#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1seh s MET 2 N 0.00 2.59 -0.07 0.03 1.00 -1.26 -5.13 119.30 116.46 1seh s MET 2 Ca 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 55.69 54.90 1seh s MET 2 Cb 0.00 -2.55 0.03 0.00 0.00 0.00 0.00 34.83 32.31 1seh s MET 2 CO 0.00 0.58 0.15 0.21 0.00 0.00 0.00 175.02 175.96 1seh s LYS 3 N -1.85 0.11 0.04 2.03 2.36 -1.26 -5.13 119.74 116.04 1seh s LYS 3 Ca 0.21 0.35 -0.29 0.00 -2.55 0.00 0.00 55.97 53.69 1seh s LYS 3 Cb -0.11 -0.13 -0.04 0.00 -1.05 0.00 0.00 37.83 36.49 1seh s LYS 3 CO 0.13 -0.14 0.92 0.15 1.55 0.00 0.00 175.35 177.96 1seh s LYS 4 N 0.99 4.60 -0.09 4.03 1.02 -1.26 -5.05 119.74 123.97 1seh s LYS 4 Ca -0.08 1.35 0.01 0.00 0.02 0.00 0.00 55.97 57.27 1seh s LYS 4 Cb -0.10 -3.42 0.02 0.00 -0.52 0.00 0.00 37.83 33.82 1seh s LYS 4 CO -0.05 0.10 -0.10 0.42 -0.92 0.00 0.00 175.35 174.80 1seh s ILE 5 N 0.48 1.07 0.27 2.17 1.01 -1.26 -5.05 121.20 119.89 1seh s ILE 5 Ca 0.47 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 1seh s ILE 5 Cb -0.22 -1.04 -0.11 0.00 0.01 0.00 0.00 42.46 41.11 1seh s ILE 5 CO 0.27 0.36 1.49 -1.81 0.00 0.00 0.00 174.94 175.26 1seh s ASP 6 N 1.18 6.55 -0.01 3.58 1.01 -1.25 -4.92 116.67 122.82 1seh s ASP 6 Ca -0.05 2.78 0.02 0.00 0.71 0.00 0.00 52.55 56.01 1seh s ASP 6 Cb -0.14 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.16 1seh s ASP 6 CO -0.02 -0.78 -0.07 0.68 0.21 0.00 0.00 175.17 175.19 1seh s VAL 7 N -0.04 0.56 -0.16 -1.27 -7.23 -1.26 -1.11 120.40 109.88 1seh s VAL 7 Ca 0.60 -0.29 -0.02 0.00 -1.81 0.00 0.00 61.98 60.46 1seh s VAL 7 Cb -0.44 -0.48 -0.02 0.00 0.56 0.00 0.00 36.38 36.00 1seh s VAL 7 CO 0.45 0.16 -0.08 -0.75 -0.31 0.00 0.00 175.10 174.58 1seh s LYS 8 N -0.10 3.47 -0.31 4.82 2.20 0.47 -4.99 119.74 125.30 1seh s LYS 8 Ca 0.02 -0.62 -0.24 0.00 -0.36 0.00 0.00 55.97 54.77 1seh s LYS 8 Cb -0.03 -2.83 0.00 0.00 -1.51 0.00 0.00 37.83 33.46 1seh s LYS 8 CO -0.00 0.11 0.82 0.42 -0.36 0.00 0.00 175.35 176.33 1seh s ILE 9 N 0.67 4.76 -0.12 5.43 1.01 -1.26 -1.29 121.20 130.40 1seh s ILE 9 Ca -0.04 1.22 0.18 0.00 0.00 0.00 0.00 60.65 62.01 1seh s ILE 9 Cb -0.15 -4.18 -0.20 0.00 0.01 0.00 0.00 42.46 37.94 1seh s ILE 9 CO 0.02 -0.29 0.57 0.18 0.00 0.00 0.00 174.94 175.42 1seh n LEU 10 N 6.30 0.49 -4.10 2.97 4.77 0.22 -4.84 117.00 122.82 1seh n LEU 10 Ca 0.05 0.22 -0.30 0.00 -0.03 0.00 0.00 56.01 55.95 1seh n LEU 10 Cb 0.48 0.17 -0.17 0.00 -2.33 0.00 0.00 43.42 41.58 1seh n LEU 10 CO 0.52 0.22 -0.51 -0.62 -1.33 0.00 0.00 177.39 175.66 1seh s ASP 11 N -5.50 2.64 0.00 -1.43 -1.08 -1.06 -5.00 116.67 105.24 1seh s ASP 11 Ca -0.06 -0.48 0.11 0.00 -0.52 0.00 0.00 52.55 51.60 1seh s ASP 11 Cb 0.09 -1.20 0.51 0.00 -1.46 0.00 0.00 42.92 40.86 1seh s ASP 11 CO 0.83 0.04 1.28 -0.81 0.52 0.00 0.00 175.17 177.04 1seh n PRO 12 N 4.11 0.09 0.20 4.34 -0.04 -1.26 -1.17 135.00 141.27 1seh n PRO 12 Ca -0.19 0.24 0.08 0.00 -0.04 0.00 0.00 63.50 63.58 1seh n PRO 12 Cb 0.51 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.79 1seh n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1seh h ARG 13 N 0.00 0.00 -6.34 0.54 3.08 -1.95 -3.42 114.38 106.29 1seh h ARG 13 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 1seh h ARG 13 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1seh h ARG 13 CO 0.00 0.29 0.76 0.08 -1.07 0.00 0.00 179.97 180.03 1seh s VAL 14 N -3.44 4.02 0.00 2.04 1.01 -0.31 -0.99 120.40 122.72 1seh s VAL 14 Ca 0.02 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1seh s VAL 14 Cb 0.09 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1seh s VAL 14 CO 0.67 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1seh n GLY 15 N 3.49 0.85 0.00 4.51 0.00 0.11 -4.88 105.19 109.27 1seh n GLY 15 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1seh n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1seh n LYS 16 N -2.00 0.00 -0.07 1.61 5.02 -0.33 -4.78 118.16 117.61 1seh n LYS 16 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 1seh n LYS 16 Cb 0.00 0.00 0.32 0.00 -0.02 0.00 0.00 35.03 35.33 1seh n LYS 16 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1seh h GLU 17 N 0.00 0.69 -4.23 1.97 3.07 -1.62 -3.33 114.58 111.13 1seh h GLU 17 Ca 0.00 -0.08 -0.70 0.00 -0.50 0.00 0.00 59.36 58.08 1seh h GLU 17 Cb 0.00 -0.14 -0.34 0.00 -0.84 0.00 0.00 28.75 27.44 1seh h GLU 17 CO 0.00 0.53 -0.46 -0.06 -1.40 0.00 0.00 179.01 177.62 1seh s PHE 18 N -5.43 3.52 0.35 4.33 2.99 -0.16 -4.93 117.98 118.64 1seh s PHE 18 Ca -0.09 -2.38 -0.27 0.00 0.00 0.00 0.00 56.93 54.19 1seh s PHE 18 Cb 0.17 -3.28 -0.12 0.00 0.00 0.00 0.00 43.02 39.78 1seh s PHE 18 CO 0.76 -0.95 1.19 -2.30 -0.00 0.00 0.00 175.22 173.92 1seh n PRO 19 N 4.39 1.83 -1.69 0.24 -0.02 -1.25 -0.71 135.00 137.79 1seh n PRO 19 Ca -0.01 0.64 -0.39 0.00 -2.02 0.00 0.00 63.50 61.73 1seh n PRO 19 Cb 0.40 -2.18 0.04 0.00 -0.02 0.00 0.00 33.50 31.75 1seh n PRO 19 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1seh n LEU 20 N 0.79 4.72 -4.69 2.45 4.77 -1.26 -4.60 117.00 119.17 1seh n LEU 20 Ca 0.07 0.93 -0.44 0.00 -0.03 0.00 0.00 56.01 56.53 1seh n LEU 20 Cb 0.36 -1.50 -0.02 0.00 -2.33 0.00 0.00 43.42 39.93 1seh n LEU 20 CO 0.61 -1.07 1.05 -2.65 -1.33 0.00 0.00 177.39 173.99 1seh n PRO 21 N -0.95 2.20 -4.14 3.23 -0.02 -1.26 -4.98 135.00 129.08 1seh n PRO 21 Ca 0.12 0.78 -0.11 0.00 -2.02 0.00 0.00 63.50 62.27 1seh n PRO 21 Cb 0.45 -2.46 -0.10 0.00 -0.02 0.00 0.00 33.50 31.37 1seh n PRO 21 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1seh s THR 22 N -0.22 0.65 -0.01 3.45 -4.23 -1.26 -4.96 115.64 109.06 1seh s THR 22 Ca 0.65 -1.72 -0.30 0.00 -1.18 0.00 0.00 61.69 59.14 1seh s THR 22 Cb -0.60 -1.41 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 1seh s THR 22 CO 0.51 -0.75 1.03 -0.31 -0.54 0.00 0.00 174.62 174.56 1seh s TYR 23 N -3.07 3.59 0.19 3.99 1.51 -1.26 -4.00 117.35 118.31 1seh s TYR 23 Ca 0.06 1.60 -0.08 0.00 -1.01 0.00 0.00 57.07 57.65 1seh s TYR 23 Cb 0.01 -3.19 0.11 0.00 -0.11 0.00 0.00 41.96 38.79 1seh s TYR 23 CO -0.04 -0.29 1.66 0.00 -1.11 0.00 0.00 175.55 175.77 1seh h ALA 24 N 6.87 0.87 -2.39 3.71 0.00 -1.94 -3.45 119.26 122.93 1seh h ALA 24 Ca -0.39 -0.31 -0.29 0.00 0.00 0.00 0.00 54.91 53.91 1seh h ALA 24 Cb 1.21 -0.22 -0.15 0.00 0.00 0.00 0.00 17.79 18.63 1seh h ALA 24 CO 0.78 0.66 -0.63 0.95 0.00 0.00 0.00 179.25 181.01 1seh s THR 25 N -4.99 0.41 0.50 0.00 -4.23 -1.26 -5.03 115.64 101.03 1seh s THR 25 Ca -0.11 -1.99 0.30 0.00 -1.18 0.00 0.00 61.69 58.71 1seh s THR 25 Cb 0.14 -2.43 0.33 0.00 1.34 0.00 0.00 72.50 71.88 1seh s THR 25 CO 0.85 -0.15 2.17 0.77 -0.54 0.00 0.00 174.62 177.73 1seh h SER 26 N 2.55 0.00 -0.57 3.99 4.64 -2.04 -2.29 113.55 119.83 1seh h SER 26 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1seh h SER 26 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1seh h SER 26 CO 0.59 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.22 1seh n GLY 27 N -0.97 2.36 3.75 -0.77 0.00 -1.26 -4.98 105.19 103.32 1seh n GLY 27 Ca -0.02 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 1seh n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1seh s SER 28 N -1.08 7.12 0.09 1.61 0.01 -0.86 -4.95 113.70 115.63 1seh s SER 28 Ca 0.41 2.33 0.13 0.00 1.31 0.00 0.00 55.95 60.12 1seh s SER 28 Cb 0.22 -2.62 -0.14 0.00 0.21 0.00 0.00 66.02 63.68 1seh s SER 28 CO 0.29 -0.29 1.02 0.00 0.41 0.00 0.00 173.24 174.66 1seh h ALA 29 N 4.28 0.61 -2.16 1.44 0.00 -1.93 -3.48 119.26 118.02 1seh h ALA 29 Ca -0.46 -0.96 -0.45 0.00 0.00 0.00 0.00 54.91 53.04 1seh h ALA 29 Cb 1.21 0.16 -0.14 0.00 0.00 0.00 0.00 17.79 19.02 1seh h ALA 29 CO 0.70 1.14 -0.70 0.20 0.00 0.00 0.00 179.25 180.59 1seh s GLY 30 N -4.80 1.58 0.03 0.00 0.00 -1.26 -4.53 107.32 98.35 1seh s GLY 30 Ca -0.01 -1.76 0.06 0.00 0.00 0.00 0.00 44.72 43.01 1seh s GLY 30 CO 0.80 -1.76 -0.16 0.48 0.00 0.00 0.00 173.10 172.46 1seh s LEU 31 N -3.35 2.70 0.07 0.66 0.05 -0.19 -4.59 118.68 114.03 1seh s LEU 31 Ca 0.26 -0.37 -0.22 0.00 0.05 0.00 0.00 54.13 53.85 1seh s LEU 31 Cb 0.02 -1.57 -0.06 0.00 -2.05 0.00 0.00 46.19 42.53 1seh s LEU 31 CO 0.09 0.27 0.65 -1.81 -0.55 0.00 0.00 176.35 174.99 1seh s ASP 32 N -1.39 7.13 -0.10 1.48 1.01 -1.26 -0.23 116.67 123.32 1seh s ASP 32 Ca 0.15 1.34 -0.04 0.00 0.71 0.00 0.00 52.55 54.71 1seh s ASP 32 Cb -0.11 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 1seh s ASP 32 CO 0.05 0.18 0.07 -0.76 0.21 0.00 0.00 175.17 174.92 1seh s LEU 33 N -0.72 3.98 0.14 1.23 1.43 -0.10 -4.28 118.68 120.36 1seh s LEU 33 Ca 0.32 0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.80 1seh s LEU 33 Cb -0.20 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1seh s LEU 33 CO 0.21 0.39 -0.03 -0.13 0.23 0.00 0.00 176.35 177.02 1seh s ARG 34 N -0.96 2.35 -0.26 1.70 0.52 -1.26 -0.76 118.95 120.27 1seh s ARG 34 Ca 0.14 -1.04 -0.29 0.00 -0.52 0.00 0.00 55.73 54.02 1seh s ARG 34 Cb -0.12 -2.37 -0.00 0.00 0.52 0.00 0.00 34.95 32.98 1seh s ARG 34 CO 0.03 0.48 1.27 0.00 0.02 0.00 0.00 175.30 177.11 1seh s ALA 35 N -1.53 3.45 -0.83 2.13 0.00 -0.25 -4.47 121.76 120.26 1seh s ALA 35 Ca 0.26 0.19 -0.15 0.00 0.00 0.00 0.00 51.96 52.25 1seh s ALA 35 Cb -0.10 -3.72 0.19 0.00 0.00 0.00 0.00 23.12 19.49 1seh s ALA 35 CO 0.17 -1.59 0.84 0.00 0.00 0.00 0.00 175.76 175.18 1seh s LEU 37 N 0.88 2.36 0.09 0.00 1.43 -1.26 -4.38 118.68 117.79 1seh s LEU 37 Ca 0.21 -0.74 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 1seh s LEU 37 Cb -0.10 -0.50 -0.25 0.00 0.03 0.00 0.00 46.19 45.37 1seh s LEU 37 CO -0.08 -0.14 1.17 0.78 0.23 0.00 0.00 176.35 178.32 1seh h ASN 38 N 3.79 0.40 -5.19 2.29 2.35 -2.00 -3.43 115.58 113.78 1seh h ASN 38 Ca -0.40 -0.41 -0.10 0.00 -0.55 0.00 0.00 56.30 54.84 1seh h ASN 38 Cb 1.19 -0.13 -0.14 0.00 0.05 0.00 0.00 38.32 39.29 1seh h ASN 38 CO 0.47 1.31 -0.44 -1.81 -1.65 0.00 0.00 177.43 175.31 1seh s ASP 39 N -7.11 0.20 0.58 5.81 1.11 -1.26 -4.99 116.67 111.01 1seh s ASP 39 Ca -0.04 -0.77 -0.20 0.00 0.18 0.00 0.00 52.55 51.72 1seh s ASP 39 Cb 0.08 0.32 -0.04 0.00 1.07 0.00 0.00 42.92 44.34 1seh s ASP 39 CO 0.88 -0.71 1.32 0.00 1.18 0.00 0.00 175.17 177.83 1seh n ALA 40 N -0.04 1.38 -3.74 5.23 0.00 -1.26 -4.60 120.51 117.48 1seh n ALA 40 Ca -0.14 0.08 -0.34 0.00 0.00 0.00 0.00 53.44 53.05 1seh n ALA 40 Cb 0.62 -2.33 -0.15 0.00 0.00 0.00 0.00 19.45 17.58 1seh n ALA 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1seh s VAL 41 N -1.33 2.59 -0.08 0.00 1.01 -0.24 -4.96 120.40 117.39 1seh s VAL 41 Ca 0.75 -0.77 -0.25 0.00 0.00 0.00 0.00 61.98 61.71 1seh s VAL 41 Cb -0.41 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1seh s VAL 41 CO 0.46 0.50 0.79 -0.70 0.00 0.00 0.00 175.10 176.15 1seh s GLU 42 N 1.18 4.42 -0.31 2.72 2.56 -1.26 -0.17 118.70 127.85 1seh s GLU 42 Ca 0.02 1.02 0.01 0.00 0.00 0.00 0.00 54.97 56.02 1seh s GLU 42 Cb -0.14 -3.48 0.07 0.00 2.00 0.00 0.00 34.13 32.57 1seh s GLU 42 CO -0.06 -0.06 -0.01 -1.17 -0.56 0.00 0.00 175.26 173.40 1seh s LEU 43 N 1.21 4.06 0.65 2.70 2.96 0.88 -4.97 118.68 126.16 1seh s LEU 43 Ca 0.40 -1.58 -0.14 0.00 -0.22 0.00 0.00 54.13 52.59 1seh s LEU 43 Cb -0.18 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 1seh s LEU 43 CO 0.18 -0.29 1.08 0.00 -1.32 0.00 0.00 176.35 176.00 1seh s ALA 44 N 1.11 2.60 0.16 5.97 0.00 -1.26 -1.53 121.76 128.81 1seh s ALA 44 Ca -0.02 0.36 -0.34 0.00 0.00 0.00 0.00 51.96 51.97 1seh s ALA 44 Cb -0.20 -3.25 -0.15 0.00 0.00 0.00 0.00 23.12 19.52 1seh s ALA 44 CO -0.04 -1.12 1.35 -2.30 0.00 0.00 0.00 175.76 173.65 1seh n PRO 45 N -2.50 1.55 0.00 0.00 -0.02 -1.26 -1.64 135.00 131.13 1seh n PRO 45 Ca 0.09 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1seh n PRO 45 Cb 0.53 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1seh n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1seh n GLY 46 N 2.49 2.27 3.91 -1.23 0.00 0.63 -5.02 105.19 108.23 1seh n GLY 46 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1seh n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1seh s ASP 47 N -2.14 6.36 0.03 1.61 -0.00 -0.65 -4.80 116.67 117.08 1seh s ASP 47 Ca 0.00 0.75 0.07 0.00 -0.00 0.00 0.00 52.55 53.37 1seh s ASP 47 Cb 0.00 -2.16 -0.02 0.00 -0.00 0.00 0.00 42.92 40.73 1seh s ASP 47 CO 0.00 -0.35 -0.21 -0.89 -0.00 0.00 0.00 175.17 173.72 1seh s THR 48 N -2.36 1.71 0.00 -1.27 2.01 -1.26 -1.22 115.64 113.26 1seh s THR 48 Ca 0.45 -1.15 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 1seh s THR 48 Cb -0.10 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.93 1seh s THR 48 CO 0.36 0.28 0.03 0.28 -0.69 0.00 0.00 174.62 174.88 1seh s THR 49 N -0.73 0.06 -0.27 -0.82 -1.32 0.12 -4.98 115.64 107.69 1seh s THR 49 Ca 0.08 -0.47 -0.16 0.00 -1.21 0.00 0.00 61.69 59.93 1seh s THR 49 Cb -0.09 -0.21 -0.03 0.00 -1.51 0.00 0.00 72.50 70.67 1seh s THR 49 CO 0.01 -0.26 0.43 -0.22 -2.21 0.00 0.00 174.62 172.38 1seh s LEU 50 N -0.78 4.07 -0.20 9.08 2.96 -1.26 -0.67 118.68 131.88 1seh s LEU 50 Ca -0.09 0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 54.12 1seh s LEU 50 Cb -0.05 -2.51 -0.02 0.00 0.50 0.00 0.00 46.19 44.11 1seh s LEU 50 CO -0.00 -0.24 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.07 1seh s VAL 51 N 2.17 3.66 0.57 1.68 1.01 0.48 -4.93 120.40 125.04 1seh s VAL 51 Ca 0.17 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 1seh s VAL 51 Cb -0.16 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 1seh s VAL 51 CO 0.10 0.44 1.06 -2.84 0.00 0.00 0.00 175.10 173.85 1seh s PRO 52 N 1.08 3.40 -0.02 2.72 0.02 -1.26 -0.72 135.00 140.23 1seh s PRO 52 Ca 0.02 1.24 0.20 0.00 0.02 0.00 0.00 61.00 62.47 1seh s PRO 52 Cb -0.15 -2.04 -0.27 0.00 0.02 0.00 0.00 34.50 32.06 1seh s PRO 52 CO 0.01 -0.75 0.60 0.25 -0.33 0.00 0.00 177.00 176.78 1seh n THR 53 N -1.83 0.00 -1.08 0.99 -2.24 -1.02 -0.99 114.28 108.11 1seh n THR 53 Ca 0.09 -0.29 -0.03 0.00 -2.27 0.00 0.00 64.05 61.55 1seh n THR 53 Cb 0.53 0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 69.18 1seh n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1seh n GLY 54 N 1.40 0.58 3.17 3.38 0.00 -1.26 -4.54 105.19 107.91 1seh n GLY 54 Ca -0.01 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 1seh n GLY 54 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1seh s LEU 55 N -0.64 1.67 0.05 0.99 0.05 -1.26 -0.61 118.68 118.93 1seh s LEU 55 Ca 0.00 -0.66 0.06 0.00 0.05 0.00 0.00 54.13 53.58 1seh s LEU 55 Cb 0.00 0.81 -0.02 0.00 -2.05 0.00 0.00 46.19 44.92 1seh s LEU 55 CO 0.00 -0.65 -0.17 0.00 -0.55 0.00 0.00 176.35 174.99 1seh s ALA 56 N -3.50 1.40 0.26 1.48 0.00 -0.41 -0.90 121.76 120.09 1seh s ALA 56 Ca 0.02 -0.96 0.11 0.00 0.00 0.00 0.00 51.96 51.13 1seh s ALA 56 Cb 0.04 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 1seh s ALA 56 CO -0.09 0.28 -0.19 0.96 0.00 0.00 0.00 175.76 176.72 1seh s ILE 57 N -0.92 2.26 -0.33 0.00 -4.36 -1.26 -0.39 121.20 116.20 1seh s ILE 57 Ca 0.03 -2.34 -0.01 0.00 -0.26 0.00 0.00 60.65 58.07 1seh s ILE 57 Cb -0.09 -2.22 0.11 0.00 1.25 0.00 0.00 42.46 41.51 1seh s ILE 57 CO 0.02 -0.44 0.13 -2.28 0.24 0.00 0.00 174.94 172.61 1seh s HIS 58 N -2.60 1.34 0.15 1.37 2.46 -0.27 -4.21 115.29 113.54 1seh s HIS 58 Ca 0.27 -1.62 -0.13 0.00 0.47 0.00 0.00 55.06 54.05 1seh s HIS 58 Cb -0.04 -1.48 0.03 0.00 -0.13 0.00 0.00 32.58 30.96 1seh s HIS 58 CO 0.12 -0.85 1.66 0.82 -2.47 0.00 0.00 174.74 174.02 1seh h ILE 59 N 6.18 1.24 0.00 0.89 2.04 -1.80 -3.31 117.51 122.75 1seh h ILE 59 Ca -0.12 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1seh h ILE 59 Cb 1.00 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1seh h ILE 59 CO 0.45 0.30 0.00 0.00 0.00 0.00 0.00 178.15 178.90 1seh n ALA 60 N -2.38 0.00 -2.61 1.87 0.00 0.22 -4.89 120.51 112.72 1seh n ALA 60 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 1seh n ALA 60 Cb 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.63 1seh n ALA 60 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1seh s ASP 61 N 0.00 6.70 0.00 0.00 -1.08 -1.26 -4.84 116.67 116.19 1seh s ASP 61 Ca 0.00 0.67 0.14 0.00 -0.52 0.00 0.00 52.55 52.85 1seh s ASP 61 Cb 0.00 -2.45 0.73 0.00 -1.46 0.00 0.00 42.92 39.75 1seh s ASP 61 CO 0.00 -0.74 1.38 -0.81 0.52 0.00 0.00 175.17 175.52 1seh n PRO 62 N 6.51 0.22 -0.12 4.34 -0.04 -1.26 -1.45 135.00 143.19 1seh n PRO 62 Ca 0.06 0.14 0.09 0.00 -0.04 0.00 0.00 63.50 63.75 1seh n PRO 62 Cb 0.48 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.74 1seh n PRO 62 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1seh n SER 63 N -1.27 1.84 -4.12 3.54 3.41 -1.26 -4.82 113.62 110.93 1seh n SER 63 Ca 0.07 -1.82 -0.18 0.00 -0.26 0.00 0.00 58.87 56.69 1seh n SER 63 Cb 0.11 -0.16 -0.12 0.00 -0.26 0.00 0.00 64.21 63.78 1seh n SER 63 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1seh s LEU 64 N -1.37 2.22 0.21 1.04 1.43 -0.53 -1.56 118.68 120.12 1seh s LEU 64 Ca 0.30 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1seh s LEU 64 Cb 0.16 -0.45 -0.04 0.00 0.03 0.00 0.00 46.19 45.89 1seh s LEU 64 CO 0.23 -0.06 0.13 0.00 0.23 0.00 0.00 176.35 176.88 1seh s ALA 65 N -1.08 1.23 0.13 4.21 0.00 -0.46 -4.09 121.76 121.70 1seh s ALA 65 Ca -0.02 -1.72 0.11 0.00 0.00 0.00 0.00 51.96 50.33 1seh s ALA 65 Cb -0.09 1.35 -0.04 0.00 0.00 0.00 0.00 23.12 24.34 1seh s ALA 65 CO 0.01 -0.58 -0.27 0.00 0.00 0.00 0.00 175.76 174.93 1seh s ALA 66 N -4.12 2.36 -0.09 0.00 0.00 -0.89 -1.08 121.76 117.96 1seh s ALA 66 Ca 0.39 -1.46 0.03 0.00 0.00 0.00 0.00 51.96 50.92 1seh s ALA 66 Cb 0.07 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.82 1seh s ALA 66 CO 0.12 0.54 -0.19 -1.64 0.00 0.00 0.00 175.76 174.58 1seh s MET 67 N -2.04 2.51 -0.13 0.00 -1.94 0.21 -0.25 119.30 117.66 1seh s MET 67 Ca 0.14 -0.69 -0.15 0.00 -1.71 0.00 0.00 55.69 53.28 1seh s MET 67 Cb -0.10 -1.95 -0.05 0.00 2.01 0.00 0.00 34.83 34.75 1seh s MET 67 CO 0.06 0.11 0.35 -1.64 -0.01 0.00 0.00 175.02 173.90 1seh s MET 68 N 0.49 4.21 0.15 2.03 -1.94 0.18 -1.13 119.30 123.29 1seh s MET 68 Ca -0.17 0.23 0.07 0.00 -1.71 0.00 0.00 55.69 54.11 1seh s MET 68 Cb -0.17 -3.40 -0.04 0.00 2.01 0.00 0.00 34.83 33.23 1seh s MET 68 CO 0.07 0.29 -0.14 -0.51 -0.01 0.00 0.00 175.02 174.71 1seh s LEU 69 N 0.27 2.45 0.81 -0.03 1.43 0.60 -1.18 118.68 123.03 1seh s LEU 69 Ca 0.20 -0.88 -0.13 0.00 -1.03 0.00 0.00 54.13 52.29 1seh s LEU 69 Cb -0.14 -0.60 0.09 0.00 0.03 0.00 0.00 46.19 45.56 1seh s LEU 69 CO 0.07 -0.15 1.20 -2.84 0.23 0.00 0.00 176.35 174.86 1seh s PRO 70 N -2.99 1.60 0.36 1.29 0.02 -1.26 -0.82 135.00 133.20 1seh s PRO 70 Ca 0.13 1.75 -0.25 0.00 0.02 0.00 0.00 61.00 62.65 1seh s PRO 70 Cb -0.03 -1.77 -0.10 0.00 0.02 0.00 0.00 34.50 32.62 1seh s PRO 70 CO 0.04 -2.24 0.99 1.03 -0.33 0.00 0.00 177.00 176.48 1seh s ARG 71 N -4.17 4.39 0.12 5.54 0.52 -1.26 -4.52 118.95 119.57 1seh s ARG 71 Ca 0.73 1.38 -0.16 0.00 -0.52 0.00 0.00 55.73 57.15 1seh s ARG 71 Cb -0.28 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.53 1seh s ARG 71 CO 0.51 0.08 1.61 0.66 0.02 0.00 0.00 175.30 178.19 1seh h SER 72 N 2.77 0.56 -0.08 0.23 4.64 -1.95 -0.91 113.55 118.81 1seh h SER 72 Ca -0.48 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 60.58 1seh h SER 72 Cb 1.20 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1seh h SER 72 CO 0.63 0.65 -0.05 1.23 -0.87 0.00 0.00 176.83 178.43 1seh h GLY 73 N 0.44 0.19 0.68 -0.77 0.00 -1.97 0.16 103.07 101.80 1seh h GLY 73 Ca 0.11 -0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.32 1seh h GLY 73 CO 0.00 0.16 0.28 1.41 0.00 0.00 0.00 176.54 178.40 1seh h LEU 74 N -0.21 0.40 0.38 3.11 3.38 -1.84 0.11 115.31 120.64 1seh h LEU 74 Ca 0.02 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1seh h LEU 74 Cb 0.51 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1seh h LEU 74 CO 0.01 0.27 -0.18 1.23 0.09 0.00 0.00 178.44 179.86 1seh h GLY 75 N 0.54 -0.53 0.76 0.83 0.00 -0.97 -0.51 103.07 103.19 1seh h GLY 75 Ca 0.25 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 1seh h GLY 75 CO -0.18 -0.19 -0.07 0.84 0.00 0.00 0.00 176.54 176.94 1seh h HIS 76 N -0.81 -0.18 0.23 5.60 -0.00 -0.87 -2.23 115.15 116.89 1seh h HIS 76 Ca -0.05 -0.00 -0.34 0.00 -0.00 0.00 0.00 60.37 59.97 1seh h HIS 76 Cb 0.53 0.06 0.03 0.00 -0.00 0.00 0.00 27.41 28.03 1seh h HIS 76 CO 0.01 0.08 -1.57 -0.22 -0.00 0.00 0.00 177.93 176.24 1seh h LYS 77 N -0.44 0.49 -0.01 5.26 3.64 -0.91 -3.39 116.57 121.22 1seh h LYS 77 Ca -0.02 -0.83 0.00 0.00 -1.27 0.00 0.00 60.65 58.53 1seh h LYS 77 Cb 0.35 0.31 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1seh h LYS 77 CO 0.03 1.40 -0.31 0.72 -2.27 0.00 0.00 179.45 179.02 1seh n HIS 78 N -3.69 0.00 -2.53 1.91 8.25 -0.58 -5.00 115.22 113.58 1seh n HIS 78 Ca -0.20 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.09 1seh n HIS 78 Cb 1.09 0.00 0.01 0.00 1.12 0.00 0.00 29.99 32.21 1seh n HIS 78 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1seh n GLY 79 N 1.03 -0.29 3.25 -1.41 0.00 -0.33 -4.68 105.19 102.76 1seh n GLY 79 Ca 0.04 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1seh n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1seh s ILE 80 N -2.91 3.67 0.00 -0.61 -1.09 -0.42 -0.38 121.20 119.46 1seh s ILE 80 Ca 0.10 -1.25 0.00 0.00 -2.23 0.00 0.00 60.65 57.26 1seh s ILE 80 Cb -0.04 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1seh s ILE 80 CO 0.12 -0.23 0.00 1.33 -1.23 0.00 0.00 174.94 174.93 1seh n VAL 81 N 4.78 0.00 -4.20 2.92 0.24 -0.41 -2.76 118.33 118.90 1seh n VAL 81 Ca -0.12 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.83 1seh n VAL 81 Cb 0.44 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.72 1seh n VAL 81 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1seh s LEU 82 N 0.00 3.82 0.44 1.34 1.43 -1.26 -1.14 118.68 123.31 1seh s LEU 82 Ca 0.00 0.22 0.23 0.00 -1.03 0.00 0.00 54.13 53.54 1seh s LEU 82 Cb 0.00 -1.90 0.98 0.00 0.03 0.00 0.00 46.19 45.30 1seh s LEU 82 CO 0.00 0.36 1.87 1.23 0.23 0.00 0.00 176.35 180.03 1seh h GLY 83 N 5.33 0.00 -2.14 -3.19 0.00 -1.10 -1.14 103.07 100.83 1seh h GLY 83 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1seh h GLY 83 CO 0.57 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.27 1seh n ASN 84 N -3.55 3.22 0.00 0.19 6.94 -1.26 -4.99 115.26 115.81 1seh n ASN 84 Ca -0.01 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.59 1seh n ASN 84 Cb 0.40 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 1seh n ASN 84 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1seh n LEU 85 N 1.30 0.00 -3.95 -4.53 4.77 -0.43 -4.63 117.00 109.54 1seh n LEU 85 Ca 0.20 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.97 1seh n LEU 85 Cb 0.55 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.48 1seh n LEU 85 CO 0.15 0.00 -0.43 -0.69 -1.33 0.00 0.00 177.39 175.09 1seh s VAL 86 N 0.00 0.70 -0.30 4.08 1.01 -1.26 -4.49 120.40 120.15 1seh s VAL 86 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 1seh s VAL 86 Cb 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1seh s VAL 86 CO 0.00 0.25 0.17 -0.83 0.00 0.00 0.00 175.10 174.69 1seh s GLY 87 N 0.65 1.90 -0.24 4.51 0.00 -0.33 -4.91 107.32 108.90 1seh s GLY 87 Ca -0.10 -1.24 -0.15 0.00 0.00 0.00 0.00 44.72 43.23 1seh s GLY 87 CO 0.01 0.67 0.36 -2.27 0.00 0.00 0.00 173.10 171.88 1seh s LEU 88 N 1.69 4.09 -0.27 0.66 2.96 -1.26 0.48 118.68 127.03 1seh s LEU 88 Ca 0.06 0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 54.26 1seh s LEU 88 Cb -0.16 -2.43 -0.01 0.00 0.50 0.00 0.00 46.19 44.08 1seh s LEU 88 CO 0.09 -0.12 0.09 -0.63 -1.32 0.00 0.00 176.35 174.46 1seh s ILE 89 N 1.67 4.26 0.51 6.68 -1.09 0.65 -4.99 121.20 128.89 1seh s ILE 89 Ca 0.16 -0.37 -0.18 0.00 -2.23 0.00 0.00 60.65 58.02 1seh s ILE 89 Cb -0.15 -3.08 -0.07 0.00 -1.58 0.00 0.00 42.46 37.57 1seh s ILE 89 CO 0.09 0.21 1.02 -1.81 -1.23 0.00 0.00 174.94 173.22 1seh s ASP 90 N 1.58 6.33 0.55 3.58 1.01 -1.26 -2.09 116.67 126.37 1seh s ASP 90 Ca 0.05 1.80 0.26 0.00 0.71 0.00 0.00 52.55 55.37 1seh s ASP 90 Cb -0.16 -2.54 1.57 0.00 1.01 0.00 0.00 42.92 42.80 1seh s ASP 90 CO 0.04 -0.79 2.17 0.77 0.21 0.00 0.00 175.17 177.57 1seh h SER 91 N 1.20 0.00 -0.51 0.27 4.64 -1.86 -2.14 113.55 115.14 1seh h SER 91 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1seh h SER 91 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1seh h SER 91 CO 0.59 0.05 0.00 -0.90 -0.87 0.00 0.00 176.83 175.70 1seh n ASP 92 N -3.95 3.56 -4.71 4.97 5.68 -1.26 -0.61 116.55 120.23 1seh n ASP 92 Ca -0.03 -1.98 -0.42 0.00 -0.50 0.00 0.00 54.79 51.87 1seh n ASP 92 Cb 0.13 -0.34 -0.03 0.00 -1.14 0.00 0.00 41.12 39.75 1seh n ASP 92 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1seh s TYR 93 N -1.21 3.48 0.00 2.11 6.14 -0.81 -4.91 117.35 122.15 1seh s TYR 93 Ca 0.40 1.42 0.00 0.00 0.64 0.00 0.00 57.07 59.53 1seh s TYR 93 Cb 0.22 -3.33 0.00 0.00 0.42 0.00 0.00 41.96 39.28 1seh s TYR 93 CO 0.30 -0.89 0.85 1.04 0.64 0.00 0.00 175.55 177.49 1seh n GLN 94 N 4.08 2.09 -1.91 4.97 6.02 -1.26 -4.40 117.38 126.98 1seh n GLN 94 Ca 0.08 -1.20 -0.29 0.00 -0.01 0.00 0.00 57.00 55.58 1seh n GLN 94 Cb 0.48 -0.86 0.13 0.00 1.02 0.00 0.00 30.24 31.01 1seh n GLN 94 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1seh s GLY 95 N -0.71 1.67 0.31 1.08 0.00 -1.26 -4.73 107.32 103.69 1seh s GLY 95 Ca 0.00 -0.89 -0.29 0.00 0.00 0.00 0.00 44.72 43.54 1seh s GLY 95 CO 0.00 -0.27 1.55 1.62 0.00 0.00 0.00 173.10 176.00 1seh s GLN 96 N -5.71 4.13 -0.08 2.90 0.74 -1.26 -4.25 119.66 116.13 1seh s GLN 96 Ca 0.67 2.55 -0.30 0.00 0.05 0.00 0.00 55.36 58.34 1seh s GLN 96 Cb -0.08 -3.01 -0.04 0.00 1.10 0.00 0.00 33.01 30.98 1seh s GLN 96 CO 0.51 -0.58 1.34 -0.51 -0.55 0.00 0.00 175.29 175.49 1seh s LEU 97 N -0.95 4.26 0.01 3.68 1.43 -0.08 -4.97 118.68 122.06 1seh s LEU 97 Ca 0.60 1.91 0.07 0.00 -1.03 0.00 0.00 54.13 55.68 1seh s LEU 97 Cb -0.47 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.17 1seh s LEU 97 CO 0.52 -0.73 -0.21 -0.04 0.23 0.00 0.00 176.35 176.13 1seh s MET 98 N 2.92 2.12 -0.19 1.70 -1.94 -1.26 -2.44 119.30 120.21 1seh s MET 98 Ca 0.60 -0.93 -0.01 0.00 -1.71 0.00 0.00 55.69 53.64 1seh s MET 98 Cb -0.27 -2.15 0.01 0.00 2.01 0.00 0.00 34.83 34.43 1seh s MET 98 CO 0.22 0.56 -0.14 0.42 -0.01 0.00 0.00 175.02 176.07 1seh s ILE 99 N -0.79 2.61 -0.63 2.53 -1.09 0.10 -4.94 121.20 118.99 1seh s ILE 99 Ca 0.12 -0.76 -0.26 0.00 -2.23 0.00 0.00 60.65 57.53 1seh s ILE 99 Cb -0.10 -2.14 0.04 0.00 -1.58 0.00 0.00 42.46 38.68 1seh s ILE 99 CO 0.02 0.49 1.13 -0.55 -1.23 0.00 0.00 174.94 174.80 1seh s SER 100 N 1.31 6.30 -0.24 3.58 0.15 -1.26 -0.39 113.70 123.15 1seh s SER 100 Ca 0.04 -0.32 -0.12 0.00 0.70 0.00 0.00 55.95 56.26 1seh s SER 100 Cb -0.14 -2.51 -0.05 0.00 -1.71 0.00 0.00 66.02 61.62 1seh s SER 100 CO -0.08 -1.52 0.23 -0.69 1.20 0.00 0.00 173.24 172.38 1seh s VAL 101 N 4.83 5.30 -0.09 4.45 1.01 0.15 -0.54 120.40 135.51 1seh s VAL 101 Ca 0.35 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1seh s VAL 101 Cb -0.10 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1seh s VAL 101 CO 0.19 0.30 -0.20 0.86 0.00 0.00 0.00 175.10 176.25 1seh s TRP 102 N 1.30 2.16 -0.68 5.22 -0.00 -0.30 -0.70 118.94 125.93 1seh s TRP 102 Ca 0.11 -0.86 -0.21 0.00 -0.00 0.00 0.00 56.10 55.13 1seh s TRP 102 Cb -0.14 -1.48 0.09 0.00 -0.00 0.00 0.00 33.47 31.94 1seh s TRP 102 CO 0.07 -0.37 0.91 1.21 -0.00 0.00 0.00 176.95 178.77 1seh s ASN 103 N 0.46 6.25 0.00 5.86 3.84 -0.35 -1.29 114.94 129.70 1seh s ASN 103 Ca -0.17 -1.30 0.28 0.00 0.21 0.00 0.00 52.86 51.88 1seh s ASN 103 Cb -0.17 -2.38 1.39 0.00 -0.55 0.00 0.00 41.25 39.54 1seh s ASN 103 CO 0.07 -1.28 1.93 -2.11 -2.79 0.00 0.00 177.10 172.92 1seh n ARG 104 N 7.08 1.33 0.00 0.43 1.85 0.49 -0.27 116.66 127.57 1seh n ARG 104 Ca -0.01 -0.49 0.00 0.00 -1.00 0.00 0.00 57.85 56.35 1seh n ARG 104 Cb 0.45 -1.46 0.00 0.00 -1.05 0.00 0.00 32.46 30.40 1seh n ARG 104 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1seh n GLY 105 N 1.06 4.21 0.33 2.89 0.00 -1.23 -4.90 105.19 107.55 1seh n GLY 105 Ca 0.20 -1.97 0.04 0.00 0.00 0.00 0.00 46.02 44.29 1seh n GLY 105 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1seh n GLN 106 N 0.00 0.40 -4.94 1.61 3.00 -1.26 -4.23 117.38 111.95 1seh n GLN 106 Ca 0.00 -0.96 -0.33 0.00 -0.01 0.00 0.00 57.00 55.70 1seh n GLN 106 Cb 0.00 -1.15 -0.15 0.00 0.00 0.00 0.00 30.24 28.94 1seh n GLN 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1seh s ASP 107 N -0.76 3.66 0.54 1.08 -0.00 -1.26 -4.81 116.67 115.11 1seh s ASP 107 Ca 0.10 -0.42 -0.22 0.00 -0.00 0.00 0.00 52.55 52.01 1seh s ASP 107 Cb 0.07 -1.53 -0.05 0.00 -0.00 0.00 0.00 42.92 41.40 1seh s ASP 107 CO 0.12 0.16 1.36 -0.24 -0.00 0.00 0.00 175.17 176.57 1seh n SER 108 N 3.53 2.72 -3.96 0.27 2.88 -1.26 -4.52 113.62 113.28 1seh n SER 108 Ca -0.18 0.99 -0.19 0.00 -1.33 0.00 0.00 58.87 58.15 1seh n SER 108 Cb 0.53 -1.58 -0.15 0.00 -0.75 0.00 0.00 64.21 62.26 1seh n SER 108 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1seh s PHE 109 N -1.28 0.76 -0.35 0.66 5.36 -0.58 -4.98 117.98 117.57 1seh s PHE 109 Ca 0.71 -0.18 -0.18 0.00 -0.96 0.00 0.00 56.93 56.32 1seh s PHE 109 Cb -0.42 -0.57 -0.00 0.00 -0.34 0.00 0.00 43.02 41.69 1seh s PHE 109 CO 0.50 -0.09 0.51 0.99 -1.46 0.00 0.00 175.22 175.66 1seh s THR 110 N 0.29 5.02 -0.36 0.12 2.01 -1.26 -0.09 115.64 121.37 1seh s THR 110 Ca -0.04 0.34 -0.24 0.00 0.31 0.00 0.00 61.69 62.06 1seh s THR 110 Cb -0.08 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.48 1seh s THR 110 CO 0.00 -0.20 0.84 -0.63 -0.69 0.00 0.00 174.62 173.93 1seh s ILE 111 N 2.37 4.68 0.21 1.82 1.01 0.76 -4.93 121.20 127.13 1seh s ILE 111 Ca 0.18 1.02 -0.12 0.00 0.00 0.00 0.00 60.65 61.74 1seh s ILE 111 Cb -0.15 -4.25 -0.07 0.00 0.01 0.00 0.00 42.46 37.99 1seh s ILE 111 CO 0.13 -0.46 0.57 -1.10 0.00 0.00 0.00 174.94 174.09 1seh s GLN 112 N 3.22 3.89 0.22 2.79 -1.52 -1.26 -1.07 119.66 125.93 1seh s GLN 112 Ca 0.34 0.40 -0.32 0.00 -1.95 0.00 0.00 55.36 53.83 1seh s GLN 112 Cb -0.13 -2.72 -0.14 0.00 -0.22 0.00 0.00 33.01 29.81 1seh s GLN 112 CO 0.17 0.35 1.38 -2.30 -0.25 0.00 0.00 175.29 174.64 1seh n PRO 113 N 0.15 1.89 -0.18 2.91 -0.02 -1.26 -1.73 135.00 136.76 1seh n PRO 113 Ca -0.01 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1seh n PRO 113 Cb 0.52 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1seh n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1seh n GLY 114 N 2.20 1.96 3.76 -1.23 0.00 0.78 -4.96 105.19 107.70 1seh n GLY 114 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1seh n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1seh s GLU 115 N -0.24 4.27 -0.27 1.61 2.56 -0.71 -4.53 118.70 121.40 1seh s GLU 115 Ca 0.00 2.32 -0.29 0.00 0.00 0.00 0.00 54.97 57.00 1seh s GLU 115 Cb 0.00 -3.07 -0.02 0.00 2.00 0.00 0.00 34.13 33.04 1seh s GLU 115 CO 0.00 -0.36 1.59 1.03 -0.56 0.00 0.00 175.26 176.95 1seh s ARG 116 N -1.10 3.70 -0.00 4.30 0.52 -1.26 -1.09 118.95 124.01 1seh s ARG 116 Ca 0.55 1.48 0.05 0.00 -0.52 0.00 0.00 55.73 57.28 1seh s ARG 116 Cb -0.42 -4.05 -0.06 0.00 0.52 0.00 0.00 34.95 30.95 1seh s ARG 116 CO 0.49 -1.41 0.17 1.51 0.02 0.00 0.00 175.30 176.08 1seh n ILE 117 N 6.66 0.00 -3.93 1.52 0.13 0.06 -4.98 119.36 118.83 1seh n ILE 117 Ca 0.19 -0.29 -0.08 0.00 -1.10 0.00 0.00 62.75 61.46 1seh n ILE 117 Cb 0.46 0.78 -0.03 0.00 -0.84 0.00 0.00 39.64 40.01 1seh n ILE 117 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1seh s ALA 118 N -1.76 -0.68 0.17 1.51 0.00 -1.18 -4.36 121.76 115.45 1seh s ALA 118 Ca 0.01 -0.63 0.05 0.00 0.00 0.00 0.00 51.96 51.38 1seh s ALA 118 Cb 0.03 0.95 -0.05 0.00 0.00 0.00 0.00 23.12 24.06 1seh s ALA 118 CO 0.20 -0.94 -0.10 1.14 0.00 0.00 0.00 175.76 176.05 1seh s GLN 119 N -3.86 1.14 -0.02 0.00 -2.07 0.00 -0.92 119.66 113.93 1seh s GLN 119 Ca 0.17 -1.50 0.01 0.00 -1.82 0.00 0.00 55.36 52.22 1seh s GLN 119 Cb -0.03 -0.73 0.02 0.00 -1.09 0.00 0.00 33.01 31.17 1seh s GLN 119 CO 0.09 0.09 -0.02 1.41 -1.32 0.00 0.00 175.29 175.53 1seh s MET 120 N -3.73 0.44 0.11 9.60 1.75 0.68 -0.29 119.30 127.85 1seh s MET 120 Ca 0.19 -0.04 0.10 0.00 -1.25 0.00 0.00 55.69 54.69 1seh s MET 120 Cb 0.02 -0.52 -0.04 0.00 2.84 0.00 0.00 34.83 37.13 1seh s MET 120 CO 0.03 -0.05 -0.24 0.96 -0.65 0.00 0.00 175.02 175.06 1seh s ILE 121 N 0.66 2.42 -0.21 10.11 -4.36 -0.28 -1.02 121.20 128.52 1seh s ILE 121 Ca -0.07 -1.60 -0.06 0.00 -0.26 0.00 0.00 60.65 58.65 1seh s ILE 121 Cb -0.10 -2.06 -0.03 0.00 1.25 0.00 0.00 42.46 41.52 1seh s ILE 121 CO -0.01 0.15 0.03 -0.36 0.24 0.00 0.00 174.94 174.99 1seh s PHE 122 N -1.03 3.09 0.02 1.37 0.08 -1.26 -0.62 117.98 119.62 1seh s PHE 122 Ca 0.15 -0.35 0.05 0.00 0.12 0.00 0.00 56.93 56.90 1seh s PHE 122 Cb -0.10 -2.12 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 1seh s PHE 122 CO 0.06 -0.20 -0.15 0.08 -0.10 0.00 0.00 175.22 174.92 1seh s VAL 123 N 1.05 1.17 0.44 -0.44 1.01 -0.24 -4.99 120.40 118.41 1seh s VAL 123 Ca 0.03 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 60.92 1seh s VAL 123 Cb -0.14 -1.02 -0.08 0.00 0.00 0.00 0.00 36.38 35.14 1seh s VAL 123 CO 0.02 0.17 1.33 -2.84 0.00 0.00 0.00 175.10 173.78 1seh s PRO 124 N -0.76 3.80 0.10 2.72 0.02 -1.26 -1.35 135.00 138.26 1seh s PRO 124 Ca 0.04 2.20 0.06 0.00 0.02 0.00 0.00 61.00 63.31 1seh s PRO 124 Cb -0.07 -2.65 -0.03 0.00 0.02 0.00 0.00 34.50 31.76 1seh s PRO 124 CO 0.00 -0.65 -0.14 0.14 -0.33 0.00 0.00 177.00 176.02 1seh s VAL 125 N -1.27 1.28 -0.10 3.83 -7.23 -0.60 -4.82 120.40 111.48 1seh s VAL 125 Ca 0.60 -1.57 0.02 0.00 -1.81 0.00 0.00 61.98 59.22 1seh s VAL 125 Cb -0.39 -1.39 -0.01 0.00 0.56 0.00 0.00 36.38 35.15 1seh s VAL 125 CO 0.49 -0.34 -0.17 -0.69 -0.31 0.00 0.00 175.10 174.09 1seh s VAL 126 N -1.81 2.71 -0.30 1.32 1.01 -1.26 -4.51 120.40 117.56 1seh s VAL 126 Ca 0.05 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 1seh s VAL 126 Cb -0.07 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1seh s VAL 126 CO 0.03 0.55 0.53 -1.10 0.00 0.00 0.00 175.10 175.11 1seh s GLN 127 N 0.12 3.90 0.20 2.72 -0.21 -1.26 -5.04 119.66 120.08 1seh s GLN 127 Ca -0.08 0.16 -0.28 0.00 0.02 0.00 0.00 55.36 55.17 1seh s GLN 127 Cb -0.15 -3.71 -0.08 0.00 1.00 0.00 0.00 33.01 30.06 1seh s GLN 127 CO 0.05 -0.48 0.88 0.00 -2.12 0.00 0.00 175.29 173.62 1seh s ALA 128 N 2.39 3.37 -0.20 6.09 0.00 -1.26 -5.06 121.76 127.09 1seh s ALA 128 Ca 0.21 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.66 1seh s ALA 128 Cb -0.15 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 1seh s ALA 128 CO 0.11 0.22 -0.07 -2.00 0.00 0.00 0.00 175.76 174.01 1seh s GLU 129 N -1.05 3.34 0.14 0.00 2.12 -1.26 -5.10 118.70 116.89 1seh s GLU 129 Ca 0.40 -0.66 -0.30 0.00 0.36 0.00 0.00 54.97 54.77 1seh s GLU 129 Cb -0.25 -2.90 -0.07 0.00 0.26 0.00 0.00 34.13 31.18 1seh s GLU 129 CO 0.30 -0.13 1.03 -0.06 -0.54 0.00 0.00 175.26 175.86 1seh s PHE 130 N 1.26 3.71 -0.30 5.30 2.99 -1.26 -5.02 117.98 124.66 1seh s PHE 130 Ca 0.03 1.70 -0.00 0.00 0.00 0.00 0.00 56.93 58.66 1seh s PHE 130 Cb -0.14 -3.16 0.06 0.00 0.00 0.00 0.00 43.02 39.78 1seh s PHE 130 CO -0.03 -0.19 -0.01 1.21 -0.00 0.00 0.00 175.22 176.20 1seh s ASN 131 N -0.05 4.80 0.02 1.36 2.47 -1.26 -5.09 114.94 117.19 1seh s ASN 131 Ca 0.48 -1.44 -0.30 0.00 0.42 0.00 0.00 52.86 52.02 1seh s ASN 131 Cb -0.26 -1.67 -0.05 0.00 -1.45 0.00 0.00 41.25 37.81 1seh s ASN 131 CO 0.32 -0.28 1.29 -0.76 -3.72 0.00 0.00 177.10 173.96 1seh s LEU 132 N 1.17 4.33 0.14 3.21 1.02 -1.26 -5.02 118.68 122.27 1seh s LEU 132 Ca -0.04 2.04 0.05 0.00 0.02 0.00 0.00 54.13 56.20 1seh s LEU 132 Cb -0.20 -3.57 -0.04 0.00 0.02 0.00 0.00 46.19 42.40 1seh s LEU 132 CO -0.03 -0.61 -0.12 0.68 0.02 0.00 0.00 176.35 176.29 1seh s VAL 133 N 1.81 1.25 0.03 -1.59 -7.23 -1.26 -5.05 120.40 108.36 1seh s VAL 133 Ca 0.61 -1.88 -0.10 0.00 -1.81 0.00 0.00 61.98 58.79 1seh s VAL 133 Cb -0.30 -1.67 -0.32 0.00 0.56 0.00 0.00 36.38 34.65 1seh s VAL 133 CO 0.27 -0.58 1.00 -0.33 -0.31 0.00 0.00 175.10 175.15 1seh h GLU 134 N 3.17 0.41 -3.72 4.82 4.39 -2.09 -3.47 114.58 118.10 1seh h GLU 134 Ca -0.38 -0.71 -0.19 0.00 0.34 0.00 0.00 59.36 58.42 1seh h GLU 134 Cb 1.20 0.26 -0.25 0.00 -0.10 0.00 0.00 28.75 29.86 1seh h GLU 134 CO 0.57 1.33 -0.65 -0.51 -1.16 0.00 0.00 179.01 178.58 1seh s ASP 135 N -7.36 0.05 0.63 1.42 1.11 -1.26 -5.16 116.67 106.10 1seh s ASP 135 Ca -0.08 -0.14 -0.09 0.00 0.18 0.00 0.00 52.55 52.42 1seh s ASP 135 Cb 0.05 0.11 -0.00 0.00 1.07 0.00 0.00 42.92 44.15 1seh s ASP 135 CO 0.91 -0.15 0.99 -0.36 1.18 0.00 0.00 175.17 177.74 1seh s PHE 136 N -0.64 3.39 0.75 4.23 2.99 -1.26 -5.09 117.98 122.35 1seh s PHE 136 Ca -0.07 0.95 -0.11 0.00 0.00 0.00 0.00 56.93 57.70 1seh s PHE 136 Cb -0.04 -2.82 0.04 0.00 0.00 0.00 0.00 43.02 40.20 1seh s PHE 136 CO -0.00 -0.88 1.08 -0.51 -0.00 0.00 0.00 175.22 174.91 1seh s ASP 137 N -4.28 4.81 0.13 1.36 1.01 -1.26 -4.98 116.67 113.46 1seh s ASP 137 Ca 0.55 1.73 -0.31 0.00 0.71 0.00 0.00 52.55 55.22 1seh s ASP 137 Cb -0.11 -2.49 -0.09 0.00 1.01 0.00 0.00 42.92 41.24 1seh s ASP 137 CO 0.49 -1.82 1.48 0.00 0.21 0.00 0.00 175.17 175.53 1seh s ALA 138 N -2.96 3.68 0.39 5.23 0.00 -1.26 -5.19 121.76 121.64 1seh s ALA 138 Ca 0.60 1.23 0.05 0.00 0.00 0.00 0.00 51.96 53.83 1seh s ALA 138 Cb -0.16 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 1seh s ALA 138 CO 0.56 -0.72 0.18 -0.08 0.00 0.00 0.00 175.76 175.69 1seh s THR 139 N 1.25 0.39 0.00 0.00 -1.32 -1.26 -5.36 115.64 109.34 1seh s THR 139 Ca 0.67 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.15 1seh s THR 139 Cb -0.40 -2.36 0.00 0.00 -1.51 0.00 0.00 72.50 68.23 1seh s THR 139 CO 0.31 0.00 0.00 -1.14 -2.21 0.00 0.00 174.62 171.58