#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssy s ASN 2 N 0.00 0.07 0.47 6.12 2.20 -1.26 -5.01 114.94 117.53 1ssy s ASN 2 Ca 0.00 -1.02 0.24 0.00 -0.94 0.00 0.00 52.86 51.14 1ssy s ASN 2 Cb 0.00 0.73 1.26 0.00 -2.00 0.00 0.00 41.25 41.24 1ssy s ASN 2 CO 0.00 -1.41 1.86 -0.29 -2.94 0.00 0.00 177.10 174.32 1ssy h ILE 3 N 2.07 0.61 -0.19 0.54 6.09 -1.95 -0.23 117.51 124.45 1ssy h ILE 3 Ca -0.27 -0.08 -0.17 0.00 -1.37 0.00 0.00 64.86 62.98 1ssy h ILE 3 Cb 1.25 0.36 0.00 0.00 0.47 0.00 0.00 36.82 38.90 1ssy h ILE 3 CO 0.35 0.04 -0.54 -0.26 -3.07 0.00 0.00 178.15 174.67 1ssy h PHE 4 N 0.23 0.91 -0.50 2.19 -1.00 -1.99 -1.98 116.94 114.80 1ssy h PHE 4 Ca 0.46 -0.36 -0.09 0.00 2.81 0.00 0.00 57.97 60.79 1ssy h PHE 4 Cb 1.43 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 40.82 1ssy h PHE 4 CO -0.00 1.16 -0.06 0.93 -1.61 0.00 0.00 178.31 178.72 1ssy h GLU 5 N 0.40 0.92 -0.00 1.51 5.08 -1.58 -1.60 114.58 119.30 1ssy h GLU 5 Ca -0.01 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.05 1ssy h GLU 5 Cb 1.16 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 1ssy h GLU 5 CO 0.12 0.97 -0.19 1.98 -1.00 0.00 0.00 179.01 180.89 1ssy h MET 6 N 0.77 -0.29 -0.03 2.33 4.05 -1.08 -1.87 114.93 118.82 1ssy h MET 6 Ca 0.13 0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.49 1ssy h MET 6 Cb 0.60 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.45 1ssy h MET 6 CO 0.04 -0.19 -0.38 -0.07 0.23 0.00 0.00 176.91 176.53 1ssy h LEU 7 N -0.30 0.05 -0.97 3.39 3.38 -1.31 -2.30 115.31 117.25 1ssy h LEU 7 Ca 0.06 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1ssy h LEU 7 Cb 0.38 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1ssy h LEU 7 CO -0.18 0.43 0.03 -0.09 0.09 0.00 0.00 178.44 178.73 1ssy h ARG 8 N 0.04 0.78 -0.10 1.13 2.43 -0.87 0.28 114.38 118.08 1ssy h ARG 8 Ca 0.00 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 58.94 1ssy h ARG 8 Cb 0.70 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1ssy h ARG 8 CO 0.05 0.77 -0.11 0.82 -1.51 0.00 0.00 179.97 179.98 1ssy h ILE 9 N 0.73 1.37 -0.13 1.20 2.04 -0.97 0.34 117.51 122.10 1ssy h ILE 9 Ca 0.15 -1.30 -0.21 0.00 1.00 0.00 0.00 64.86 64.50 1ssy h ILE 9 Cb 0.40 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1ssy h ILE 9 CO 0.01 0.37 -0.75 0.44 0.00 0.00 0.00 178.15 178.23 1ssy h ASP 10 N -0.18 0.77 0.00 1.72 3.32 -1.30 -3.37 116.42 117.39 1ssy h ASP 10 Ca 0.01 -0.50 -0.36 0.00 0.02 0.00 0.00 57.03 56.21 1ssy h ASP 10 Cb 0.65 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 39.90 1ssy h ASP 10 CO 0.03 1.28 -2.34 -0.62 -1.72 0.00 0.00 179.24 175.87 1ssy n GLU 11 N -3.90 0.82 -0.22 3.56 -0.58 0.98 -5.07 120.64 116.23 1ssy n GLU 11 Ca -0.06 -0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.70 1ssy n GLU 11 Cb 0.73 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 30.08 1ssy n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ssy n GLY 12 N 1.82 -2.28 2.68 0.62 0.00 0.12 -4.70 105.19 103.44 1ssy n GLY 12 Ca -0.32 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 1ssy n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ssy s LEU 13 N -5.05 2.31 0.05 0.99 2.96 -1.26 -4.14 118.68 114.54 1ssy s LEU 13 Ca 0.00 -2.31 -0.27 0.00 -0.22 0.00 0.00 54.13 51.32 1ssy s LEU 13 Cb 0.00 -0.89 -0.05 0.00 0.50 0.00 0.00 46.19 45.75 1ssy s LEU 13 CO 0.00 -0.31 0.87 -0.13 -1.32 0.00 0.00 176.35 175.46 1ssy s ARG 14 N 0.78 4.57 0.00 1.98 1.81 -0.62 -4.91 118.95 122.56 1ssy s ARG 14 Ca 0.16 1.25 0.25 0.00 -1.72 0.00 0.00 55.73 55.67 1ssy s ARG 14 Cb -0.23 -3.40 0.55 0.00 -0.45 0.00 0.00 34.95 31.43 1ssy s ARG 14 CO -0.06 0.17 1.44 1.28 -0.68 0.00 0.00 175.30 177.45 1ssy n LEU 15 N 3.12 1.25 -4.23 2.53 4.77 -1.26 -1.52 117.00 121.66 1ssy n LEU 15 Ca 0.01 -0.38 -0.19 0.00 -0.03 0.00 0.00 56.01 55.42 1ssy n LEU 15 Cb 0.50 -0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 41.38 1ssy n LEU 15 CO 0.49 0.24 -0.47 -0.54 -1.33 0.00 0.00 177.39 175.78 1ssy s LYS 16 N -2.52 0.99 0.22 3.23 1.02 -1.26 -1.48 119.74 119.94 1ssy s LYS 16 Ca 0.22 -1.14 -0.32 0.00 0.02 0.00 0.00 55.97 54.76 1ssy s LYS 16 Cb 0.19 -0.99 -0.14 0.00 -0.52 0.00 0.00 37.83 36.37 1ssy s LYS 16 CO 0.54 0.21 1.42 -0.89 -0.92 0.00 0.00 175.35 175.72 1ssy n ILE 17 N 0.88 0.79 -4.25 2.17 5.41 -1.10 -4.78 119.36 118.48 1ssy n ILE 17 Ca -0.18 -0.20 -0.14 0.00 1.00 0.00 0.00 62.75 63.23 1ssy n ILE 17 Cb 0.55 -1.45 -0.10 0.00 -0.71 0.00 0.00 39.64 37.93 1ssy n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1ssy s TYR 18 N 0.09 1.33 -0.16 1.39 1.13 0.09 -4.93 117.35 116.28 1ssy s TYR 18 Ca 0.70 -1.30 -0.11 0.00 -1.41 0.00 0.00 57.07 54.96 1ssy s TYR 18 Cb -0.67 -0.71 -0.05 0.00 -1.10 0.00 0.00 41.96 39.43 1ssy s TYR 18 CO 0.48 -0.51 0.19 0.15 -2.51 0.00 0.00 175.55 173.35 1ssy s LYS 19 N -4.10 4.02 1.40 -3.49 1.02 -1.26 -0.28 119.74 117.05 1ssy s LYS 19 Ca 0.38 -0.08 -0.22 0.00 0.02 0.00 0.00 55.97 56.07 1ssy s LYS 19 Cb 0.07 -3.36 0.36 0.00 -0.52 0.00 0.00 37.83 34.38 1ssy s LYS 19 CO 0.13 0.42 0.95 0.34 -0.92 0.00 0.00 175.35 176.27 1ssy s ASP 20 N -0.02 -0.88 0.00 2.83 2.15 0.19 -4.82 116.67 116.12 1ssy s ASP 20 Ca 0.13 0.83 0.32 0.00 0.43 0.00 0.00 52.55 54.25 1ssy s ASP 20 Cb -0.12 -1.17 1.83 0.00 -0.30 0.00 0.00 42.92 43.16 1ssy s ASP 20 CO 0.02 -5.25 2.19 0.41 -0.17 0.00 0.00 175.17 172.37 1ssy n THR 21 N -5.55 0.00 -0.09 1.71 -1.04 -1.26 -2.42 114.28 105.62 1ssy n THR 21 Ca 0.13 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1ssy n THR 21 Cb 0.60 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 1ssy n THR 21 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ssy n GLU 22 N -1.03 2.19 -0.44 -2.82 1.02 -1.26 -4.99 120.64 113.31 1ssy n GLU 22 Ca 0.22 -1.27 0.00 0.00 -0.02 0.00 0.00 57.16 56.09 1ssy n GLU 22 Cb 0.14 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 1ssy n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ssy n GLY 23 N -0.39 0.74 3.72 0.62 0.00 -1.02 -5.05 105.19 103.80 1ssy n GLY 23 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ssy n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ssy s TYR 24 N -2.67 3.71 0.25 1.61 2.02 -1.26 -4.59 117.35 116.42 1ssy s TYR 24 Ca 0.00 1.72 -0.30 0.00 -0.37 0.00 0.00 57.07 58.12 1ssy s TYR 24 Cb 0.00 -3.11 -0.10 0.00 -0.40 0.00 0.00 41.96 38.34 1ssy s TYR 24 CO 0.00 -0.00 1.46 0.71 -1.57 0.00 0.00 175.55 176.14 1ssy s TYR 25 N 0.58 2.99 0.18 2.71 2.02 -1.20 0.53 117.35 125.16 1ssy s TYR 25 Ca 0.50 1.00 -0.09 0.00 -0.37 0.00 0.00 57.07 58.11 1ssy s TYR 25 Cb -0.23 -3.85 -0.01 0.00 -0.40 0.00 0.00 41.96 37.48 1ssy s TYR 25 CO 0.29 -2.76 0.31 0.99 -1.57 0.00 0.00 175.55 172.80 1ssy s THR 26 N -0.02 0.05 0.29 -0.71 2.01 0.61 -2.05 115.64 115.83 1ssy s THR 26 Ca 0.60 -1.43 -0.18 0.00 0.31 0.00 0.00 61.69 60.99 1ssy s THR 26 Cb -0.43 -1.95 0.02 0.00 0.01 0.00 0.00 72.50 70.15 1ssy s THR 26 CO 0.44 -0.22 0.67 -0.51 -0.69 0.00 0.00 174.62 174.31 1ssy s ILE 27 N -3.99 0.00 0.00 1.82 2.07 -0.37 -0.73 121.20 119.99 1ssy s ILE 27 Ca 0.20 -1.11 0.00 0.00 -1.41 0.00 0.00 60.65 58.33 1ssy s ILE 27 Cb 0.03 -2.20 0.00 0.00 0.13 0.00 0.00 42.46 40.42 1ssy s ILE 27 CO 0.02 0.00 0.00 0.00 -1.91 0.00 0.00 174.94 173.05 1ssy n ALA 28 N -0.46 0.00 -3.52 1.50 0.00 -0.58 -0.61 120.51 116.85 1ssy n ALA 28 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.00 1ssy n ALA 28 Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 1ssy n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ssy s ALA 29 N -1.78 4.21 -1.44 0.00 0.00 -1.26 -1.59 121.76 119.90 1ssy s ALA 29 Ca 0.00 -3.64 -0.11 0.00 0.00 0.00 0.00 51.96 48.22 1ssy s ALA 29 Cb 0.00 -3.11 0.05 0.00 0.00 0.00 0.00 23.12 20.05 1ssy s ALA 29 CO 0.00 -2.18 1.05 0.00 0.00 0.00 0.00 175.76 174.63 1ssy n ALA 30 N 2.95 -1.36 -2.83 0.00 0.00 -1.23 -4.94 120.51 113.11 1ssy n ALA 30 Ca 0.18 0.25 -0.44 0.00 0.00 0.00 0.00 53.44 53.43 1ssy n ALA 30 Cb 0.40 -4.69 -0.06 0.00 0.00 0.00 0.00 19.45 15.10 1ssy n ALA 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ssy s HIS 31 N -3.33 3.02 0.25 0.00 5.04 0.22 -4.91 115.29 115.58 1ssy s HIS 31 Ca 0.58 -0.60 -0.31 0.00 -1.54 0.00 0.00 55.06 53.19 1ssy s HIS 31 Cb -0.28 -3.65 -0.12 0.00 0.04 0.00 0.00 32.58 28.57 1ssy s HIS 31 CO 0.79 -1.10 1.68 -0.11 -2.34 0.00 0.00 174.74 173.65 1ssy n LEU 32 N 6.27 4.22 -0.10 8.88 7.94 -1.26 -1.24 117.00 141.71 1ssy n LEU 32 Ca -0.07 1.10 -0.19 0.00 -1.11 0.00 0.00 56.01 55.74 1ssy n LEU 32 Cb 0.45 -1.59 -0.07 0.00 0.53 0.00 0.00 43.42 42.73 1ssy n LEU 32 CO 0.55 0.20 -1.15 0.18 -1.11 0.00 0.00 177.39 176.06 1ssy n LEU 33 N 3.17 1.73 -3.54 -1.96 4.77 -0.87 -4.93 117.00 115.37 1ssy n LEU 33 Ca 0.13 0.16 -0.14 0.00 -0.03 0.00 0.00 56.01 56.13 1ssy n LEU 33 Cb 0.36 -0.59 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 1ssy n LEU 33 CO 0.64 0.49 0.32 0.28 -1.33 0.00 0.00 177.39 177.79 1ssy s THR 34 N -2.36 0.02 -1.96 -5.08 -1.32 -1.23 -4.88 115.64 98.83 1ssy s THR 34 Ca -0.27 -0.18 0.23 0.00 -1.21 0.00 0.00 61.69 60.26 1ssy s THR 34 Cb 0.10 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.08 1ssy s THR 34 CO 0.36 -0.10 1.10 0.29 -2.21 0.00 0.00 174.62 174.06 1ssy n LYS 35 N 0.25 1.12 -2.17 7.08 5.02 -1.26 -3.25 118.16 124.95 1ssy n LYS 35 Ca -0.18 -0.92 -0.30 0.00 -2.02 0.00 0.00 58.31 54.89 1ssy n LYS 35 Cb 0.61 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1ssy n LYS 35 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ssy s SER 36 N -2.51 6.29 0.02 4.39 1.04 -1.26 -4.90 113.70 116.77 1ssy s SER 36 Ca 0.18 1.28 0.17 0.00 0.48 0.00 0.00 55.95 58.07 1ssy s SER 36 Cb 0.18 -2.41 0.73 0.00 0.10 0.00 0.00 66.02 64.62 1ssy s SER 36 CO 0.59 -0.74 1.55 -2.65 0.98 0.00 0.00 173.24 172.96 1ssy n PRO 37 N -2.45 0.02 -2.65 4.02 -0.02 -1.26 -4.73 135.00 127.94 1ssy n PRO 37 Ca 0.04 0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 61.33 1ssy n PRO 37 Cb 0.54 -1.53 -0.02 0.00 -0.02 0.00 0.00 33.50 32.47 1ssy n PRO 37 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ssy s SER 38 N -3.12 7.12 0.20 2.55 0.15 -1.26 -4.93 113.70 114.41 1ssy s SER 38 Ca 0.08 1.43 -0.06 0.00 0.70 0.00 0.00 55.95 58.10 1ssy s SER 38 Cb 0.11 -2.54 0.13 0.00 -1.71 0.00 0.00 66.02 62.01 1ssy s SER 38 CO 0.31 -0.63 1.63 0.25 1.20 0.00 0.00 173.24 175.99 1ssy h LEU 39 N 9.18 0.90 -0.79 3.45 6.46 -2.00 -2.78 115.31 129.74 1ssy h LEU 39 Ca -0.22 -0.30 0.09 0.00 -0.12 0.00 0.00 57.88 57.33 1ssy h LEU 39 Cb 1.08 -0.25 -0.07 0.00 -0.73 0.00 0.00 40.66 40.70 1ssy h LEU 39 CO 0.96 1.05 0.44 0.78 -0.62 0.00 0.00 178.44 181.04 1ssy h ASN 40 N 0.79 0.63 -0.14 1.25 2.35 -1.99 0.22 115.58 118.70 1ssy h ASN 40 Ca 0.12 0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 1ssy h ASN 40 Cb 0.69 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 1ssy h ASN 40 CO 0.05 0.37 -0.08 0.00 -1.65 0.00 0.00 177.43 176.12 1ssy h ALA 41 N 1.43 1.34 0.36 -0.83 0.00 -1.91 0.06 119.26 119.72 1ssy h ALA 41 Ca 0.38 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ssy h ALA 41 Cb 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ssy h ALA 41 CO -0.24 0.45 -0.17 0.00 0.00 0.00 0.00 179.25 179.29 1ssy h ALA 42 N 1.49 -0.48 -1.00 0.00 0.00 -0.66 -2.30 119.26 116.31 1ssy h ALA 42 Ca 0.09 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.91 1ssy h ALA 42 Cb 0.41 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1ssy h ALA 42 CO 0.02 -0.62 0.64 0.87 0.00 0.00 0.00 179.25 180.16 1ssy h LYS 43 N -0.79 1.04 -0.39 0.00 1.57 -0.44 -1.63 116.57 115.93 1ssy h LYS 43 Ca -0.05 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1ssy h LYS 43 Cb 0.52 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1ssy h LYS 43 CO 0.08 0.69 0.12 1.03 -0.57 0.00 0.00 179.45 180.80 1ssy h SER 44 N 1.07 0.57 0.47 0.86 0.87 -0.95 -1.78 113.55 114.66 1ssy h SER 44 Ca 0.47 -0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.75 1ssy h SER 44 Cb 0.36 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1ssy h SER 44 CO -0.23 0.63 -0.36 -0.33 -0.53 0.00 0.00 176.83 176.01 1ssy h GLU 45 N 0.49 0.00 -0.04 2.24 4.39 -0.93 -2.64 114.58 118.10 1ssy h GLU 45 Ca 0.13 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1ssy h GLU 45 Cb 0.26 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1ssy h GLU 45 CO -0.00 0.36 -0.02 1.25 -1.16 0.00 0.00 179.01 179.44 1ssy h LEU 46 N 0.00 0.08 -1.44 1.33 5.85 -0.98 -2.99 115.31 117.16 1ssy h LEU 46 Ca -0.00 -0.40 0.06 0.00 0.84 0.00 0.00 57.88 58.38 1ssy h LEU 46 Cb 0.69 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1ssy h LEU 46 CO 0.05 0.47 0.44 0.44 -0.34 0.00 0.00 178.44 179.50 1ssy h ASP 47 N -0.30 0.59 0.44 1.25 3.32 -1.18 0.11 116.42 120.66 1ssy h ASP 47 Ca 0.01 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 1ssy h ASP 47 Cb 0.43 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1ssy h ASP 47 CO 0.01 0.38 -0.35 0.11 -1.72 0.00 0.00 179.24 177.67 1ssy h LYS 48 N 0.68 0.00 0.21 3.56 1.57 -1.44 0.49 116.57 121.63 1ssy h LYS 48 Ca 0.29 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.74 1ssy h LYS 48 Cb 0.28 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.61 1ssy h LYS 48 CO -0.09 0.35 -1.55 0.00 -0.57 0.00 0.00 179.45 177.59 1ssy h ALA 49 N 1.65 0.01 0.04 3.86 0.00 -0.88 -3.38 119.26 120.56 1ssy h ALA 49 Ca -0.00 -0.98 -0.05 0.00 0.00 0.00 0.00 54.91 53.87 1ssy h ALA 49 Cb 0.67 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1ssy h ALA 49 CO 0.05 0.88 -0.24 0.82 0.00 0.00 0.00 179.25 180.76 1ssy h ILE 50 N 0.12 1.71 0.00 0.00 1.08 -0.73 -3.49 117.51 116.19 1ssy h ILE 50 Ca -0.27 -2.39 0.00 0.00 -0.39 0.00 0.00 64.86 61.81 1ssy h ILE 50 Cb 2.11 3.33 0.00 0.00 -3.07 0.00 0.00 36.82 39.19 1ssy h ILE 50 CO 0.23 0.63 0.00 0.61 -0.69 0.00 0.00 178.15 178.93 1ssy n GLY 51 N 1.62 1.26 3.63 5.37 0.00 0.17 -5.08 105.19 112.17 1ssy n GLY 51 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1ssy n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ssy s ARG 52 N -0.27 2.12 -0.97 1.61 1.70 -1.23 -5.06 118.95 116.86 1ssy s ARG 52 Ca 0.00 -1.68 -0.18 0.00 -0.47 0.00 0.00 55.73 53.40 1ssy s ARG 52 Cb 0.00 0.53 0.13 0.00 -0.57 0.00 0.00 34.95 35.04 1ssy s ARG 52 CO 0.00 -0.94 1.18 1.21 -1.08 0.00 0.00 175.30 175.67 1ssy s ASN 53 N -3.19 6.68 0.28 -2.89 2.47 -1.26 -4.47 114.94 112.56 1ssy s ASN 53 Ca 0.24 -2.16 0.13 0.00 0.42 0.00 0.00 52.86 51.49 1ssy s ASN 53 Cb -0.03 -2.40 0.33 0.00 -1.45 0.00 0.00 41.25 37.70 1ssy s ASN 53 CO 0.18 -1.03 1.58 0.71 -3.72 0.00 0.00 177.10 174.81 1ssy h THR 54 N 5.70 1.26 -2.18 -5.21 1.35 -1.91 -3.47 112.91 108.46 1ssy h THR 54 Ca 0.18 -2.16 -0.39 0.00 -0.55 0.00 0.00 66.41 63.49 1ssy h THR 54 Cb 1.00 2.22 -0.08 0.00 -1.73 0.00 0.00 68.15 69.56 1ssy h THR 54 CO 1.13 0.58 -0.42 -3.20 -0.25 0.00 0.00 175.52 173.36 1ssy n ASN 55 N -3.59 -5.27 0.00 5.36 5.15 -1.26 -2.02 115.26 113.62 1ssy n ASN 55 Ca -0.00 0.24 0.00 0.00 -0.60 0.00 0.00 54.58 54.22 1ssy n ASN 55 Cb 0.65 -4.54 0.00 0.00 -0.53 0.00 0.00 39.78 35.36 1ssy n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ssy n GLY 56 N -0.68 0.79 2.83 8.20 0.00 -1.26 -5.05 105.19 110.02 1ssy n GLY 56 Ca -0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 1ssy n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ssy s VAL 57 N -2.11 0.34 0.32 1.61 1.01 -0.86 -2.69 120.40 118.03 1ssy s VAL 57 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.09 1ssy s VAL 57 Cb 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 36.38 35.88 1ssy s VAL 57 CO 0.00 0.20 -0.06 0.27 0.00 0.00 0.00 175.10 175.51 1ssy s ILE 58 N 1.25 1.93 0.77 2.22 -4.36 -0.55 -4.73 121.20 117.73 1ssy s ILE 58 Ca -0.06 -2.14 -0.10 0.00 -0.26 0.00 0.00 60.65 58.08 1ssy s ILE 58 Cb -0.13 -2.61 0.07 0.00 1.25 0.00 0.00 42.46 41.03 1ssy s ILE 58 CO -0.02 -0.21 1.13 0.42 0.24 0.00 0.00 174.94 176.50 1ssy s THR 59 N -2.81 2.19 0.13 8.37 -4.23 -1.26 -4.84 115.64 113.18 1ssy s THR 59 Ca 0.32 -0.04 -0.17 0.00 -1.18 0.00 0.00 61.69 60.62 1ssy s THR 59 Cb 0.04 -3.04 -0.02 0.00 1.34 0.00 0.00 72.50 70.82 1ssy s THR 59 CO 0.15 -0.05 1.70 0.50 -0.54 0.00 0.00 174.62 176.39 1ssy h LYS 60 N -0.90 0.51 -0.91 3.99 3.64 -1.98 -0.39 116.57 120.52 1ssy h LYS 60 Ca -0.45 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 58.88 1ssy h LYS 60 Cb 1.32 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 1ssy h LYS 60 CO 0.64 0.46 0.60 -0.44 -2.27 0.00 0.00 179.45 178.44 1ssy h ASP 61 N 0.43 1.01 -0.34 4.20 5.19 -1.98 0.22 116.42 125.16 1ssy h ASP 61 Ca 0.12 -0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.39 1ssy h ASP 61 Cb 0.12 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 1ssy h ASP 61 CO -0.02 0.70 -0.29 -0.33 -3.12 0.00 0.00 179.24 176.19 1ssy h GLU 62 N 1.18 0.80 -0.68 3.56 5.08 -1.87 -1.11 114.58 121.54 1ssy h GLU 62 Ca 0.36 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1ssy h GLU 62 Cb -0.04 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1ssy h GLU 62 CO -0.10 1.04 0.36 0.00 -1.00 0.00 0.00 179.01 179.31 1ssy h ALA 63 N 0.75 0.87 0.00 3.43 0.00 -0.51 -1.89 119.26 121.91 1ssy h ALA 63 Ca 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ssy h ALA 63 Cb 0.87 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ssy h ALA 63 CO 0.08 0.39 -0.12 0.93 0.00 0.00 0.00 179.25 180.52 1ssy h GLU 64 N 0.93 0.00 -0.14 0.00 5.08 -0.48 -1.18 114.58 118.79 1ssy h GLU 64 Ca 0.24 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.47 1ssy h GLU 64 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1ssy h GLU 64 CO -0.04 0.12 -0.41 -0.22 -1.00 0.00 0.00 179.01 177.47 1ssy h LYS 65 N 0.00 0.52 -0.51 2.33 3.64 -0.52 0.37 116.57 122.41 1ssy h LYS 65 Ca -0.00 -0.38 0.01 0.00 -1.27 0.00 0.00 60.65 59.01 1ssy h LYS 65 Cb 0.72 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 1ssy h LYS 65 CO 0.02 1.00 0.33 -0.07 -2.27 0.00 0.00 179.45 178.46 1ssy h LEU 66 N 0.14 0.57 0.02 5.20 3.38 -1.14 -1.78 115.31 121.71 1ssy h LEU 66 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ssy h LEU 66 Cb 1.03 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1ssy h LEU 66 CO 0.09 0.41 -0.02 0.15 0.09 0.00 0.00 178.44 179.16 1ssy h PHE 67 N 0.68 -0.04 -0.74 1.13 3.57 -1.12 -1.56 116.94 118.85 1ssy h PHE 67 Ca 0.19 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.75 1ssy h PHE 67 Cb -0.07 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.63 1ssy h PHE 67 CO -0.04 -0.03 0.43 -0.91 -2.23 0.00 0.00 178.31 175.53 1ssy h ASN 68 N -0.04 0.65 -0.37 0.41 4.21 -0.74 -1.00 115.58 118.70 1ssy h ASN 68 Ca 0.00 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.52 1ssy h ASN 68 Cb 0.04 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.12 1ssy h ASN 68 CO -0.00 0.41 0.14 1.56 -1.29 0.00 0.00 177.43 178.25 1ssy h GLN 69 N 0.78 0.56 -0.35 0.81 4.20 -1.00 -1.76 115.11 118.35 1ssy h GLN 69 Ca 0.33 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.89 1ssy h GLN 69 Cb 0.21 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1ssy h GLN 69 CO -0.19 0.54 -0.01 -0.44 -0.67 0.00 0.00 178.83 178.07 1ssy h ASP 70 N 0.45 0.51 0.03 1.46 3.32 -0.82 0.14 116.42 121.52 1ssy h ASP 70 Ca 0.12 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 1ssy h ASP 70 Cb 0.20 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1ssy h ASP 70 CO -0.01 0.59 -0.31 0.58 -1.72 0.00 0.00 179.24 178.37 1ssy h VAL 71 N 0.52 1.28 -0.20 -1.35 2.07 -0.94 -1.80 116.25 115.83 1ssy h VAL 71 Ca 0.11 -1.35 -0.14 0.00 0.82 0.00 0.00 66.70 66.15 1ssy h VAL 71 Cb 0.35 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1ssy h VAL 71 CO 0.01 0.42 -0.45 -0.78 0.02 0.00 0.00 177.57 176.79 1ssy h ASP 72 N 0.36 0.54 -0.40 0.57 3.58 -0.38 -2.17 116.42 118.52 1ssy h ASP 72 Ca 0.05 -0.25 -0.09 0.00 0.42 0.00 0.00 57.03 57.15 1ssy h ASP 72 Cb 0.72 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1ssy h ASP 72 CO 0.06 0.92 -0.12 0.00 -2.88 0.00 0.00 179.24 177.22 1ssy h ALA 73 N 1.10 0.55 -0.73 -0.78 0.00 -0.65 -0.87 119.26 117.88 1ssy h ALA 73 Ca 0.03 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ssy h ALA 73 Cb 0.95 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1ssy h ALA 73 CO 0.08 0.43 0.44 0.00 0.00 0.00 0.00 179.25 180.21 1ssy h ALA 74 N 0.83 0.93 -0.29 0.00 0.00 -1.21 0.16 119.26 119.69 1ssy h ALA 74 Ca 0.10 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1ssy h ALA 74 Cb 0.65 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ssy h ALA 74 CO 0.04 0.40 -0.30 0.28 0.00 0.00 0.00 179.25 179.67 1ssy h VAL 75 N 1.00 1.28 -0.30 0.00 2.07 -1.23 -2.66 116.25 116.40 1ssy h VAL 75 Ca 0.26 -1.41 -0.06 0.00 0.82 0.00 0.00 66.70 66.31 1ssy h VAL 75 Cb -0.04 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1ssy h VAL 75 CO -0.05 0.45 -0.06 -0.09 0.02 0.00 0.00 177.57 177.84 1ssy h ARG 76 N 0.51 0.58 -0.76 1.57 9.65 -0.52 -2.66 114.38 122.74 1ssy h ARG 76 Ca 0.06 -0.22 0.10 0.00 -1.10 0.00 0.00 59.98 58.82 1ssy h ARG 76 Cb 0.78 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 29.28 1ssy h ARG 76 CO 0.06 0.76 0.50 0.78 2.80 0.00 0.00 179.97 184.87 1ssy h GLY 77 N 0.35 0.97 0.54 2.80 0.00 -0.58 -1.26 103.07 105.89 1ssy h GLY 77 Ca 0.08 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1ssy h GLY 77 CO 0.03 0.16 -0.00 -2.22 0.00 0.00 0.00 176.54 174.51 1ssy h ILE 78 N 0.68 1.35 0.00 2.60 2.04 -1.30 -2.94 117.51 119.94 1ssy h ILE 78 Ca 0.35 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1ssy h ILE 78 Cb 0.46 2.08 -0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1ssy h ILE 78 CO -0.13 0.28 -0.12 -0.07 0.00 0.00 0.00 178.15 178.11 1ssy h LEU 79 N -0.47 0.00 -1.09 1.44 3.38 -1.09 -2.26 115.31 115.21 1ssy h LEU 79 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ssy h LEU 79 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ssy h LEU 79 CO 0.00 0.12 -0.08 -2.11 0.09 0.00 0.00 178.44 176.46 1ssy n ARG 80 N -3.70 1.63 -3.82 1.13 1.85 -0.52 -4.82 116.66 108.40 1ssy n ARG 80 Ca -0.02 -1.09 -0.35 0.00 -1.00 0.00 0.00 57.85 55.39 1ssy n ARG 80 Cb 0.23 -1.48 -0.09 0.00 -1.05 0.00 0.00 32.46 30.08 1ssy n ARG 80 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1ssy s ASN 81 N -2.13 5.97 0.53 2.89 3.84 -0.88 -5.00 114.94 120.16 1ssy s ASN 81 Ca 0.32 0.16 0.26 0.00 0.21 0.00 0.00 52.86 53.81 1ssy s ASN 81 Cb 0.20 -2.04 1.48 0.00 -0.55 0.00 0.00 41.25 40.34 1ssy s ASN 81 CO 0.38 0.16 2.11 0.00 -2.79 0.00 0.00 177.10 176.96 1ssy h ALA 82 N 6.79 1.40 0.04 1.71 0.00 -1.89 -2.03 119.26 125.28 1ssy h ALA 82 Ca -0.39 -0.09 -0.34 0.00 0.00 0.00 0.00 54.91 54.09 1ssy h ALA 82 Cb 1.16 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1ssy h ALA 82 CO 0.73 0.12 -2.05 1.63 0.00 0.00 0.00 179.25 179.68 1ssy n LYS 83 N -3.79 0.69 -0.03 0.00 5.02 -1.26 -4.45 118.16 114.33 1ssy n LYS 83 Ca -0.02 0.21 -0.15 0.00 -2.02 0.00 0.00 58.31 56.32 1ssy n LYS 83 Cb 0.20 -1.67 -0.12 0.00 -0.02 0.00 0.00 35.03 33.42 1ssy n LYS 83 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1ssy h LEU 84 N 0.02 0.18 -0.76 -0.35 3.38 -1.79 -3.35 115.31 112.65 1ssy h LEU 84 Ca -0.42 -0.82 0.11 0.00 0.09 0.00 0.00 57.88 56.84 1ssy h LEU 84 Cb 2.05 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 42.62 1ssy h LEU 84 CO 0.05 0.97 -0.42 0.50 0.09 0.00 0.00 178.44 179.62 1ssy h LYS 85 N -0.60 -0.12 0.00 1.13 1.63 -1.07 0.17 116.57 117.72 1ssy h LYS 85 Ca -0.03 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1ssy h LYS 85 Cb 1.01 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.67 1ssy h LYS 85 CO 0.04 -0.08 -0.08 -1.00 -3.45 0.00 0.00 179.45 174.88 1ssy h PRO 86 N -0.12 0.00 0.00 1.90 0.13 -1.78 0.14 132.00 132.27 1ssy h PRO 86 Ca 0.24 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.25 1ssy h PRO 86 Cb 0.55 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.69 1ssy h PRO 86 CO -0.81 0.08 -0.46 0.28 -0.23 0.00 0.00 178.00 176.86 1ssy h VAL 87 N 0.00 1.48 -0.47 1.56 2.07 -1.23 -3.11 116.25 116.56 1ssy h VAL 87 Ca -0.00 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.47 1ssy h VAL 87 Cb 0.17 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 1ssy h VAL 87 CO 0.01 0.58 0.29 0.22 0.02 0.00 0.00 177.57 178.70 1ssy h TYR 88 N -0.29 0.60 -0.60 1.57 5.03 -0.60 -2.33 116.97 120.35 1ssy h TYR 88 Ca -0.06 0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.34 1ssy h TYR 88 Cb 1.20 -0.20 -0.04 0.00 1.55 0.00 0.00 36.73 39.25 1ssy h TYR 88 CO 0.16 0.40 0.40 -0.44 -1.32 0.00 0.00 178.16 177.37 1ssy h ASP 89 N 0.62 0.42 0.98 -2.11 3.32 -0.80 -2.37 116.42 116.49 1ssy h ASP 89 Ca 0.17 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1ssy h ASP 89 Cb -0.04 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1ssy h ASP 89 CO -0.03 0.26 -0.28 -1.54 -1.72 0.00 0.00 179.24 175.93 1ssy n SER 90 N -4.47 0.51 -4.88 6.45 3.41 -0.91 -4.91 113.62 108.82 1ssy n SER 90 Ca 0.09 0.26 -0.30 0.00 -0.26 0.00 0.00 58.87 58.66 1ssy n SER 90 Cb 0.33 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.00 1ssy n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ssy s LEU 91 N -3.74 3.94 0.99 1.04 1.43 -0.89 -5.08 118.68 116.36 1ssy s LEU 91 Ca 0.10 1.04 -0.16 0.00 -1.03 0.00 0.00 54.13 54.09 1ssy s LEU 91 Cb 0.15 -3.89 0.20 0.00 0.03 0.00 0.00 46.19 42.68 1ssy s LEU 91 CO 0.64 -0.30 1.23 1.51 0.23 0.00 0.00 176.35 179.65 1ssy s ASP 92 N -2.98 2.85 0.33 2.29 1.47 -1.26 -4.79 116.67 114.58 1ssy s ASP 92 Ca 0.50 0.52 0.03 0.00 1.18 0.00 0.00 52.55 54.78 1ssy s ASP 92 Cb -0.10 -0.75 0.57 0.00 -0.34 0.00 0.00 42.92 42.29 1ssy s ASP 92 CO 0.28 -2.92 1.89 0.00 0.68 0.00 0.00 175.17 175.11 1ssy h ALA 93 N -1.76 1.38 -0.10 2.11 0.00 -1.98 -1.68 119.26 117.23 1ssy h ALA 93 Ca -0.46 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.21 1ssy h ALA 93 Cb 1.27 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ssy h ALA 93 CO 0.44 0.45 -0.23 0.28 0.00 0.00 0.00 179.25 180.19 1ssy h VAL 94 N 0.64 1.39 -0.18 0.00 2.07 -1.93 -2.95 116.25 115.30 1ssy h VAL 94 Ca 0.15 -1.53 -0.08 0.00 0.82 0.00 0.00 66.70 66.05 1ssy h VAL 94 Cb 0.23 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1ssy h VAL 94 CO -0.01 0.44 -0.24 0.03 0.02 0.00 0.00 177.57 177.82 1ssy h ARG 95 N -0.11 0.33 -0.71 1.57 3.08 -1.83 -1.69 114.38 115.02 1ssy h ARG 95 Ca -0.00 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 59.98 1ssy h ARG 95 Cb 0.83 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.81 1ssy h ARG 95 CO 0.05 0.56 0.47 0.00 -1.07 0.00 0.00 179.97 179.98 1ssy h ARG 96 N 0.30 0.82 -0.10 0.04 3.08 -1.30 0.12 114.38 117.34 1ssy h ARG 96 Ca 0.05 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1ssy h ARG 96 Cb 0.59 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1ssy h ARG 96 CO 0.04 0.54 -0.24 0.00 -1.07 0.00 0.00 179.97 179.25 1ssy h ALA 97 N 1.59 1.43 -0.05 0.04 0.00 -1.12 -1.38 119.26 119.77 1ssy h ALA 97 Ca 0.29 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1ssy h ALA 97 Cb 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ssy h ALA 97 CO -0.08 0.41 -0.64 0.00 0.00 0.00 0.00 179.25 178.93 1ssy h ALA 98 N 1.61 0.83 -0.21 0.00 0.00 -0.85 -1.33 119.26 119.31 1ssy h ALA 98 Ca 0.03 -0.57 -0.19 0.00 0.00 0.00 0.00 54.91 54.17 1ssy h ALA 98 Cb 0.51 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1ssy h ALA 98 CO 0.04 0.76 -0.62 1.25 0.00 0.00 0.00 179.25 180.68 1ssy h LEU 99 N 0.13 0.90 -0.67 0.00 5.85 -0.54 -2.77 115.31 118.22 1ssy h LEU 99 Ca -0.01 -0.58 -0.03 0.00 0.84 0.00 0.00 57.88 58.10 1ssy h LEU 99 Cb 1.16 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 1ssy h LEU 99 CO 0.10 1.33 0.30 0.40 -0.34 0.00 0.00 178.44 180.22 1ssy h ILE 100 N 0.52 1.23 -0.65 4.05 2.04 -1.22 -1.82 117.51 121.66 1ssy h ILE 100 Ca -0.02 -0.68 0.04 0.00 1.00 0.00 0.00 64.86 65.20 1ssy h ILE 100 Cb 1.24 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 1ssy h ILE 100 CO 0.13 0.28 0.39 -1.13 0.00 0.00 0.00 178.15 177.82 1ssy h ASN 101 N 0.93 0.63 -0.07 1.72 -0.73 -1.17 0.67 115.58 117.55 1ssy h ASN 101 Ca 0.23 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.39 1ssy h ASN 101 Cb 0.15 -0.12 -0.00 0.00 0.27 0.00 0.00 38.32 38.62 1ssy h ASN 101 CO -0.02 0.43 0.00 0.24 -0.37 0.00 0.00 177.43 177.71 1ssy h MET 102 N 0.76 0.12 -0.59 6.67 2.86 -1.18 -2.04 114.93 121.53 1ssy h MET 102 Ca 0.27 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.93 1ssy h MET 102 Cb 0.06 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 1ssy h MET 102 CO -0.12 0.38 0.31 0.28 1.06 0.00 0.00 176.91 178.81 1ssy h VAL 103 N -0.15 0.95 -0.87 -2.22 2.07 -1.09 0.15 116.25 115.10 1ssy h VAL 103 Ca 0.02 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.38 1ssy h VAL 103 Cb 0.32 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 1ssy h VAL 103 CO 0.00 0.11 0.57 0.15 0.02 0.00 0.00 177.57 178.42 1ssy h PHE 104 N 0.59 1.02 0.14 1.57 3.04 -0.78 0.83 116.94 123.35 1ssy h PHE 104 Ca 0.26 0.03 -0.23 0.00 3.98 0.00 0.00 57.97 62.01 1ssy h PHE 104 Cb 0.17 -0.34 0.03 0.00 2.56 0.00 0.00 35.95 38.36 1ssy h PHE 104 CO -0.09 0.57 -1.00 0.37 -2.02 0.00 0.00 178.31 176.15 1ssy h GLN 105 N 1.04 0.43 0.00 1.11 4.15 -0.49 -3.40 115.11 117.95 1ssy h GLN 105 Ca 0.35 -0.65 0.00 0.00 0.77 0.00 0.00 58.65 59.13 1ssy h GLN 105 Cb 0.09 0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1ssy h GLN 105 CO -0.12 1.29 -1.26 -1.33 -1.93 0.00 0.00 178.83 175.48 1ssy n MET 106 N -4.00 1.20 0.00 1.69 2.81 0.43 -5.11 117.12 114.15 1ssy n MET 106 Ca -0.14 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.67 1ssy n MET 106 Cb 0.89 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 32.17 1ssy n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ssy n GLY 107 N 1.62 1.65 0.37 3.03 0.00 0.29 -4.24 105.19 107.91 1ssy n GLY 107 Ca -0.01 -1.75 0.02 0.00 0.00 0.00 0.00 46.02 44.28 1ssy n GLY 107 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1ssy h GLU 108 N 0.00 1.10 0.17 1.61 4.11 -1.92 -2.58 114.58 117.07 1ssy h GLU 108 Ca 0.00 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 1ssy h GLU 108 Cb 0.00 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.00 1ssy h GLU 108 CO 0.00 0.73 -0.08 1.15 0.07 0.00 0.00 179.01 180.88 1ssy h THR 109 N 1.14 0.93 -0.27 -1.06 2.02 -1.96 -1.18 112.91 112.52 1ssy h THR 109 Ca 0.37 -0.51 0.06 0.00 0.77 0.00 0.00 66.41 67.11 1ssy h THR 109 Cb 0.06 1.24 -0.07 0.00 -1.74 0.00 0.00 68.15 67.63 1ssy h THR 109 CO -0.12 0.12 -0.24 1.23 0.37 0.00 0.00 175.52 176.87 1ssy h GLY 110 N -0.48 -0.15 1.26 2.16 0.00 -1.70 -2.22 103.07 101.93 1ssy h GLY 110 Ca -0.02 0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.58 1ssy h GLY 110 CO 0.04 -0.20 0.28 -2.08 0.00 0.00 0.00 176.54 174.58 1ssy h VAL 111 N -0.24 1.22 0.00 4.60 2.07 -1.45 -2.07 116.25 120.39 1ssy h VAL 111 Ca 0.14 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1ssy h VAL 111 Cb 0.46 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1ssy h VAL 111 CO -0.40 0.27 0.00 0.00 0.02 0.00 0.00 177.57 177.46 1ssy h ALA 112 N 1.37 1.00 0.00 1.67 0.00 -0.60 -1.98 119.26 120.71 1ssy h ALA 112 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ssy h ALA 112 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ssy h ALA 112 CO -0.02 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.01 1ssy h GLY 113 N 0.02 0.00 -5.00 0.00 0.00 -1.08 -3.35 103.07 93.66 1ssy h GLY 113 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 1ssy h GLY 113 CO 0.00 0.00 3.84 0.69 0.00 0.00 0.00 176.54 181.07 1ssy n PHE 114 N -2.88 2.40 -0.14 5.60 3.01 -0.75 -4.73 117.46 119.97 1ssy n PHE 114 Ca 0.03 -3.09 0.03 0.00 1.01 0.00 0.00 57.45 55.43 1ssy n PHE 114 Cb 0.41 -2.49 0.32 0.00 -0.01 0.00 0.00 39.48 37.71 1ssy n PHE 114 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1ssy h THR 115 N 3.00 1.14 0.07 4.37 1.35 -1.85 -1.26 112.91 119.73 1ssy h THR 115 Ca 0.87 -0.28 -0.00 0.00 -0.55 0.00 0.00 66.41 66.45 1ssy h THR 115 Cb 0.29 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 66.94 1ssy h THR 115 CO 1.78 0.15 -0.03 0.78 -0.25 0.00 0.00 175.52 177.95 1ssy h ASN 116 N 0.83 -0.08 -0.65 5.36 2.35 -1.96 -2.64 115.58 118.78 1ssy h ASN 116 Ca 0.24 -0.52 0.08 0.00 -0.55 0.00 0.00 56.30 55.55 1ssy h ASN 116 Cb -0.04 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 1ssy h ASN 116 CO -0.06 0.53 0.43 0.28 -1.65 0.00 0.00 177.43 176.96 1ssy h SER 117 N -0.74 0.52 -0.35 5.81 0.02 -1.91 -0.53 113.55 116.36 1ssy h SER 117 Ca -0.01 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1ssy h SER 117 Cb 0.59 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1ssy h SER 117 CO 0.02 0.33 -0.05 -0.07 -1.14 0.00 0.00 176.83 175.92 1ssy h LEU 118 N 0.59 0.65 -0.98 5.07 3.38 -1.27 0.18 115.31 122.93 1ssy h LEU 118 Ca 0.29 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1ssy h LEU 118 Cb 0.38 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1ssy h LEU 118 CO -0.09 0.84 0.16 -0.09 0.09 0.00 0.00 178.44 179.34 1ssy h ARG 119 N 0.45 0.90 -0.14 1.13 2.43 -1.02 -0.37 114.38 117.76 1ssy h ARG 119 Ca 0.09 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1ssy h ARG 119 Cb 0.53 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1ssy h ARG 119 CO 0.03 0.80 0.07 0.52 -1.51 0.00 0.00 179.97 179.88 1ssy h MET 120 N 0.87 0.20 -0.59 0.20 2.86 -0.67 -1.93 114.93 115.86 1ssy h MET 120 Ca 0.19 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 1ssy h MET 120 Cb 0.29 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1ssy h MET 120 CO -0.00 0.23 0.39 -0.07 1.06 0.00 0.00 176.91 178.51 1ssy h LEU 121 N 0.12 0.67 -0.79 1.22 3.38 -0.47 -1.72 115.31 117.71 1ssy h LEU 121 Ca 0.05 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1ssy h LEU 121 Cb 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1ssy h LEU 121 CO -0.01 0.48 -0.44 -0.61 0.09 0.00 0.00 178.44 177.96 1ssy h GLN 122 N 0.79 0.37 -0.28 1.13 4.15 -0.69 -2.66 115.11 117.91 1ssy h GLN 122 Ca 0.22 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1ssy h GLN 122 Cb -0.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1ssy h GLN 122 CO -0.05 0.74 0.00 1.04 -1.93 0.00 0.00 178.83 178.63 1ssy n GLN 123 N -4.00 1.70 -3.29 1.69 6.02 -0.76 -4.92 117.38 113.80 1ssy n GLN 123 Ca -0.02 -1.08 -0.22 0.00 -0.01 0.00 0.00 57.00 55.68 1ssy n GLN 123 Cb 0.51 -1.26 0.06 0.00 1.02 0.00 0.00 30.24 30.57 1ssy n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1ssy n LYS 124 N 0.36 -6.27 -3.24 -1.09 5.02 -1.00 -4.94 118.16 107.00 1ssy n LYS 124 Ca 0.11 0.80 -0.40 0.00 -2.02 0.00 0.00 58.31 56.80 1ssy n LYS 124 Cb 0.26 -5.60 -0.02 0.00 -0.02 0.00 0.00 35.03 29.65 1ssy n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ssy n ARG 125 N -4.32 3.67 -0.02 1.97 1.74 -0.70 -4.89 116.66 114.12 1ssy n ARG 125 Ca -0.04 -4.55 -0.09 0.00 -0.77 0.00 0.00 57.85 52.40 1ssy n ARG 125 Cb 0.58 -2.46 -0.04 0.00 -1.02 0.00 0.00 32.46 29.52 1ssy n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1ssy h TRP 126 N 5.54 -0.07 -0.69 -1.55 -0.00 -1.88 -0.84 115.95 116.46 1ssy h TRP 126 Ca 0.19 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 59.08 1ssy h TRP 126 Cb 0.70 0.06 -0.03 0.00 -0.00 0.00 0.00 29.16 29.88 1ssy h TRP 126 CO 0.87 -0.06 0.39 -0.44 -0.00 0.00 0.00 178.44 179.20 1ssy h ASP 127 N 0.00 0.85 -0.21 -3.49 3.45 -1.90 0.24 116.42 115.36 1ssy h ASP 127 Ca 0.07 -0.08 -0.09 0.00 0.43 0.00 0.00 57.03 57.36 1ssy h ASP 127 Cb 0.11 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 38.66 1ssy h ASP 127 CO -0.15 0.68 -0.21 -0.33 -1.57 0.00 0.00 179.24 177.67 1ssy h GLU 128 N 0.94 0.51 -0.84 3.56 5.08 -1.96 -2.48 114.58 119.40 1ssy h GLU 128 Ca 0.24 -0.27 0.08 0.00 -1.00 0.00 0.00 59.36 58.42 1ssy h GLU 128 Cb 0.01 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 1ssy h GLU 128 CO -0.04 0.85 0.50 0.00 -1.00 0.00 0.00 179.01 179.31 1ssy h ALA 129 N 0.65 1.18 -0.30 3.43 0.00 -0.93 -0.27 119.26 123.02 1ssy h ALA 129 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ssy h ALA 129 Cb 0.76 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1ssy h ALA 129 CO 0.05 0.17 0.14 0.00 0.00 0.00 0.00 179.25 179.61 1ssy h ALA 130 N 1.43 0.38 -0.60 0.00 0.00 -0.82 -0.86 119.26 118.79 1ssy h ALA 130 Ca 0.39 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1ssy h ALA 130 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1ssy h ALA 130 CO -0.22 -0.05 0.14 0.28 0.00 0.00 0.00 179.25 179.40 1ssy h VAL 131 N 0.35 1.25 -0.61 0.00 2.07 -0.95 0.06 116.25 118.42 1ssy h VAL 131 Ca 0.10 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 1ssy h VAL 131 Cb 0.12 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1ssy h VAL 131 CO -0.01 0.34 0.13 0.78 0.02 0.00 0.00 177.57 178.83 1ssy h ASN 132 N 0.88 0.91 0.22 0.57 2.35 -0.89 -2.56 115.58 117.06 1ssy h ASN 132 Ca 0.19 -0.19 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 1ssy h ASN 132 Cb 0.36 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1ssy h ASN 132 CO 0.00 0.90 -0.52 -0.07 -1.65 0.00 0.00 177.43 176.09 1ssy h LEU 133 N 0.92 0.37 -1.82 1.61 3.38 -0.82 -3.02 115.31 115.92 1ssy h LEU 133 Ca 0.19 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ssy h LEU 133 Cb 0.36 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ssy h LEU 133 CO 0.00 0.83 0.00 0.00 0.09 0.00 0.00 178.44 179.36 1ssy h ALA 134 N 1.19 1.00 -0.63 1.53 0.00 -0.56 -2.44 119.26 119.34 1ssy h ALA 134 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.54 1ssy h ALA 134 Cb 1.01 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.57 1ssy h ALA 134 CO 0.09 0.00 0.07 0.36 0.00 0.00 0.00 179.25 179.77 1ssy n LYS 135 N -2.64 2.34 -2.97 0.00 2.85 -1.14 -4.81 118.16 111.79 1ssy n LYS 135 Ca -0.01 -3.35 -0.18 0.00 -1.05 0.00 0.00 58.31 53.72 1ssy n LYS 135 Cb 0.12 -2.03 0.03 0.00 -0.65 0.00 0.00 35.03 32.49 1ssy n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1ssy s SER 136 N -2.41 5.45 0.19 -5.58 1.04 -0.92 -5.00 113.70 106.47 1ssy s SER 136 Ca 0.51 -0.49 0.03 0.00 0.48 0.00 0.00 55.95 56.48 1ssy s SER 136 Cb 0.44 -0.42 0.10 0.00 0.10 0.00 0.00 66.02 66.24 1ssy s SER 136 CO 0.02 -0.97 1.45 -0.09 0.98 0.00 0.00 173.24 174.63 1ssy h ARG 137 N 0.44 0.22 -0.05 4.02 9.65 -1.94 -3.02 114.38 123.70 1ssy h ARG 137 Ca -0.38 -0.20 0.02 0.00 -1.10 0.00 0.00 59.98 58.33 1ssy h ARG 137 Cb 1.28 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.89 1ssy h ARG 137 CO 0.44 0.88 -0.06 2.35 2.80 0.00 0.00 179.97 186.38 1ssy h TRP 138 N 0.14 -0.14 -0.41 2.20 7.01 -1.94 -1.40 115.95 121.40 1ssy h TRP 138 Ca -0.03 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.02 1ssy h TRP 138 Cb 1.34 0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 28.43 1ssy h TRP 138 CO 0.03 -0.09 0.18 -0.92 -2.79 0.00 0.00 178.44 174.84 1ssy h TYR 139 N -0.08 0.32 -0.73 2.65 3.20 -1.80 -1.84 116.97 118.70 1ssy h TYR 139 Ca 0.04 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.00 1ssy h TYR 139 Cb 0.14 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 1ssy h TYR 139 CO -0.15 0.15 0.48 -0.91 -1.64 0.00 0.00 178.16 176.08 1ssy h ASN 140 N 0.36 0.67 -0.00 -2.11 -0.26 -1.33 -1.42 115.58 111.49 1ssy h ASN 140 Ca 0.18 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.92 1ssy h ASN 140 Cb 0.13 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 1ssy h ASN 140 CO -0.16 0.43 -0.01 -0.61 -1.06 0.00 0.00 177.43 176.02 1ssy h GLN 141 N 0.76 0.02 -2.63 0.81 5.75 -0.62 -3.40 115.11 115.79 1ssy h GLN 141 Ca 0.31 -0.01 -0.60 0.00 -0.15 0.00 0.00 58.65 58.20 1ssy h GLN 141 Cb 0.26 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 28.41 1ssy h GLN 141 CO -0.10 0.67 -0.77 0.25 -2.65 0.00 0.00 178.83 176.23 1ssy n THR 142 N -4.76 0.51 0.02 2.39 -2.24 -0.75 -5.00 114.28 104.45 1ssy n THR 142 Ca -0.09 -4.32 -0.10 0.00 -2.27 0.00 0.00 64.05 57.27 1ssy n THR 142 Cb 0.33 -1.97 -0.03 0.00 -2.10 0.00 0.00 70.33 66.56 1ssy n THR 142 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1ssy h PRO 143 N 5.21 -0.29 0.01 -0.78 0.11 -1.48 -0.33 132.00 134.45 1ssy h PRO 143 Ca 0.19 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 1ssy h PRO 143 Cb 0.81 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1ssy h PRO 143 CO 0.59 -0.19 -0.00 -0.91 -0.21 0.00 0.00 178.00 177.27 1ssy h ASN 144 N -0.30 -0.01 -0.18 -2.05 -0.26 -1.94 -0.47 115.58 110.36 1ssy h ASN 144 Ca 0.09 -0.21 -0.00 0.00 -0.56 0.00 0.00 56.30 55.61 1ssy h ASN 144 Cb 0.43 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 1ssy h ASN 144 CO -0.27 0.21 0.09 -0.09 -1.06 0.00 0.00 177.43 176.31 1ssy h ARG 145 N -0.23 0.25 -0.36 0.81 2.43 -1.96 -1.97 114.38 113.36 1ssy h ARG 145 Ca -0.00 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1ssy h ARG 145 Cb 0.22 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1ssy h ARG 145 CO 0.00 0.27 0.11 0.00 -1.51 0.00 0.00 179.97 178.84 1ssy h ALA 146 N 0.97 1.52 -0.23 2.80 0.00 -1.03 -1.26 119.26 122.03 1ssy h ALA 146 Ca 0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1ssy h ALA 146 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ssy h ALA 146 CO -0.01 0.36 0.01 -0.22 0.00 0.00 0.00 179.25 179.39 1ssy h LYS 147 N 0.51 0.41 -0.70 0.00 3.64 -0.75 0.21 116.57 119.88 1ssy h LYS 147 Ca 0.12 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1ssy h LYS 147 Cb 0.16 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1ssy h LYS 147 CO -0.01 0.58 0.44 0.00 -2.27 0.00 0.00 179.45 178.19 1ssy h ARG 148 N 0.18 0.82 -0.52 1.90 3.08 -0.71 -0.08 114.38 119.06 1ssy h ARG 148 Ca 0.07 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1ssy h ARG 148 Cb 0.40 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1ssy h ARG 148 CO 0.01 0.54 -0.13 0.28 -1.07 0.00 0.00 179.97 179.61 1ssy h VAL 149 N 0.85 1.27 -0.37 2.04 2.07 -1.08 -2.23 116.25 118.79 1ssy h VAL 149 Ca 0.28 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1ssy h VAL 149 Cb 0.03 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1ssy h VAL 149 CO -0.11 0.45 0.10 0.40 0.02 0.00 0.00 177.57 178.42 1ssy h ILE 150 N 0.87 1.22 -0.59 4.57 2.04 -0.55 -1.68 117.51 123.39 1ssy h ILE 150 Ca 0.13 -0.75 0.07 0.00 1.00 0.00 0.00 64.86 65.32 1ssy h ILE 150 Cb 0.68 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 1ssy h ILE 150 CO 0.05 0.26 0.40 0.74 0.00 0.00 0.00 178.15 179.59 1ssy h THR 151 N 0.45 0.97 -0.15 -0.27 2.02 -0.89 0.22 112.91 115.26 1ssy h THR 151 Ca 0.12 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 1ssy h THR 151 Cb 0.29 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1ssy h THR 151 CO -0.00 0.10 -0.16 0.74 0.37 0.00 0.00 175.52 176.57 1ssy h THR 152 N 0.53 1.35 -0.85 3.16 2.02 -0.95 0.81 112.91 118.98 1ssy h THR 152 Ca 0.26 -1.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.09 1ssy h THR 152 Cb 0.34 1.88 -0.04 0.00 -1.74 0.00 0.00 68.15 68.60 1ssy h THR 152 CO -0.08 0.39 0.47 -0.26 0.37 0.00 0.00 175.52 176.41 1ssy h PHE 153 N 0.00 1.17 0.50 3.16 0.04 -0.45 0.38 116.94 121.74 1ssy h PHE 153 Ca 0.02 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1ssy h PHE 153 Cb 0.70 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1ssy h PHE 153 CO 0.09 0.81 -0.24 -0.09 -0.60 0.00 0.00 178.31 178.28 1ssy h ARG 154 N 1.19 -0.65 0.00 1.51 2.43 -0.42 -3.36 114.38 115.07 1ssy h ARG 154 Ca 0.30 0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.37 1ssy h ARG 154 Cb 0.03 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1ssy h ARG 154 CO -0.05 -0.35 -0.82 1.79 -1.51 0.00 0.00 179.97 179.03 1ssy h THR 155 N -1.01 0.99 -0.17 0.20 1.35 -0.87 -3.45 112.91 109.95 1ssy h THR 155 Ca -0.07 -2.47 -0.07 0.00 -0.55 0.00 0.00 66.41 63.24 1ssy h THR 155 Cb 0.60 2.45 -0.03 0.00 -1.73 0.00 0.00 68.15 69.45 1ssy h THR 155 CO 0.11 0.57 -0.07 0.61 -0.25 0.00 0.00 175.52 176.49 1ssy n GLY 156 N 1.30 0.65 3.49 5.82 0.00 0.12 -5.00 105.19 111.56 1ssy n GLY 156 Ca -0.01 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 1ssy n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ssy s THR 157 N -2.06 0.91 -0.86 2.61 -4.23 -1.26 -4.81 115.64 105.95 1ssy s THR 157 Ca 0.00 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 1ssy s THR 157 Cb 0.00 -2.57 0.71 0.00 1.34 0.00 0.00 72.50 71.98 1ssy s THR 157 CO 0.00 0.00 1.61 0.79 -0.54 0.00 0.00 174.62 176.48 1ssy n TRP 158 N -0.80 1.60 -0.22 3.99 7.02 -1.26 -4.57 117.44 123.21 1ssy n TRP 158 Ca -0.04 -0.60 0.14 0.00 -1.02 0.00 0.00 57.50 55.97 1ssy n TRP 158 Cb 0.66 -0.33 0.44 0.00 -2.42 0.00 0.00 31.31 29.66 1ssy n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1ssy h ASP 159 N 3.80 0.53 0.78 -0.99 3.32 -1.97 -0.83 116.42 121.06 1ssy h ASP 159 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1ssy h ASP 159 Cb 1.56 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.04 1ssy h ASP 159 CO 0.31 0.27 0.00 0.00 -1.72 0.00 0.00 179.24 178.10 1ssy h ALA 160 N 1.62 1.00 -0.01 3.45 0.00 -1.89 -1.53 119.26 121.89 1ssy h ALA 160 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1ssy h ALA 160 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ssy h ALA 160 CO -0.16 0.00 -0.32 0.66 0.00 0.00 0.00 179.25 179.43 1ssy n TYR 161 N -3.01 0.00 -0.04 0.00 4.02 -0.36 -4.37 117.16 113.40 1ssy n TYR 161 Ca -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 1ssy n TYR 161 Cb 0.25 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.44 1ssy n TYR 161 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1ssy n LYS 162 N 0.13 0.94 -3.32 -0.72 5.02 -0.93 -4.68 118.16 114.59 1ssy n LYS 162 Ca 0.08 -0.09 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1ssy n LYS 162 Cb 0.40 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.99 1ssy n LYS 162 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ssy n ASN 163 N -2.34 5.36 0.00 4.39 3.02 -0.62 -5.09 115.26 119.98 1ssy n ASN 163 Ca -0.14 -3.21 0.00 0.00 -0.03 0.00 0.00 54.58 51.20 1ssy n ASN 163 Cb 0.73 -1.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 1ssy n ASN 163 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82