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.76 1dpt s ALA 48 Cb -0.03 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.67 1dpt s ALA 48 CO -0.02 0.06 -0.10 -1.17 0.00 0.00 0.00 175.76 174.53 1dpt s LEU 49 N 0.68 1.43 -1.39 0.00 0.20 0.21 -4.65 118.68 115.16 1dpt s LEU 49 Ca -0.11 -0.31 -0.09 0.00 0.69 0.00 0.00 54.13 54.31 1dpt s LEU 49 Cb -0.14 -0.84 0.03 0.00 -0.43 0.00 0.00 46.19 44.81 1dpt s LEU 49 CO 0.01 -0.04 1.10 -1.20 -0.29 0.00 0.00 176.35 175.93 1dpt n SER 50 N 4.37 -5.37 0.00 3.68 7.64 -1.26 -1.72 113.62 120.97 1dpt n SER 50 Ca -0.18 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.08 1dpt n SER 50 Cb 0.51 -4.69 0.00 0.00 -1.01 0.00 0.00 64.21 59.02 1dpt n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dpt n GLY 51 N -1.83 0.68 3.45 0.23 0.00 -1.26 -5.00 105.19 101.46 1dpt n GLY 51 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1dpt n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dpt s SER 52 N -2.66 3.85 -0.03 1.61 0.15 -0.70 -5.02 113.70 110.90 1dpt s SER 52 Ca 0.00 -0.26 0.13 0.00 0.70 0.00 0.00 55.95 56.52 1dpt s SER 52 Cb 0.00 -0.75 0.41 0.00 -1.71 0.00 0.00 66.02 63.98 1dpt s SER 52 CO 0.00 0.34 1.31 0.35 1.20 0.00 0.00 173.24 176.44 1dpt n THR 53 N 2.28 0.81 -0.95 6.45 -2.24 -1.26 -0.62 114.28 118.75 1dpt n THR 53 Ca -0.17 -0.64 -0.32 0.00 -2.27 0.00 0.00 64.05 60.65 1dpt n THR 53 Cb 0.52 0.17 0.14 0.00 -2.10 0.00 0.00 70.33 69.05 1dpt n THR 53 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1dpt s GLU 54 N -1.53 1.50 0.20 -0.78 0.41 -1.26 -4.87 118.70 112.37 1dpt s GLU 54 Ca 0.30 1.49 -0.31 0.00 -0.41 0.00 0.00 54.97 56.04 1dpt s GLU 54 Cb 0.17 -1.79 -0.16 0.00 -1.78 0.00 0.00 34.13 30.58 1dpt s GLU 54 CO 0.18 -2.26 1.04 -2.30 -0.49 0.00 0.00 175.26 171.43 1dpt n PRO 55 N -3.81 1.02 -3.89 0.39 -0.02 -1.26 -4.83 135.00 122.59 1dpt n PRO 55 Ca 0.11 0.36 -0.09 0.00 -2.02 0.00 0.00 63.50 61.87 1dpt n PRO 55 Cb 0.52 -1.76 -0.02 0.00 -0.02 0.00 0.00 33.50 32.22 1dpt n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dpt s ALA 57 N -3.45 -0.66 -0.09 0.00 0.00 -0.21 -3.43 121.76 113.91 1dpt s ALA 57 Ca 0.16 0.46 0.04 0.00 0.00 0.00 0.00 51.96 52.63 1dpt s ALA 57 Cb -0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 22.90 1dpt s ALA 57 CO 0.10 -0.19 -0.23 -0.65 0.00 0.00 0.00 175.76 174.78 1dpt s GLN 58 N -0.64 2.93 -0.04 0.00 -1.52 0.07 -2.64 119.66 117.82 1dpt s GLN 58 Ca -0.07 -0.85 0.07 0.00 -1.95 0.00 0.00 55.36 52.55 1dpt s GLN 58 Cb -0.04 -2.23 -0.01 0.00 -0.22 0.00 0.00 33.01 30.50 1dpt s GLN 58 CO 0.02 0.19 -0.24 -1.17 -0.25 0.00 0.00 175.29 173.83 1dpt s LEU 59 N 0.32 2.05 -0.10 2.90 2.96 -0.34 -1.15 118.68 125.31 1dpt s LEU 59 Ca -0.18 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.30 1dpt s LEU 59 Cb -0.18 -1.31 -0.00 0.00 0.50 0.00 0.00 46.19 45.21 1dpt s LEU 59 CO 0.08 0.26 -0.23 -0.44 -1.32 0.00 0.00 176.35 174.70 1dpt s SER 60 N -0.32 3.15 -0.14 3.68 0.01 0.21 -1.12 113.70 119.17 1dpt s SER 60 Ca 0.02 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.75 1dpt s SER 60 Cb -0.12 -1.42 0.02 0.00 0.21 0.00 0.00 66.02 64.70 1dpt s SER 60 CO 0.02 0.16 -0.17 -0.63 0.41 0.00 0.00 173.24 173.03 1dpt s ILE 61 N 0.34 1.72 -0.04 1.44 1.01 0.05 -1.24 121.20 124.50 1dpt s ILE 61 Ca -0.18 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 59.77 1dpt s ILE 61 Cb -0.18 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 1dpt s ILE 61 CO 0.09 0.48 -0.19 -0.44 0.00 0.00 0.00 174.94 174.88 1dpt s SER 62 N 1.19 2.37 0.07 3.58 0.01 -0.05 -0.25 113.70 120.62 1dpt s SER 62 Ca -0.01 -0.38 -0.27 0.00 1.31 0.00 0.00 55.95 56.60 1dpt s SER 62 Cb -0.14 -0.56 0.08 0.00 0.21 0.00 0.00 66.02 65.61 1dpt s SER 62 CO -0.07 0.19 0.86 -0.55 0.41 0.00 0.00 173.24 174.09 1dpt s SER 63 N -0.12 -0.33 -0.10 2.44 0.15 -1.03 -0.32 113.70 114.38 1dpt s SER 63 Ca -0.01 -0.14 -0.22 0.00 0.70 0.00 0.00 55.95 56.27 1dpt s SER 63 Cb -0.11 0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 64.62 1dpt s SER 63 CO 0.02 -0.78 0.66 -0.63 1.20 0.00 0.00 173.24 173.71 1dpt s ILE 64 N -3.28 5.06 0.00 6.45 1.01 -1.26 -1.36 121.20 127.82 1dpt s ILE 64 Ca 0.07 1.34 0.00 0.00 0.00 0.00 0.00 60.65 62.06 1dpt s ILE 64 Cb -0.01 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1dpt s ILE 64 CO -0.06 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1dpt n GLY 65 N 3.26 1.12 0.57 6.18 0.00 -1.26 -4.74 105.19 110.31 1dpt n GLY 65 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1dpt n GLY 65 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1dpt n VAL 66 N -1.43 0.00 -2.12 1.61 0.24 -1.26 -4.49 118.33 110.87 1dpt n VAL 66 Ca 0.00 -0.41 -0.09 0.00 -2.04 0.00 0.00 64.34 61.81 1dpt n VAL 66 Cb 0.00 1.29 0.07 0.00 -1.47 0.00 0.00 33.84 33.74 1dpt n VAL 66 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1dpt n VAL 67 N 0.46 1.92 0.51 3.34 0.24 -1.26 -4.72 118.33 118.81 1dpt n VAL 67 Ca 0.09 -3.36 0.08 0.00 -2.04 0.00 0.00 64.34 59.11 1dpt n VAL 67 Cb 0.42 -0.20 0.10 0.00 -1.47 0.00 0.00 33.84 32.69 1dpt n VAL 67 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dpt n GLY 68 N -0.66 0.70 3.20 7.63 0.00 -1.26 -4.40 105.19 110.39 1dpt n GLY 68 Ca 0.26 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 1dpt n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dpt s THR 69 N -1.31 1.08 0.24 2.61 -4.23 -1.26 -5.04 115.64 107.73 1dpt s THR 69 Ca 0.22 -1.64 -0.06 0.00 -1.18 0.00 0.00 61.69 59.03 1dpt s THR 69 Cb 0.15 -1.39 0.21 0.00 1.34 0.00 0.00 72.50 72.81 1dpt s THR 69 CO 0.21 -0.49 1.86 0.00 -0.54 0.00 0.00 174.62 175.67 1dpt h ALA 70 N 3.60 1.18 -0.50 3.99 0.00 -1.98 -1.17 119.26 124.38 1dpt h ALA 70 Ca -0.38 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1dpt h ALA 70 Cb 1.19 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1dpt h ALA 70 CO 0.51 0.66 0.19 0.93 0.00 0.00 0.00 179.25 181.54 1dpt h GLU 71 N 1.24 0.75 -0.15 0.00 3.07 -1.99 0.34 114.58 117.84 1dpt h GLU 71 Ca 0.31 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 59.01 1dpt h GLU 71 Cb 0.03 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 1dpt h GLU 71 CO -0.05 0.68 -0.00 -0.44 -1.40 0.00 0.00 179.01 177.79 1dpt h ASP 72 N 0.67 0.26 0.31 1.42 3.32 -1.86 -3.09 116.42 117.45 1dpt h ASP 72 Ca 0.17 -0.32 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 1dpt h ASP 72 Cb 0.21 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1dpt h ASP 72 CO -0.01 0.51 -0.28 0.78 -1.72 0.00 0.00 179.24 178.51 1dpt h ASN 73 N -0.00 0.00 -0.55 6.45 2.35 -1.07 -1.09 115.58 121.67 1dpt h ASN 73 Ca 0.04 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1dpt h ASN 73 Cb 0.38 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1dpt h ASN 73 CO 0.01 0.28 0.25 -0.09 -1.65 0.00 0.00 177.43 176.23 1dpt h ARG 74 N 0.00 0.80 -0.27 0.81 2.43 -0.88 0.11 114.38 117.37 1dpt h ARG 74 Ca -0.00 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 58.99 1dpt h ARG 74 Cb 0.52 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1dpt h ARG 74 CO 0.04 0.67 -0.03 0.77 -1.51 0.00 0.00 179.97 179.91 1dpt h SER 75 N 0.74 0.50 -0.39 -3.80 0.02 -1.31 -2.45 113.55 106.86 1dpt h SER 75 Ca 0.19 -0.34 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1dpt h SER 75 Cb 0.15 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1dpt h SER 75 CO -0.02 0.71 0.24 0.45 -1.14 0.00 0.00 176.83 177.07 1dpt h HIS 76 N 0.27 0.45 -0.55 3.45 3.86 -1.01 -2.84 115.15 118.78 1dpt h HIS 76 Ca 0.07 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.36 1dpt h HIS 76 Cb 0.48 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 28.75 1dpt h HIS 76 CO 0.04 0.27 0.26 1.03 0.86 0.00 0.00 177.93 180.39 1dpt h SER 77 N 0.49 0.34 -0.34 2.45 0.87 -0.73 -0.95 113.55 115.68 1dpt h SER 77 Ca 0.15 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.79 1dpt h SER 77 Cb -0.02 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 1dpt h SER 77 CO -0.06 0.23 0.13 0.00 -0.53 0.00 0.00 176.83 176.60 1dpt h ALA 78 N 1.32 0.40 -0.39 6.23 0.00 -1.21 -0.48 119.26 125.13 1dpt h ALA 78 Ca 0.25 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 1dpt h ALA 78 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1dpt h ALA 78 CO -0.20 -0.26 -0.29 0.45 0.00 0.00 0.00 179.25 178.95 1dpt h HIS 79 N 0.28 0.98 -0.15 0.00 3.86 -1.28 -2.55 115.15 116.29 1dpt h HIS 79 Ca 0.15 -0.25 -0.13 0.00 -1.16 0.00 0.00 60.37 58.98 1dpt h HIS 79 Cb 0.11 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1dpt h HIS 79 CO -0.13 1.02 -0.48 0.74 0.86 0.00 0.00 177.93 179.94 1dpt h PHE 80 N 0.71 0.46 -0.49 2.45 0.04 -0.91 -1.95 116.94 117.24 1dpt h PHE 80 Ca 0.08 -0.14 -0.10 0.00 2.80 0.00 0.00 57.97 60.61 1dpt h PHE 80 Cb 0.84 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 1dpt h PHE 80 CO 0.05 0.79 -0.07 0.74 -0.60 0.00 0.00 178.31 179.22 1dpt h PHE 81 N 0.30 1.02 -0.56 -0.55 -1.00 -1.03 -0.38 116.94 114.75 1dpt h PHE 81 Ca 0.02 -0.20 0.00 0.00 2.81 0.00 0.00 57.97 60.60 1dpt h PHE 81 Cb 0.96 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 40.23 1dpt h PHE 81 CO 0.03 0.97 0.36 1.49 -1.61 0.00 0.00 178.31 179.55 1dpt h GLU 82 N 0.77 0.74 -0.10 1.51 4.57 -1.27 -0.54 114.58 120.27 1dpt h GLU 82 Ca 0.13 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1dpt h GLU 82 Cb 0.61 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1dpt h GLU 82 CO 0.04 0.50 -0.00 0.35 -1.18 0.00 0.00 179.01 178.71 1dpt h PHE 83 N 0.75 0.20 -0.25 0.92 3.57 -1.12 -3.17 116.94 117.84 1dpt h PHE 83 Ca 0.20 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 1dpt h PHE 83 Cb -0.07 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 1dpt h PHE 83 CO -0.03 0.45 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.23 1dpt h LEU 84 N -0.10 0.60 -1.14 0.59 3.38 -0.94 -1.35 115.31 116.35 1dpt h LEU 84 Ca 0.03 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.60 1dpt h LEU 84 Cb 0.37 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1dpt h LEU 84 CO 0.01 0.93 0.59 0.71 0.09 0.00 0.00 178.44 180.76 1dpt h THR 85 N 0.29 1.11 -0.02 0.22 1.35 -1.21 -0.62 112.91 114.03 1dpt h THR 85 Ca 0.05 -0.37 -0.02 0.00 -0.55 0.00 0.00 66.41 65.52 1dpt h THR 85 Cb 0.73 -0.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.09 1dpt h THR 85 CO 0.05 0.20 -0.05 0.50 -0.25 0.00 0.00 175.52 175.96 1dpt h LYS 86 N 1.08 0.08 -0.42 4.72 3.64 -1.51 -0.98 116.57 123.18 1dpt h LYS 86 Ca 0.37 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1dpt h LYS 86 Cb 0.11 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1dpt h LYS 86 CO -0.13 0.65 0.23 0.93 -2.27 0.00 0.00 179.45 178.85 1dpt h GLU 87 N -0.48 0.59 -0.01 1.90 4.39 -1.00 -3.10 114.58 116.87 1dpt h GLU 87 Ca -0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1dpt h GLU 87 Cb 0.65 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1dpt h GLU 87 CO 0.01 0.48 -0.29 1.28 -1.16 0.00 0.00 179.01 179.33 1dpt n LEU 88 N -4.71 1.47 -3.54 1.33 4.77 -0.26 -4.73 117.00 111.33 1dpt n LEU 88 Ca 0.01 -0.47 -0.19 0.00 -0.03 0.00 0.00 56.01 55.32 1dpt n LEU 88 Cb 0.09 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.18 1dpt n LEU 88 CO 0.36 0.27 0.05 0.00 -1.33 0.00 0.00 177.39 176.74 1dpt n ALA 89 N -0.29 -1.99 -2.40 -1.18 0.00 -0.43 -5.01 120.51 109.22 1dpt n ALA 89 Ca 0.12 -0.08 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 1dpt n ALA 89 Cb 0.40 -2.35 -0.13 0.00 0.00 0.00 0.00 19.45 17.37 1dpt n ALA 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1dpt s LEU 90 N -6.51 2.33 0.66 0.00 1.43 -0.87 -5.05 118.68 110.66 1dpt s LEU 90 Ca 0.03 -0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 52.26 1dpt s LEU 90 Cb -0.01 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 1dpt s LEU 90 CO 0.76 0.17 1.04 -0.83 0.23 0.00 0.00 176.35 177.73 1dpt s GLY 91 N -2.10 1.67 0.48 -3.19 0.00 -1.26 -4.49 107.32 98.43 1dpt s GLY 91 Ca 0.14 -0.00 0.33 0.00 0.00 0.00 0.00 44.72 45.19 1dpt s GLY 91 CO 0.06 0.29 1.99 0.06 0.00 0.00 0.00 173.10 175.50 1dpt h GLN 92 N -0.51 0.00 0.00 2.90 3.07 -1.95 -0.83 115.11 117.78 1dpt h GLN 92 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.30 1dpt h GLN 92 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.76 1dpt h GLN 92 CO 0.59 0.00 0.00 -0.40 0.09 0.00 0.00 178.83 179.11 1dpt n ASP 93 N -2.72 0.00 -1.09 0.06 5.75 -1.26 -3.53 116.55 113.77 1dpt n ASP 93 Ca -0.01 0.15 0.08 0.00 -0.01 0.00 0.00 54.79 55.00 1dpt n ASP 93 Cb 0.13 -0.38 0.27 0.00 -1.03 0.00 0.00 41.12 40.11 1dpt n ASP 93 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1dpt n ARG 94 N -1.38 3.31 -4.36 0.11 5.12 -0.32 -4.95 116.66 114.19 1dpt n ARG 94 Ca 0.11 -2.71 -0.19 0.00 -1.93 0.00 0.00 57.85 53.13 1dpt n ARG 94 Cb 0.28 -1.77 -0.15 0.00 -1.16 0.00 0.00 32.46 29.66 1dpt n ARG 94 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1dpt s ILE 95 N -2.21 0.70 0.03 0.55 1.01 -1.23 -1.05 121.20 119.00 1dpt s ILE 95 Ca 0.41 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.71 1dpt s ILE 95 Cb 0.30 -0.59 -0.02 0.00 0.01 0.00 0.00 42.46 42.16 1dpt s ILE 95 CO 0.14 0.20 -0.07 -0.76 0.00 0.00 0.00 174.94 174.46 1dpt s LEU 96 N -0.13 2.17 0.05 2.97 1.43 -1.08 -5.01 118.68 119.08 1dpt s LEU 96 Ca 0.02 -0.39 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1dpt s LEU 96 Cb -0.04 -0.19 -0.02 0.00 0.03 0.00 0.00 46.19 45.96 1dpt s LEU 96 CO -0.00 -0.11 -0.19 -0.63 0.23 0.00 0.00 176.35 175.65 1dpt s ILE 97 N -0.95 1.49 -0.04 -0.59 1.01 -1.26 -1.20 121.20 119.66 1dpt s ILE 97 Ca -0.06 -1.17 0.05 0.00 0.00 0.00 0.00 60.65 59.47 1dpt s ILE 97 Cb -0.07 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 1dpt s ILE 97 CO 0.00 0.11 -0.19 -0.13 0.00 0.00 0.00 174.94 174.73 1dpt s ARG 98 N -1.24 1.83 -0.12 2.79 0.52 -0.28 -4.97 118.95 117.48 1dpt s ARG 98 Ca 0.05 -0.69 -0.02 0.00 -0.52 0.00 0.00 55.73 54.56 1dpt s ARG 98 Cb -0.09 -1.64 -0.03 0.00 0.52 0.00 0.00 34.95 33.72 1dpt s ARG 98 CO 0.02 0.33 -0.06 -0.06 0.02 0.00 0.00 175.30 175.55 1dpt s PHE 99 N -0.17 2.97 -0.23 -0.53 0.08 -1.26 -0.77 117.98 118.07 1dpt s PHE 99 Ca 0.00 -0.25 -0.01 0.00 0.12 0.00 0.00 56.93 56.80 1dpt s PHE 99 Cb -0.10 -1.86 0.07 0.00 -0.57 0.00 0.00 43.02 40.55 1dpt s PHE 99 CO 0.01 0.06 0.02 -0.06 -0.10 0.00 0.00 175.22 175.15 1dpt s PHE 100 N -0.02 1.66 0.48 0.36 0.08 0.65 -4.96 117.98 116.23 1dpt s PHE 100 Ca -0.00 -1.35 -0.23 0.00 0.12 0.00 0.00 56.93 55.47 1dpt s PHE 100 Cb -0.13 -1.37 -0.07 0.00 -0.57 0.00 0.00 43.02 40.88 1dpt s PHE 100 CO 0.03 -0.72 1.20 -2.14 -0.10 0.00 0.00 175.22 173.49 1dpt s PRO 101 N 1.64 3.64 0.19 0.24 0.02 -1.26 -2.45 135.00 137.02 1dpt s PRO 101 Ca -0.01 1.85 0.07 0.00 0.02 0.00 0.00 61.00 62.94 1dpt s PRO 101 Cb -0.18 -2.37 -0.05 0.00 0.02 0.00 0.00 34.50 31.92 1dpt s PRO 101 CO -0.10 -0.67 -0.14 -0.51 -0.33 0.00 0.00 177.00 175.24 1dpt s LEU 102 N -3.13 2.54 0.23 -5.54 1.43 -0.46 -4.84 118.68 108.91 1dpt s LEU 102 Ca 0.65 -1.00 0.11 0.00 -1.03 0.00 0.00 54.13 52.86 1dpt s LEU 102 Cb -0.31 -0.65 -0.05 0.00 0.03 0.00 0.00 46.19 45.22 1dpt s LEU 102 CO 0.37 -0.17 -0.16 -1.61 0.23 0.00 0.00 176.35 175.00 1dpt s GLU 103 N -3.55 1.80 0.51 1.70 2.02 -1.26 -4.19 118.70 115.72 1dpt s GLU 103 Ca 0.21 -1.53 0.17 0.00 0.02 0.00 0.00 54.97 53.84 1dpt s GLU 103 Cb -0.01 -1.93 1.25 0.00 0.10 0.00 0.00 34.13 33.53 1dpt s GLU 103 CO 0.06 0.38 2.09 0.66 0.02 0.00 0.00 175.26 178.47 1dpt h SER 104 N 2.66 0.07 0.38 -0.19 4.64 -1.96 -1.08 113.55 118.06 1dpt h SER 104 Ca -0.44 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1dpt h SER 104 Cb 1.23 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1dpt h SER 104 CO 0.55 0.05 0.00 -2.67 -0.87 0.00 0.00 176.83 173.88 1dpt n TRP 105 N -4.49 0.00 1.01 4.77 4.27 -1.26 -2.66 117.44 119.08 1dpt n TRP 105 Ca 0.02 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.74 1dpt n TRP 105 Cb 0.24 -0.28 0.05 0.00 -1.36 0.00 0.00 31.31 29.96 1dpt n TRP 105 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1dpt n GLN 106 N -1.28 0.05 -3.77 -2.67 6.02 -0.41 -4.87 117.38 110.45 1dpt n GLN 106 Ca 0.09 -0.04 -0.37 0.00 -0.01 0.00 0.00 57.00 56.68 1dpt n GLN 106 Cb 0.16 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.79 1dpt n GLN 106 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1dpt s ILE 107 N -2.98 3.93 -0.21 5.09 1.01 -1.09 -5.02 121.20 121.94 1dpt s ILE 107 Ca 0.10 -0.67 -0.19 0.00 0.00 0.00 0.00 60.65 59.89 1dpt s ILE 107 Cb 0.17 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 1dpt s ILE 107 CO 0.78 0.11 0.57 -0.83 0.00 0.00 0.00 174.94 175.57 1dpt s GLY 108 N 1.50 2.02 -0.00 6.18 0.00 -1.26 -1.43 107.32 114.33 1dpt s GLY 108 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.38 1dpt s GLY 108 CO 0.02 1.22 0.00 1.25 0.00 0.00 0.00 173.10 175.59 1dpt s LYS 109 N 1.88 0.01 -1.10 2.90 2.20 -0.50 -4.91 119.74 120.22 1dpt s LYS 109 Ca 0.26 0.01 -0.05 0.00 -0.36 0.00 0.00 55.97 55.82 1dpt s LYS 109 Cb -0.16 -0.03 0.01 0.00 -1.51 0.00 0.00 37.83 36.15 1dpt s LYS 109 CO 0.10 -0.01 0.10 0.44 -0.36 0.00 0.00 175.35 175.62 1dpt n ILE 110 N 3.15 -0.98 -0.94 5.43 -5.35 -1.26 -1.15 119.36 118.26 1dpt n ILE 110 Ca -0.13 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 1dpt n ILE 110 Cb 0.59 -0.92 0.00 0.00 -1.74 0.00 0.00 39.64 37.57 1dpt n ILE 110 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dpt n GLY 111 N -2.10 0.63 0.00 3.28 0.00 -1.26 -4.96 105.19 100.78 1dpt n GLY 111 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1dpt n GLY 111 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1dpt n THR 112 N -2.33 0.00 -4.32 2.61 5.66 -0.30 -5.17 114.28 110.43 1dpt n THR 112 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 1dpt n THR 112 Cb 0.04 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.72 1dpt n THR 112 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1dpt s VAL 113 N -0.28 1.67 0.61 1.08 -7.23 -1.26 -1.41 120.40 113.57 1dpt s VAL 113 Ca 0.00 -2.08 0.33 0.00 -1.81 0.00 0.00 61.98 58.41 1dpt s VAL 113 Cb 0.00 -1.93 0.37 0.00 0.56 0.00 0.00 36.38 35.39 1dpt s VAL 113 CO 0.00 -0.53 2.24 0.24 -0.31 0.00 0.00 175.10 176.74 1dpt h MET 114 N 2.83 0.00 -0.64 4.82 0.00 -1.16 -2.05 114.93 118.73 1dpt h MET 114 Ca -0.39 0.00 0.16 0.00 0.00 0.00 0.00 59.70 59.47 1dpt h MET 114 Cb 1.21 0.00 -0.03 0.00 0.00 0.00 0.00 31.60 32.78 1dpt h MET 114 CO 0.58 0.00 0.45 1.15 0.00 0.00 0.00 176.91 179.09 1dpt h THR 115 N 0.00 0.75 -0.50 2.22 2.02 -1.85 -1.78 112.91 113.76 1dpt h THR 115 Ca 0.02 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1dpt h THR 115 Cb 0.13 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1dpt h THR 115 CO -0.00 0.03 0.00 0.49 0.37 0.00 0.00 175.52 176.41 1dpt n PHE 116 N -4.41 1.28 0.19 3.16 3.72 -0.77 -5.07 117.46 115.56 1dpt n PHE 116 Ca 0.12 -0.67 0.02 0.00 -0.05 0.00 0.00 57.45 56.87 1dpt n PHE 116 Cb 0.60 -0.26 0.02 0.00 -0.94 0.00 0.00 39.48 38.90 1dpt n PHE 116 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99