#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 2.75 -0.13 6.00 0.40 0.59 -0.73 117.98 126.87 1dpt s PHE 2 Ca 0.00 -1.26 0.03 0.00 -0.60 0.00 0.00 56.93 55.09 1dpt s PHE 2 Cb 0.00 -1.88 0.01 0.00 0.51 0.00 0.00 43.02 41.65 1dpt s PHE 2 CO 0.00 -0.60 -0.22 -0.51 0.70 0.00 0.00 175.22 174.59 1dpt s LEU 3 N 0.96 2.10 -0.13 -0.37 1.02 0.12 -1.12 118.68 121.27 1dpt s LEU 3 Ca -0.03 -0.59 0.02 0.00 0.02 0.00 0.00 54.13 53.54 1dpt s LEU 3 Cb -0.15 -1.43 0.01 0.00 0.02 0.00 0.00 46.19 44.64 1dpt s LEU 3 CO -0.04 0.10 -0.17 -1.61 0.02 0.00 0.00 176.35 174.65 1dpt s GLU 4 N 0.71 2.48 -0.18 1.70 2.02 -0.33 -0.48 118.70 124.62 1dpt s GLU 4 Ca -0.10 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.25 1dpt s GLU 4 Cb -0.16 -2.10 0.02 0.00 0.10 0.00 0.00 34.13 31.99 1dpt s GLU 4 CO 0.01 -0.08 -0.20 -1.17 0.02 0.00 0.00 175.26 173.84 1dpt s LEU 5 N 1.03 2.11 -0.11 1.80 2.96 0.97 -0.60 118.68 126.83 1dpt s LEU 5 Ca -0.05 -0.64 -0.04 0.00 -0.22 0.00 0.00 54.13 53.19 1dpt s LEU 5 Cb -0.15 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 1dpt s LEU 5 CO -0.04 -0.00 0.03 -1.81 -1.32 0.00 0.00 176.35 173.21 1dpt s ASP 6 N 1.30 5.42 0.00 3.68 1.01 -0.16 -0.42 116.67 127.50 1dpt s ASP 6 Ca 0.05 0.15 -0.14 0.00 0.71 0.00 0.00 52.55 53.32 1dpt s ASP 6 Cb -0.13 -1.67 0.02 0.00 1.01 0.00 0.00 42.92 42.15 1dpt s ASP 6 CO -0.13 0.33 0.29 0.28 0.21 0.00 0.00 175.17 176.16 1dpt s THR 7 N -0.58 0.07 -2.14 -1.27 -1.32 -0.68 -0.75 115.64 108.97 1dpt s THR 7 Ca 0.10 -0.55 0.19 0.00 -1.21 0.00 0.00 61.69 60.22 1dpt s THR 7 Cb -0.12 -0.68 0.47 0.00 -1.51 0.00 0.00 72.50 70.66 1dpt s THR 7 CO 0.02 -0.30 1.42 -0.46 -2.21 0.00 0.00 174.62 173.10 1dpt n ASN 8 N 1.12 2.80 -4.73 8.08 6.94 -1.22 -1.76 115.26 126.49 1dpt n ASN 8 Ca -0.21 -1.95 -0.41 0.00 -0.02 0.00 0.00 54.58 51.99 1dpt n ASN 8 Cb 0.57 -0.30 -0.04 0.00 -2.36 0.00 0.00 39.78 37.65 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 -1.19 4.48 0.81 -4.53 1.43 -1.26 -4.52 118.68 113.90 1dpt s LEU 9 Ca 0.36 1.95 -0.13 0.00 -1.03 0.00 0.00 54.13 55.28 1dpt s LEU 9 Cb 0.19 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.90 1dpt s LEU 9 CO 0.26 -0.18 1.17 -2.16 0.23 0.00 0.00 176.35 175.67 1dpt s PRO 10 N -0.04 1.72 0.43 1.29 0.04 -1.26 -0.62 135.00 136.55 1dpt s PRO 10 Ca 0.49 1.61 0.18 0.00 0.04 0.00 0.00 61.00 63.32 1dpt s PRO 10 Cb -0.27 -1.80 1.10 0.00 0.04 0.00 0.00 34.50 33.58 1dpt s PRO 10 CO 0.32 -2.12 1.90 0.00 0.04 0.00 0.00 177.00 177.13 1dpt h ALA 11 N -1.00 2.21 -0.13 8.56 0.00 -1.94 -0.35 119.26 126.61 1dpt h ALA 11 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1dpt h ALA 11 Cb 1.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1dpt h ALA 11 CO 0.47 -0.44 0.00 0.27 0.00 0.00 0.00 179.25 179.54 1dpt n ASN 12 N -4.47 0.69 -0.02 0.00 6.94 -1.26 -2.71 115.26 114.43 1dpt n ASN 12 Ca 0.16 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.72 1dpt n ASN 12 Cb 0.62 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 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 -0.13 0.19 -3.27 -3.83 1.74 -0.15 -4.95 116.66 106.26 1dpt n ARG 13 Ca 0.04 -0.45 -0.39 0.00 -0.77 0.00 0.00 57.85 56.27 1dpt n ARG 13 Cb 0.11 -0.94 -0.08 0.00 -1.02 0.00 0.00 32.46 30.53 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 -0.18 5.10 0.19 1.55 1.01 -1.10 -4.95 120.40 122.02 1dpt s VAL 14 Ca 0.01 0.84 -0.32 0.00 0.00 0.00 0.00 61.98 62.50 1dpt s VAL 14 Cb 0.00 -3.80 -0.15 0.00 0.00 0.00 0.00 36.38 32.43 1dpt s VAL 14 CO 0.01 0.13 1.18 -2.65 0.00 0.00 0.00 175.10 173.76 1dpt n PRO 15 N 5.28 1.31 -1.93 2.72 -0.02 -1.26 -4.88 135.00 136.21 1dpt n PRO 15 Ca -0.05 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 1dpt n PRO 15 Cb 0.50 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 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 -0.27 3.65 0.00 3.55 0.00 -1.26 -2.44 121.76 124.99 1dpt s ALA 16 Ca 0.71 1.42 0.00 0.00 0.00 0.00 0.00 51.96 54.08 1dpt s ALA 16 Cb -0.81 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 18.73 1dpt s ALA 16 CO 0.53 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1dpt n GLY 17 N 2.01 0.50 0.19 0.00 0.00 -1.26 -4.95 105.19 101.69 1dpt n GLY 17 Ca 0.06 -0.24 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 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 0.35 -1.59 0.99 5.85 -1.85 -1.67 115.31 117.39 1dpt h LEU 18 Ca 0.00 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.82 1dpt h LEU 18 Cb 0.00 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1dpt h LEU 18 CO 0.00 0.25 0.39 1.05 -0.34 0.00 0.00 178.44 179.79 1dpt h GLU 19 N 0.47 0.47 -0.03 1.25 9.09 -1.92 0.28 114.58 124.19 1dpt h GLU 19 Ca 0.19 -0.03 -0.15 0.00 0.05 0.00 0.00 59.36 59.43 1dpt h GLU 19 Cb 0.09 -0.11 0.01 0.00 -1.65 0.00 0.00 28.75 27.09 1dpt h GLU 19 CO -0.13 0.31 -0.55 -0.22 0.05 0.00 0.00 179.01 178.48 1dpt h LYS 20 N 0.49 0.43 -0.20 1.06 3.64 -1.78 -2.97 116.57 117.23 1dpt h LYS 20 Ca 0.26 -0.42 -0.06 0.00 -1.27 0.00 0.00 60.65 59.16 1dpt h LYS 20 Cb 0.40 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1dpt h LYS 20 CO -0.08 1.07 -0.15 0.00 -2.27 0.00 0.00 179.45 178.03 1dpt h ARG 21 N -0.06 0.33 0.00 1.90 3.08 -0.87 -1.56 114.38 117.20 1dpt h ARG 21 Ca -0.06 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1dpt h ARG 21 Cb 1.24 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1dpt h ARG 21 CO 0.11 0.48 -0.26 1.25 -1.07 0.00 0.00 179.97 180.48 1dpt h LEU 22 N 0.31 0.00 -0.27 3.04 5.85 -0.96 -1.13 115.31 122.15 1dpt h LEU 22 Ca 0.06 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1dpt h LEU 22 Cb 0.45 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1dpt h LEU 22 CO 0.03 0.26 0.01 0.00 -0.34 0.00 0.00 178.44 178.39 1dpt h ALA 24 N 0.83 0.69 -0.37 0.00 0.00 -1.29 -1.87 119.26 117.25 1dpt h ALA 24 Ca 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1dpt h ALA 24 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1dpt h ALA 24 CO 0.01 0.50 0.13 0.00 0.00 0.00 0.00 179.25 179.90 1dpt h ALA 25 N 0.94 0.48 -0.93 0.00 0.00 -1.13 -2.18 119.26 116.44 1dpt h ALA 25 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dpt h ALA 25 Cb 0.52 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1dpt h ALA 25 CO 0.03 0.10 0.59 0.00 0.00 0.00 0.00 179.25 179.96 1dpt h ALA 26 N 0.98 1.28 -0.49 0.00 0.00 -0.93 0.00 119.26 120.10 1dpt h ALA 26 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1dpt h ALA 26 Cb 0.21 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1dpt h ALA 26 CO -0.01 0.64 0.33 0.00 0.00 0.00 0.00 179.25 180.21 1dpt h ALA 27 N 1.37 0.62 -0.46 0.00 0.00 -1.03 0.19 119.26 119.96 1dpt h ALA 27 Ca 0.34 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1dpt h ALA 27 Cb -0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1dpt h ALA 27 CO -0.07 0.07 -0.12 1.03 0.00 0.00 0.00 179.25 180.17 1dpt h SER 28 N 0.67 0.83 0.04 0.00 0.87 -0.75 0.43 113.55 115.64 1dpt h SER 28 Ca 0.18 -0.26 -0.05 0.00 -1.23 0.00 0.00 61.79 60.43 1dpt h SER 28 Cb -0.08 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 61.66 1dpt h SER 28 CO -0.04 0.96 -0.24 0.40 -0.53 0.00 0.00 176.83 177.38 1dpt h ILE 29 N 0.75 1.71 0.00 2.23 2.04 -0.68 -3.36 117.51 120.20 1dpt h ILE 29 Ca 0.12 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.59 1dpt h ILE 29 Cb 0.62 3.33 0.00 0.00 -0.74 0.00 0.00 36.82 40.03 1dpt h ILE 29 CO 0.04 0.63 -0.42 0.18 0.00 0.00 0.00 178.15 178.58 1dpt n LEU 30 N -4.48 0.63 -0.03 1.44 4.77 0.64 -4.93 117.00 115.04 1dpt n LEU 30 Ca -0.11 0.29 -0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1dpt n LEU 30 Cb 0.58 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1dpt n LEU 30 CO 0.38 -0.05 -0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1dpt n GLY 31 N 1.37 0.45 3.72 -0.72 0.00 0.13 -5.02 105.19 105.12 1dpt n GLY 31 Ca 0.04 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.32 2.65 0.37 1.61 1.02 -1.15 -5.02 119.74 117.89 1dpt s LYS 32 Ca 0.00 -0.86 -0.28 0.00 0.02 0.00 0.00 55.97 54.85 1dpt s LYS 32 Cb 0.00 -2.56 -0.11 0.00 -0.52 0.00 0.00 37.83 34.63 1dpt s LYS 32 CO 0.00 0.52 1.42 -2.30 -0.92 0.00 0.00 175.35 174.06 1dpt n PRO 33 N 0.25 2.46 -0.05 -1.68 -0.02 -1.26 -4.19 135.00 130.51 1dpt n PRO 33 Ca -0.10 0.86 0.14 0.00 -2.02 0.00 0.00 63.50 62.39 1dpt n PRO 33 Cb 0.53 -2.55 0.56 0.00 -0.02 0.00 0.00 33.50 32.02 1dpt n PRO 33 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dpt h ALA 34 N 2.76 2.16 0.00 3.55 0.00 -1.92 -0.01 119.26 125.79 1dpt h ALA 34 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1dpt h ALA 34 Cb 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1dpt h ALA 34 CO 0.63 -0.29 0.00 -0.40 0.00 0.00 0.00 179.25 179.19 1dpt n ASP 35 N -4.45 0.00 0.00 0.00 5.75 -1.26 -2.03 116.55 114.56 1dpt n ASP 35 Ca 0.09 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 1dpt n ASP 35 Cb 0.43 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 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 -0.56 2.61 -3.90 0.11 1.74 -0.02 -5.01 116.66 111.63 1dpt n ARG 36 Ca 0.02 -1.38 -0.36 0.00 -0.77 0.00 0.00 57.85 55.37 1dpt n ARG 36 Cb 0.01 -0.96 -0.08 0.00 -1.02 0.00 0.00 32.46 30.41 1dpt n ARG 36 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1dpt s VAL 37 N -0.88 5.22 -0.10 1.55 1.01 -0.86 -1.65 120.40 124.68 1dpt s VAL 37 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1dpt s VAL 37 Cb 0.00 -3.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.06 1dpt s VAL 37 CO 0.00 0.52 -0.23 0.20 0.00 0.00 0.00 175.10 175.60 1dpt s ASN 38 N -0.24 3.20 -0.02 3.32 0.01 0.10 -4.95 114.94 116.35 1dpt s ASN 38 Ca 0.10 -0.53 0.04 0.00 -0.71 0.00 0.00 52.86 51.76 1dpt s ASN 38 Cb -0.12 -1.44 -0.01 0.00 0.41 0.00 0.00 41.25 40.10 1dpt s ASN 38 CO 0.01 0.16 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.91 1dpt s VAL 39 N 0.35 1.25 -0.09 1.60 1.01 -1.26 0.16 120.40 123.43 1dpt s VAL 39 Ca -0.18 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1dpt s VAL 39 Cb -0.18 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.17 1dpt s VAL 39 CO 0.08 0.36 -0.07 -0.89 0.00 0.00 0.00 175.10 174.59 1dpt s THR 40 N -0.15 0.86 -0.12 3.92 2.01 0.37 -4.97 115.64 117.56 1dpt s THR 40 Ca 0.01 -0.22 0.02 0.00 0.31 0.00 0.00 61.69 61.81 1dpt s THR 40 Cb -0.08 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 1dpt s THR 40 CO 0.00 0.32 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.39 1dpt s VAL 41 N 1.44 2.53 -0.40 3.82 1.01 -1.26 -0.02 120.40 127.53 1dpt s VAL 41 Ca -0.01 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1dpt s VAL 41 Cb -0.13 -2.03 0.11 0.00 0.00 0.00 0.00 36.38 34.34 1dpt s VAL 41 CO -0.04 0.54 0.15 -0.13 0.00 0.00 0.00 175.10 175.61 1dpt s ARG 42 N 0.41 1.42 0.67 2.72 0.52 0.44 -4.97 118.95 120.16 1dpt s ARG 42 Ca -0.14 -1.93 0.00 0.00 -0.52 0.00 0.00 55.73 53.14 1dpt s ARG 42 Cb -0.17 -2.83 0.10 0.00 0.52 0.00 0.00 34.95 32.57 1dpt s ARG 42 CO 0.06 -1.03 0.93 -1.25 0.02 0.00 0.00 175.30 174.03 1dpt s PRO 43 N 0.64 1.95 -1.38 3.54 0.04 -1.26 -1.69 135.00 136.84 1dpt s PRO 43 Ca 0.13 -1.03 0.00 0.00 0.04 0.00 0.00 61.00 60.14 1dpt s PRO 43 Cb -0.21 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1dpt s PRO 43 CO -0.08 -1.22 0.00 0.41 0.04 0.00 0.00 177.00 176.15 1dpt n GLY 44 N -2.68 0.76 3.94 0.56 0.00 0.20 -4.81 105.19 103.16 1dpt n GLY 44 Ca 0.13 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.59 2.98 -0.34 0.99 1.43 -0.72 -4.97 118.68 114.45 1dpt s LEU 45 Ca 0.00 0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.39 1dpt s LEU 45 Cb 0.00 -3.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.07 1dpt s LEU 45 CO 0.00 -1.41 0.23 0.00 0.23 0.00 0.00 176.35 175.40 1dpt s ALA 46 N -3.11 3.45 0.05 4.21 0.00 -1.26 -4.19 121.76 120.91 1dpt s ALA 46 Ca 0.58 -1.44 0.02 0.00 0.00 0.00 0.00 51.96 51.13 1dpt s ALA 46 Cb -0.11 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 1dpt s ALA 46 CO 0.44 -1.03 -0.07 -1.64 0.00 0.00 0.00 175.76 173.45 1dpt s MET 47 N 1.69 0.59 -0.04 0.00 -1.94 -1.26 -5.03 119.30 113.30 1dpt s MET 47 Ca 0.05 -0.88 0.03 0.00 -1.71 0.00 0.00 55.69 53.18 1dpt s MET 47 Cb -0.18 -0.25 0.00 0.00 2.01 0.00 0.00 34.83 36.42 1dpt s MET 47 CO 0.09 0.03 -0.13 0.00 -0.01 0.00 0.00 175.02 175.01 1dpt s ALA 48 N -1.90 1.21 -0.08 3.03 0.00 -1.26 -4.33 121.76 118.43 1dpt s ALA 48 Ca -0.05 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1dpt s ALA 48 Cb -0.06 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.61 1dpt s ALA 48 CO -0.01 0.18 -0.12 -1.17 0.00 0.00 0.00 175.76 174.64 1dpt s LEU 49 N 0.30 1.56 -1.46 0.00 0.20 0.11 -4.67 118.68 114.72 1dpt s LEU 49 Ca -0.07 -0.32 -0.09 0.00 0.69 0.00 0.00 54.13 54.34 1dpt s LEU 49 Cb -0.12 -0.87 0.04 0.00 -0.43 0.00 0.00 46.19 44.81 1dpt s LEU 49 CO 0.02 -0.00 0.86 -1.20 -0.29 0.00 0.00 176.35 175.74 1dpt n SER 50 N 4.11 -5.55 0.00 3.68 7.64 -1.26 -1.51 113.62 120.73 1dpt n SER 50 Ca -0.20 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.17 1dpt n SER 50 Cb 0.51 -4.44 0.00 0.00 -1.01 0.00 0.00 64.21 59.27 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 -1.67 0.61 3.53 0.23 0.00 -1.26 -5.00 105.19 101.64 1dpt n GLY 51 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.60 4.45 -0.01 1.61 0.15 -0.57 -5.02 113.70 111.71 1dpt s SER 52 Ca 0.00 -0.10 0.11 0.00 0.70 0.00 0.00 55.95 56.66 1dpt s SER 52 Cb 0.00 -1.17 0.33 0.00 -1.71 0.00 0.00 66.02 63.47 1dpt s SER 52 CO 0.00 0.33 1.26 0.35 1.20 0.00 0.00 173.24 176.38 1dpt n THR 53 N 2.46 0.56 -1.15 6.45 -2.24 -1.26 -0.72 114.28 118.39 1dpt n THR 53 Ca -0.18 -0.51 -0.33 0.00 -2.27 0.00 0.00 64.05 60.76 1dpt n THR 53 Cb 0.53 0.20 0.12 0.00 -2.10 0.00 0.00 70.33 69.08 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 1.75 0.16 -0.78 0.41 -1.26 -4.86 118.70 112.59 1dpt s GLU 54 Ca 0.25 1.61 -0.33 0.00 -0.41 0.00 0.00 54.97 56.09 1dpt s GLU 54 Cb 0.14 -1.80 -0.16 0.00 -1.78 0.00 0.00 34.13 30.52 1dpt s GLU 54 CO 0.16 -2.10 1.08 -2.30 -0.49 0.00 0.00 175.26 171.61 1dpt n PRO 55 N -3.36 0.90 -3.88 0.39 -0.02 -1.26 -4.81 135.00 122.95 1dpt n PRO 55 Ca 0.12 0.32 -0.09 0.00 -2.02 0.00 0.00 63.50 61.83 1dpt n PRO 55 Cb 0.51 -1.76 -0.00 0.00 -0.02 0.00 0.00 33.50 32.23 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 -2.87 -1.01 -0.09 0.00 0.00 -0.37 -3.45 121.76 113.97 1dpt s ALA 57 Ca 0.18 0.78 0.04 0.00 0.00 0.00 0.00 51.96 52.96 1dpt s ALA 57 Cb -0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 1dpt s ALA 57 CO 0.12 -0.25 -0.23 -0.65 0.00 0.00 0.00 175.76 174.74 1dpt s GLN 58 N -0.73 2.89 -0.05 0.00 -1.52 0.07 -2.59 119.66 117.74 1dpt s GLN 58 Ca -0.08 -0.85 0.06 0.00 -1.95 0.00 0.00 55.36 52.54 1dpt s GLN 58 Cb -0.04 -2.22 -0.01 0.00 -0.22 0.00 0.00 33.01 30.52 1dpt s GLN 58 CO 0.04 0.20 -0.24 -1.17 -0.25 0.00 0.00 175.29 173.86 1dpt s LEU 59 N 0.30 2.05 -0.10 2.90 2.96 -0.39 -0.99 118.68 125.41 1dpt s LEU 59 Ca -0.17 -0.48 0.04 0.00 -0.22 0.00 0.00 54.13 53.30 1dpt s LEU 59 Cb -0.17 -1.31 -0.00 0.00 0.50 0.00 0.00 46.19 45.20 1dpt s LEU 59 CO 0.08 0.25 -0.22 -0.44 -1.32 0.00 0.00 176.35 174.70 1dpt s SER 60 N -0.26 3.24 -0.14 3.68 0.01 0.23 -0.83 113.70 119.61 1dpt s SER 60 Ca 0.00 -0.51 0.01 0.00 1.31 0.00 0.00 55.95 56.76 1dpt s SER 60 Cb -0.12 -1.37 0.02 0.00 0.21 0.00 0.00 66.02 64.76 1dpt s SER 60 CO 0.02 0.17 -0.17 -0.63 0.41 0.00 0.00 173.24 173.05 1dpt s ILE 61 N 0.27 1.71 -0.06 1.44 1.01 0.44 -1.18 121.20 124.82 1dpt s ILE 61 Ca -0.16 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 59.79 1dpt s ILE 61 Cb -0.17 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1dpt s ILE 61 CO 0.08 0.48 -0.17 -0.44 0.00 0.00 0.00 174.94 174.89 1dpt s SER 62 N 1.23 2.25 0.17 3.58 0.01 -0.27 -0.10 113.70 120.56 1dpt s SER 62 Ca 0.00 -0.38 -0.23 0.00 1.31 0.00 0.00 55.95 56.65 1dpt s SER 62 Cb -0.14 -0.87 0.06 0.00 0.21 0.00 0.00 66.02 65.29 1dpt s SER 62 CO -0.08 0.11 0.69 -0.55 0.41 0.00 0.00 173.24 173.83 1dpt s SER 63 N 0.33 -0.44 -0.04 2.44 0.15 -1.02 -0.30 113.70 114.81 1dpt s SER 63 Ca -0.11 -0.17 -0.23 0.00 0.70 0.00 0.00 55.95 56.14 1dpt s SER 63 Cb -0.15 0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 64.72 1dpt s SER 63 CO 0.04 -1.01 0.67 -0.63 1.20 0.00 0.00 173.24 173.51 1dpt s ILE 64 N -3.68 4.99 0.00 6.45 1.01 -1.26 -1.22 121.20 127.49 1dpt s ILE 64 Ca 0.05 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.08 1dpt s ILE 64 Cb -0.02 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.44 1dpt s ILE 64 CO -0.07 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1dpt n GLY 65 N 2.87 0.57 0.82 6.18 0.00 -1.26 -4.72 105.19 109.65 1dpt n GLY 65 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.85 0.00 -2.15 1.61 0.24 -1.26 -4.43 118.33 111.49 1dpt n VAL 66 Ca 0.00 -0.45 -0.10 0.00 -2.04 0.00 0.00 64.34 61.74 1dpt n VAL 66 Cb 0.00 1.43 0.06 0.00 -1.47 0.00 0.00 33.84 33.86 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 1.01 1.97 0.21 3.34 0.24 -1.26 -4.74 118.33 119.10 1dpt n VAL 67 Ca 0.12 -3.47 0.09 0.00 -2.04 0.00 0.00 64.34 59.04 1dpt n VAL 67 Cb 0.54 -0.25 0.16 0.00 -1.47 0.00 0.00 33.84 32.82 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 1.50 3.13 7.63 0.00 -1.26 -4.45 105.19 111.07 1dpt n GLY 68 Ca 0.28 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.22 0.64 0.24 2.61 -4.23 -1.26 -5.05 115.64 107.37 1dpt s THR 69 Ca 0.28 -1.62 -0.05 0.00 -1.18 0.00 0.00 61.69 59.12 1dpt s THR 69 Cb 0.17 -1.29 0.14 0.00 1.34 0.00 0.00 72.50 72.86 1dpt s THR 69 CO 0.23 -0.69 1.78 0.00 -0.54 0.00 0.00 174.62 175.40 1dpt h ALA 70 N 3.53 1.08 -0.47 3.99 0.00 -1.98 -0.55 119.26 124.86 1dpt h ALA 70 Ca -0.36 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 1dpt h ALA 70 Cb 1.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1dpt h ALA 70 CO 0.56 0.62 0.16 0.93 0.00 0.00 0.00 179.25 181.53 1dpt h GLU 71 N 1.00 0.73 0.04 0.00 3.07 -1.99 0.19 114.58 117.62 1dpt h GLU 71 Ca 0.22 -0.15 -0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1dpt h GLU 71 Cb 0.30 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1dpt h GLU 71 CO -0.01 0.68 -0.02 -0.44 -1.40 0.00 0.00 179.01 177.82 1dpt h ASP 72 N 0.63 -0.04 0.32 1.42 3.32 -1.88 -3.14 116.42 117.05 1dpt h ASP 72 Ca 0.16 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 1dpt h ASP 72 Cb 0.24 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1dpt h ASP 72 CO -0.01 0.31 -0.19 0.78 -1.72 0.00 0.00 179.24 178.41 1dpt h ASN 73 N -0.40 0.00 -0.56 6.45 2.35 -0.99 -1.61 115.58 120.82 1dpt h ASN 73 Ca -0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1dpt h ASN 73 Cb 0.37 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 1dpt h ASN 73 CO 0.01 0.19 0.28 -0.09 -1.65 0.00 0.00 177.43 176.17 1dpt h ARG 74 N 0.00 0.80 -0.09 0.81 2.43 -0.56 0.80 114.38 118.56 1dpt h ARG 74 Ca -0.00 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1dpt h ARG 74 Cb 0.41 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1dpt h ARG 74 CO 0.03 0.64 -0.01 0.77 -1.51 0.00 0.00 179.97 179.88 1dpt h SER 75 N 0.75 0.17 -0.54 -3.80 0.02 -1.34 -2.52 113.55 106.30 1dpt h SER 75 Ca 0.19 -0.35 0.05 0.00 -0.84 0.00 0.00 61.79 60.84 1dpt h SER 75 Cb 0.10 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 1dpt h SER 75 CO -0.03 0.48 0.28 0.45 -1.14 0.00 0.00 176.83 176.88 1dpt h HIS 76 N -0.14 0.52 -0.24 3.45 3.86 -1.18 -2.59 115.15 118.82 1dpt h HIS 76 Ca 0.02 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.31 1dpt h HIS 76 Cb 0.40 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 28.67 1dpt h HIS 76 CO 0.05 0.25 -0.06 1.03 0.86 0.00 0.00 177.93 180.05 1dpt h SER 77 N 0.54 -0.23 -0.45 2.45 0.87 -0.77 -0.73 113.55 115.23 1dpt h SER 77 Ca 0.24 0.07 0.09 0.00 -1.23 0.00 0.00 61.79 60.96 1dpt h SER 77 Cb 0.14 0.15 -0.08 0.00 -0.44 0.00 0.00 62.40 62.18 1dpt h SER 77 CO -0.16 -0.08 -0.03 0.00 -0.53 0.00 0.00 176.83 176.02 1dpt h ALA 78 N 1.23 0.38 -0.38 6.23 0.00 -1.07 -0.62 119.26 125.03 1dpt h ALA 78 Ca 0.12 0.14 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 1dpt h ALA 78 Cb 0.18 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1dpt h ALA 78 CO -0.25 -0.41 -0.37 0.45 0.00 0.00 0.00 179.25 178.67 1dpt h HIS 79 N 0.08 1.10 -0.21 0.00 3.86 -1.19 -2.26 115.15 116.53 1dpt h HIS 79 Ca 0.22 -0.32 -0.12 0.00 -1.16 0.00 0.00 60.37 58.99 1dpt h HIS 79 Cb 0.33 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1dpt h HIS 79 CO -0.32 1.15 -0.39 0.74 0.86 0.00 0.00 177.93 179.97 1dpt h PHE 80 N 0.76 0.56 -0.59 2.45 0.04 -0.85 -1.66 116.94 117.65 1dpt h PHE 80 Ca 0.06 -0.16 -0.08 0.00 2.80 0.00 0.00 57.97 60.59 1dpt h PHE 80 Cb 0.96 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.97 1dpt h PHE 80 CO 0.06 0.80 0.04 0.74 -0.60 0.00 0.00 178.31 179.35 1dpt h PHE 81 N 0.40 1.10 -0.44 -0.55 -1.00 -1.04 -0.21 116.94 115.20 1dpt h PHE 81 Ca 0.04 -0.18 -0.00 0.00 2.81 0.00 0.00 57.97 60.64 1dpt h PHE 81 Cb 0.86 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 40.10 1dpt h PHE 81 CO 0.03 0.97 0.26 1.49 -1.61 0.00 0.00 178.31 179.45 1dpt h GLU 82 N 0.92 0.60 -0.35 1.51 4.57 -1.14 -0.51 114.58 120.18 1dpt h GLU 82 Ca 0.17 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1dpt h GLU 82 Cb 0.50 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1dpt h GLU 82 CO 0.02 0.45 -0.02 0.35 -1.18 0.00 0.00 179.01 178.63 1dpt h PHE 83 N 0.58 0.69 -0.23 0.92 3.57 -1.04 -3.06 116.94 118.38 1dpt h PHE 83 Ca 0.16 -0.13 -0.16 0.00 3.53 0.00 0.00 57.97 61.37 1dpt h PHE 83 Cb 0.00 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.57 1dpt h PHE 83 CO -0.03 0.75 -0.48 -0.07 -2.23 0.00 0.00 178.31 176.24 1dpt h LEU 84 N 0.44 0.82 -1.45 0.59 3.38 -0.90 -1.50 115.31 116.69 1dpt h LEU 84 Ca 0.10 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1dpt h LEU 84 Cb 0.48 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1dpt h LEU 84 CO 0.02 1.22 0.15 0.71 0.09 0.00 0.00 178.44 180.63 1dpt h THR 85 N 0.46 1.14 -0.00 0.22 1.35 -1.17 0.68 112.91 115.59 1dpt h THR 85 Ca 0.01 -0.45 -0.03 0.00 -0.55 0.00 0.00 66.41 65.39 1dpt h THR 85 Cb 1.09 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1dpt h THR 85 CO 0.11 0.17 -0.12 0.50 -0.25 0.00 0.00 175.52 175.93 1dpt h LYS 86 N 0.52 0.08 -0.48 4.72 3.64 -1.47 -1.30 116.57 122.28 1dpt h LYS 86 Ca 0.13 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1dpt h LYS 86 Cb 0.11 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1dpt h LYS 86 CO -0.01 0.84 0.02 0.93 -2.27 0.00 0.00 179.45 178.96 1dpt h GLU 87 N -0.64 0.84 -0.02 1.90 4.39 -1.07 -3.20 114.58 116.78 1dpt h GLU 87 Ca -0.01 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1dpt h GLU 87 Cb 0.88 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1dpt h GLU 87 CO 0.02 0.87 -0.27 1.28 -1.16 0.00 0.00 179.01 179.76 1dpt n LEU 88 N -4.37 2.03 -3.55 1.33 4.77 0.21 -4.71 117.00 112.72 1dpt n LEU 88 Ca 0.01 -0.70 -0.19 0.00 -0.03 0.00 0.00 56.01 55.10 1dpt n LEU 88 Cb 0.29 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.43 1dpt n LEU 88 CO 0.42 0.36 0.04 0.00 -1.33 0.00 0.00 177.39 176.88 1dpt n ALA 89 N 0.22 -1.98 -2.43 -1.18 0.00 -0.53 -5.00 120.51 109.62 1dpt n ALA 89 Ca 0.12 -0.09 -0.28 0.00 0.00 0.00 0.00 53.44 53.20 1dpt n ALA 89 Cb 0.47 -2.35 -0.12 0.00 0.00 0.00 0.00 19.45 17.44 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 -6.53 2.45 0.63 0.00 1.43 -0.99 -5.05 118.68 110.63 1dpt s LEU 90 Ca 0.03 -0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 52.22 1dpt s LEU 90 Cb -0.01 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 1dpt s LEU 90 CO 0.77 0.14 1.04 -0.83 0.23 0.00 0.00 176.35 177.69 1dpt s GLY 91 N -2.48 1.65 0.59 -3.19 0.00 -1.26 -4.47 107.32 98.15 1dpt s GLY 91 Ca 0.19 -0.17 0.30 0.00 0.00 0.00 0.00 44.72 45.04 1dpt s GLY 91 CO 0.09 0.12 2.24 1.46 0.00 0.00 0.00 173.10 177.02 1dpt h GLN 92 N -0.37 0.00 0.00 2.90 4.20 -1.95 -1.16 115.11 118.72 1dpt h GLN 92 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1dpt h GLN 92 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1dpt h GLN 92 CO 0.62 0.01 0.00 -0.25 -0.67 0.00 0.00 178.83 178.55 1dpt n ASP 93 N -3.79 0.00 -1.17 1.46 8.00 -1.26 -3.40 116.55 116.38 1dpt n ASP 93 Ca -0.03 0.13 0.08 0.00 0.71 0.00 0.00 54.79 55.68 1dpt n ASP 93 Cb 0.10 -0.37 0.29 0.00 -0.02 0.00 0.00 41.12 41.11 1dpt n ASP 93 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1dpt n ARG 94 N -1.37 3.42 -4.35 -1.24 5.12 -0.44 -4.93 116.66 112.87 1dpt n ARG 94 Ca 0.11 -2.74 -0.18 0.00 -1.93 0.00 0.00 57.85 53.10 1dpt n ARG 94 Cb 0.26 -1.80 -0.14 0.00 -1.16 0.00 0.00 32.46 29.61 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 -2.18 0.72 0.03 0.55 1.01 -1.22 -1.24 121.20 118.88 1dpt s ILE 95 Ca 0.43 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.65 1dpt s ILE 95 Cb 0.30 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 42.14 1dpt s ILE 95 CO 0.16 0.17 -0.06 -0.76 0.00 0.00 0.00 174.94 174.44 1dpt s LEU 96 N -0.32 2.18 0.02 2.97 1.43 -1.07 -5.01 118.68 118.89 1dpt s LEU 96 Ca 0.03 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 52.78 1dpt s LEU 96 Cb -0.04 -0.16 -0.02 0.00 0.03 0.00 0.00 46.19 46.00 1dpt s LEU 96 CO -0.00 -0.14 -0.17 -0.63 0.23 0.00 0.00 176.35 175.64 1dpt s ILE 97 N -1.01 1.37 -0.05 -0.59 1.01 -1.26 -1.26 121.20 119.41 1dpt s ILE 97 Ca -0.07 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 59.71 1dpt s ILE 97 Cb -0.08 -1.18 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 1dpt s ILE 97 CO 0.00 0.23 -0.22 -0.13 0.00 0.00 0.00 174.94 174.83 1dpt s ARG 98 N -0.81 2.20 -0.12 2.79 0.52 -0.01 -4.97 118.95 118.55 1dpt s ARG 98 Ca 0.06 -0.78 -0.02 0.00 -0.52 0.00 0.00 55.73 54.47 1dpt s ARG 98 Cb -0.07 -1.89 -0.03 0.00 0.52 0.00 0.00 34.95 33.48 1dpt s ARG 98 CO 0.01 0.33 -0.05 -0.06 0.02 0.00 0.00 175.30 175.55 1dpt s PHE 99 N -0.09 3.01 -0.20 -0.53 0.08 -1.26 -0.42 117.98 118.57 1dpt s PHE 99 Ca -0.03 -0.14 -0.02 0.00 0.12 0.00 0.00 56.93 56.86 1dpt s PHE 99 Cb -0.13 -1.85 0.06 0.00 -0.57 0.00 0.00 43.02 40.53 1dpt s PHE 99 CO 0.03 0.15 0.01 -0.06 -0.10 0.00 0.00 175.22 175.25 1dpt s PHE 100 N -0.19 1.37 0.42 0.36 0.08 0.85 -4.96 117.98 115.92 1dpt s PHE 100 Ca 0.03 -1.06 -0.24 0.00 0.12 0.00 0.00 56.93 55.78 1dpt s PHE 100 Cb -0.13 -1.17 -0.08 0.00 -0.57 0.00 0.00 43.02 41.08 1dpt s PHE 100 CO 0.02 -0.64 1.18 -2.14 -0.10 0.00 0.00 175.22 173.54 1dpt s PRO 101 N 1.74 3.93 0.24 0.24 0.02 -1.26 -2.43 135.00 137.47 1dpt s PRO 101 Ca -0.02 1.83 0.07 0.00 0.02 0.00 0.00 61.00 62.91 1dpt s PRO 101 Cb -0.17 -2.57 -0.05 0.00 0.02 0.00 0.00 34.50 31.73 1dpt s PRO 101 CO -0.07 -0.42 -0.11 -0.51 -0.33 0.00 0.00 177.00 175.55 1dpt s LEU 102 N -2.71 2.52 0.23 -5.54 1.43 -0.35 -4.85 118.68 109.41 1dpt s LEU 102 Ca 0.60 -1.09 0.11 0.00 -1.03 0.00 0.00 54.13 52.72 1dpt s LEU 102 Cb -0.30 -0.66 -0.05 0.00 0.03 0.00 0.00 46.19 45.21 1dpt s LEU 102 CO 0.38 -0.24 -0.20 -1.61 0.23 0.00 0.00 176.35 174.91 1dpt s GLU 103 N -3.68 1.66 0.46 1.70 2.02 -1.26 -4.23 118.70 115.38 1dpt s GLU 103 Ca 0.26 -1.60 0.14 0.00 0.02 0.00 0.00 54.97 53.79 1dpt s GLU 103 Cb 0.01 -1.85 1.10 0.00 0.10 0.00 0.00 34.13 33.48 1dpt s GLU 103 CO 0.09 0.37 2.05 0.66 0.02 0.00 0.00 175.26 178.45 1dpt h SER 104 N 2.75 0.25 0.36 -0.19 4.64 -1.96 -1.10 113.55 118.30 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 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1dpt h SER 104 CO 0.54 0.16 0.00 -2.67 -0.87 0.00 0.00 176.83 173.99 1dpt n TRP 105 N -4.48 0.00 1.06 4.77 4.27 -1.26 -2.48 117.44 119.32 1dpt n TRP 105 Ca 0.05 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.77 1dpt n TRP 105 Cb 0.25 -0.29 0.10 0.00 -1.36 0.00 0.00 31.31 30.00 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 -1.29 0.57 -3.86 -2.67 6.02 -0.41 -4.87 117.38 110.86 1dpt n GLN 106 Ca 0.09 -0.43 -0.36 0.00 -0.01 0.00 0.00 57.00 56.29 1dpt n GLN 106 Cb 0.15 -1.49 -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 -2.72 3.43 -0.18 5.09 1.01 -1.04 -5.02 121.20 121.78 1dpt s ILE 107 Ca 0.16 -0.82 -0.22 0.00 0.00 0.00 0.00 60.65 59.76 1dpt s ILE 107 Cb 0.18 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 1dpt s ILE 107 CO 0.66 0.16 0.70 -0.83 0.00 0.00 0.00 174.94 175.64 1dpt s GLY 108 N 1.42 2.12 -0.01 6.18 0.00 -1.26 -0.82 107.32 114.95 1dpt s GLY 108 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.60 1dpt s GLY 108 CO -0.01 1.41 0.01 1.25 0.00 0.00 0.00 173.10 175.75 1dpt s LYS 109 N 1.87 0.04 -1.28 2.90 2.20 -0.14 -4.90 119.74 120.44 1dpt s LYS 109 Ca 0.33 0.06 -0.00 0.00 -0.36 0.00 0.00 55.97 56.00 1dpt s LYS 109 Cb -0.16 -0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.00 1dpt s LYS 109 CO 0.12 -0.06 0.00 0.44 -0.36 0.00 0.00 175.35 175.49 1dpt n ILE 110 N 3.56 -0.82 -1.00 5.43 -5.35 -1.26 -1.06 119.36 118.86 1dpt n ILE 110 Ca -0.19 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 1dpt n ILE 110 Cb 0.55 -0.82 0.00 0.00 -1.74 0.00 0.00 39.64 37.64 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 -2.30 0.47 0.00 3.28 0.00 -1.26 -4.98 105.19 100.40 1dpt n GLY 111 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.93 0.00 -4.42 2.61 5.66 -0.22 -5.17 114.28 109.80 1dpt n THR 112 Ca 0.00 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 1dpt n THR 112 Cb 0.03 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.70 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 -1.49 2.28 0.66 1.08 -7.23 -1.26 -0.97 120.40 113.47 1dpt s VAL 113 Ca 0.00 -2.20 0.41 0.00 -1.81 0.00 0.00 61.98 58.37 1dpt s VAL 113 Cb 0.00 -2.16 0.41 0.00 0.56 0.00 0.00 36.38 35.19 1dpt s VAL 113 CO 0.00 -0.32 2.26 0.24 -0.31 0.00 0.00 175.10 176.98 1dpt h MET 114 N 2.73 0.00 -0.43 4.82 0.00 -0.88 -1.75 114.93 119.41 1dpt h MET 114 Ca -0.42 0.00 0.09 0.00 0.00 0.00 0.00 59.70 59.37 1dpt h MET 114 Cb 1.23 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 32.81 1dpt h MET 114 CO 0.55 0.00 0.30 1.15 0.00 0.00 0.00 176.91 178.91 1dpt h THR 115 N 0.00 0.86 -0.58 2.22 2.02 -1.84 -2.24 112.91 113.35 1dpt h THR 115 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1dpt h THR 115 Cb 0.17 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 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 -4.45 1.13 0.11 3.16 3.72 -0.66 -5.07 117.46 115.40 1dpt n PHE 116 Ca 0.07 -0.59 0.01 0.00 -0.05 0.00 0.00 57.45 56.89 1dpt n PHE 116 Cb 0.39 -0.15 0.01 0.00 -0.94 0.00 0.00 39.48 38.79 1dpt n PHE 116 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99