#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss6 s SER 2 N 0.00 -0.66 0.00 1.61 0.01 -1.26 -4.98 113.70 108.41 1ss6 s SER 2 Ca 0.00 1.25 0.24 0.00 1.31 0.00 0.00 55.95 58.75 1ss6 s SER 2 Cb 0.00 1.67 0.31 0.00 0.21 0.00 0.00 66.02 68.21 1ss6 s SER 2 CO 0.00 -0.22 1.30 -0.62 0.41 0.00 0.00 173.24 174.10 1ss6 n GLU 3 N 5.24 1.27 -3.10 12.44 4.71 -1.26 -4.96 120.64 134.99 1ss6 n GLU 3 Ca -0.12 -0.96 -0.18 0.00 -0.01 0.00 0.00 57.16 55.89 1ss6 n GLU 3 Cb 0.50 -1.48 0.04 0.00 -1.01 0.00 0.00 31.44 29.50 1ss6 n GLU 3 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1ss6 n LYS 4 N -0.02 -5.00 -2.13 3.49 4.81 -1.26 -5.01 118.16 113.04 1ss6 n LYS 4 Ca 0.11 0.68 -0.16 0.00 -0.87 0.00 0.00 58.31 58.08 1ss6 n LYS 4 Cb 0.44 -5.14 0.07 0.00 0.02 0.00 0.00 35.03 30.42 1ss6 n LYS 4 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1ss6 n ARG 5 N -3.65 0.28 -0.76 1.64 5.12 -1.26 -5.00 116.66 113.03 1ss6 n ARG 5 Ca -0.04 -2.04 0.00 0.00 -1.93 0.00 0.00 57.85 53.84 1ss6 n ARG 5 Cb 0.57 -0.39 0.00 0.00 -1.16 0.00 0.00 32.46 31.49 1ss6 n ARG 5 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1ss6 n GLN 6 N -2.20 -1.70 -2.02 5.56 7.27 -1.26 -4.74 117.38 118.28 1ss6 n GLN 6 Ca 0.12 1.36 -0.42 0.00 0.07 0.00 0.00 57.00 58.13 1ss6 n GLN 6 Cb 0.43 -1.33 -0.01 0.00 2.41 0.00 0.00 30.24 31.74 1ss6 n GLN 6 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1ss6 n HIS 7 N 0.14 3.77 -1.39 3.69 -0.00 -1.26 -4.82 115.22 115.35 1ss6 n HIS 7 Ca 0.00 -2.74 -0.26 0.00 -0.00 0.00 0.00 57.72 54.73 1ss6 n HIS 7 Cb 0.00 -2.52 -0.08 0.00 -0.00 0.00 0.00 29.99 27.39 1ss6 n HIS 7 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1ss6 n SER 8 N 7.58 6.60 -1.53 0.26 7.64 -1.26 -4.31 113.62 128.60 1ss6 n SER 8 Ca 0.50 -2.89 0.03 0.00 1.01 0.00 0.00 58.87 57.52 1ss6 n SER 8 Cb 0.42 -1.35 0.31 0.00 -1.01 0.00 0.00 64.21 62.58 1ss6 n SER 8 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ss6 n SER 9 N 1.86 4.57 -0.04 6.43 3.41 -1.26 -3.81 113.62 124.78 1ss6 n SER 9 Ca 0.53 -3.13 -0.00 0.00 -0.26 0.00 0.00 58.87 56.01 1ss6 n SER 9 Cb 0.58 -0.65 0.29 0.00 -0.26 0.00 0.00 64.21 64.17 1ss6 n SER 9 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1ss6 h GLN 10 N 2.60 0.61 -2.95 4.33 4.20 -1.92 -3.46 115.11 118.52 1ss6 h GLN 10 Ca 0.10 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1ss6 h GLN 10 Cb 1.89 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.57 1ss6 h GLN 10 CO 0.47 0.57 -0.65 -3.47 -0.67 0.00 0.00 178.83 175.08 1ss6 n ASP 11 N -4.31 -6.98 -4.53 1.46 2.03 -1.26 -5.01 116.55 97.95 1ss6 n ASP 11 Ca 0.02 0.92 -0.25 0.00 0.52 0.00 0.00 54.79 56.01 1ss6 n ASP 11 Cb 0.21 -3.33 -0.11 0.00 -0.72 0.00 0.00 41.12 37.18 1ss6 n ASP 11 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1ss6 s VAL 12 N -1.27 1.92 -0.19 5.18 -7.23 0.11 -4.82 120.40 114.10 1ss6 s VAL 12 Ca 0.00 -2.11 -0.03 0.00 -1.81 0.00 0.00 61.98 58.04 1ss6 s VAL 12 Cb 0.00 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 1ss6 s VAL 12 CO 0.00 -0.14 -0.08 -1.00 -0.31 0.00 0.00 175.10 173.57 1ss6 s HIS 13 N -2.81 2.91 -0.44 2.82 3.76 -1.26 0.03 115.29 120.31 1ss6 s HIS 13 Ca 0.33 -0.89 -0.14 0.00 -0.15 0.00 0.00 55.06 54.21 1ss6 s HIS 13 Cb 0.06 -2.02 0.06 0.00 1.11 0.00 0.00 32.58 31.79 1ss6 s HIS 13 CO 0.16 -0.46 0.33 0.08 -0.85 0.00 0.00 174.74 174.00 1ss6 s VAL 14 N 1.13 4.95 -0.07 -0.90 1.01 0.13 -4.89 120.40 121.75 1ss6 s VAL 14 Ca 0.01 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 1ss6 s VAL 14 Cb -0.14 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1ss6 s VAL 14 CO -0.02 -0.48 1.42 0.54 0.00 0.00 0.00 175.10 176.56 1ss6 s VAL 15 N 1.59 3.87 -0.19 2.92 0.11 -1.26 -0.45 120.40 127.00 1ss6 s VAL 15 Ca 0.04 1.15 -0.07 0.00 -2.93 0.00 0.00 61.98 60.17 1ss6 s VAL 15 Cb -0.23 -3.74 -0.04 0.00 -1.53 0.00 0.00 36.38 30.85 1ss6 s VAL 15 CO 0.06 -0.06 0.05 -0.22 -3.33 0.00 0.00 175.10 171.60 1ss6 s LEU 16 N 3.16 3.64 -0.14 2.54 0.20 0.84 -0.66 118.68 128.26 1ss6 s LEU 16 Ca 0.63 -0.02 -0.05 0.00 0.69 0.00 0.00 54.13 55.38 1ss6 s LEU 16 Cb -0.29 -1.92 -0.04 0.00 -0.43 0.00 0.00 46.19 43.51 1ss6 s LEU 16 CO 0.23 0.13 0.05 -0.54 -0.29 0.00 0.00 176.35 175.94 1ss6 s LYS 17 N 0.63 3.54 -0.46 1.98 3.01 0.24 -0.39 119.74 128.29 1ss6 s LYS 17 Ca 0.02 -0.33 -0.14 0.00 -1.01 0.00 0.00 55.97 54.51 1ss6 s LYS 17 Cb -0.13 -3.06 0.07 0.00 -1.01 0.00 0.00 37.83 33.70 1ss6 s LYS 17 CO 0.02 0.51 0.36 -1.17 0.51 0.00 0.00 175.35 175.57 1ss6 s LEU 18 N -0.30 5.48 0.00 3.17 2.96 0.21 -1.34 118.68 128.86 1ss6 s LEU 18 Ca 0.08 -1.30 0.00 0.00 -0.22 0.00 0.00 54.13 52.69 1ss6 s LEU 18 Cb -0.12 -2.15 0.00 0.00 0.50 0.00 0.00 46.19 44.42 1ss6 s LEU 18 CO 0.02 -0.60 0.00 0.79 -1.32 0.00 0.00 176.35 175.23 1ss6 n TRP 19 N 5.15 -2.29 0.08 5.38 7.02 0.44 -0.33 117.44 132.90 1ss6 n TRP 19 Ca -0.12 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.20 1ss6 n TRP 19 Cb 0.44 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 29.19 1ss6 n TRP 19 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 1ss6 h LYS 20 N 0.00 0.26 0.07 -0.99 5.09 -1.76 -3.39 116.57 115.86 1ss6 h LYS 20 Ca 0.00 -0.45 -0.33 0.00 0.09 0.00 0.00 60.65 59.96 1ss6 h LYS 20 Cb 0.00 0.17 -0.03 0.00 0.10 0.00 0.00 32.23 32.47 1ss6 h LYS 20 CO 0.00 1.16 -1.85 0.45 -2.09 0.00 0.00 179.45 177.12 1ss6 n SER 21 N -3.49 2.03 0.00 7.07 2.88 -1.26 -4.97 113.62 115.88 1ss6 n SER 21 Ca -0.13 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1ss6 n SER 21 Cb 1.04 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 1ss6 n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ss6 n GLY 22 N 1.81 3.30 3.16 0.46 0.00 -1.26 -1.11 105.19 111.55 1ss6 n GLY 22 Ca -0.34 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 44.99 1ss6 n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ss6 s PHE 23 N -1.27 1.23 -0.10 1.61 -0.12 0.65 -0.42 117.98 119.57 1ss6 s PHE 23 Ca 0.00 -0.40 0.04 0.00 -0.05 0.00 0.00 56.93 56.51 1ss6 s PHE 23 Cb 0.00 -0.71 0.00 0.00 -0.63 0.00 0.00 43.02 41.68 1ss6 s PHE 23 CO 0.00 0.05 -0.23 0.45 -0.05 0.00 0.00 175.22 175.44 1ss6 s SER 24 N -1.43 2.94 -0.05 1.98 0.15 -0.45 0.07 113.70 116.90 1ss6 s SER 24 Ca -0.00 -0.53 0.03 0.00 0.70 0.00 0.00 55.95 56.15 1ss6 s SER 24 Cb -0.09 -1.34 -0.03 0.00 -1.71 0.00 0.00 66.02 62.85 1ss6 s SER 24 CO 0.02 0.14 -0.13 -1.48 1.20 0.00 0.00 173.24 172.99 1ss6 s LEU 25 N 0.39 2.80 -0.97 3.45 2.34 -1.25 0.82 118.68 126.26 1ss6 s LEU 25 Ca -0.18 -0.17 -0.25 0.00 0.06 0.00 0.00 54.13 53.59 1ss6 s LEU 25 Cb -0.18 -1.58 -0.10 0.00 -0.56 0.00 0.00 46.19 43.77 1ss6 s LEU 25 CO 0.08 0.34 2.08 -0.62 -1.06 0.00 0.00 176.35 177.18 1ss6 s ASP 26 N -0.78 4.56 0.00 1.48 2.15 0.16 -1.25 116.67 122.99 1ss6 s ASP 26 Ca 0.12 -0.77 0.00 0.00 0.43 0.00 0.00 52.55 52.32 1ss6 s ASP 26 Cb -0.11 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 1ss6 s ASP 26 CO 0.01 -3.40 0.00 -0.46 -0.17 0.00 0.00 175.17 171.15 1ss6 n ASN 27 N 16.05 0.00 0.00 -0.34 0.23 -1.26 -4.79 115.26 125.15 1ss6 n ASN 27 Ca 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.48 1ss6 n ASN 27 Cb 0.46 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 1ss6 n ASN 27 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ss6 n GLY 28 N 0.00 4.31 0.00 4.83 0.00 -0.38 -5.19 105.19 108.75 1ss6 n GLY 28 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1ss6 n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ss6 n GLU 29 N 0.00 2.81 -2.73 1.61 1.02 -1.26 -4.31 120.64 117.79 1ss6 n GLU 29 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1ss6 n GLU 29 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1ss6 n GLU 29 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ss6 s LEU 30 N 0.00 4.35 -0.08 -4.62 0.20 -1.26 -3.95 118.68 113.31 1ss6 s LEU 30 Ca 0.00 1.61 0.02 0.00 0.69 0.00 0.00 54.13 56.45 1ss6 s LEU 30 Cb 0.00 -3.53 0.01 0.00 -0.43 0.00 0.00 46.19 42.24 1ss6 s LEU 30 CO 0.00 -0.28 -0.16 -0.13 -0.29 0.00 0.00 176.35 175.50 1ss6 s ARG 31 N 1.14 2.14 0.61 1.98 0.52 0.11 -4.89 118.95 120.57 1ss6 s ARG 31 Ca 0.50 -0.56 -0.15 0.00 -0.52 0.00 0.00 55.73 55.01 1ss6 s ARG 31 Cb -0.20 -1.74 -0.03 0.00 0.52 0.00 0.00 34.95 33.50 1ss6 s ARG 31 CO 0.26 0.04 1.06 -1.12 0.02 0.00 0.00 175.30 175.56 1ss6 s SER 32 N 0.68 5.65 0.00 0.23 0.01 -1.26 -0.25 113.70 118.76 1ss6 s SER 32 Ca -0.13 1.82 -0.01 0.00 1.31 0.00 0.00 55.95 58.94 1ss6 s SER 32 Cb -0.16 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 1ss6 s SER 32 CO 0.04 -1.26 1.96 -1.22 0.41 0.00 0.00 173.24 173.17 1ss6 n TYR 33 N -2.19 0.00 0.00 2.43 4.01 -0.27 -3.16 117.16 117.97 1ss6 n TYR 33 Ca 0.09 -0.93 0.00 0.00 -0.16 0.00 0.00 57.90 56.89 1ss6 n TYR 33 Cb 0.53 -0.61 0.00 0.00 -0.31 0.00 0.00 39.34 38.95 1ss6 n TYR 33 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1ss6 n GLN 34 N 1.71 0.00 -1.69 -0.72 6.02 -1.26 -5.04 117.38 116.40 1ss6 n GLN 34 Ca 0.05 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.60 1ss6 n GLN 34 Cb 0.49 -0.45 -0.04 0.00 1.02 0.00 0.00 30.24 31.27 1ss6 n GLN 34 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1ss6 n ASP 35 N -1.34 3.38 0.31 1.08 -0.08 -1.19 -4.87 116.55 113.85 1ss6 n ASP 35 Ca 0.00 1.09 0.20 0.00 -1.51 0.00 0.00 54.79 54.56 1ss6 n ASP 35 Cb 0.00 -1.48 1.06 0.00 2.34 0.00 0.00 41.12 43.03 1ss6 n ASP 35 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1ss6 h PRO 36 N 5.94 0.00 0.01 -0.67 0.11 -1.98 -0.45 132.00 134.95 1ss6 h PRO 36 Ca -0.44 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.43 1ss6 h PRO 36 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1ss6 h PRO 36 CO 0.89 0.00 -1.23 0.77 -0.21 0.00 0.00 178.00 178.23 1ss6 h SER 37 N 0.00 0.02 1.14 -2.05 0.02 -1.97 -3.19 113.55 107.52 1ss6 h SER 37 Ca 0.01 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1ss6 h SER 37 Cb 0.16 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1ss6 h SER 37 CO -0.00 1.02 -0.33 0.78 -1.14 0.00 0.00 176.83 177.16 1ss6 h ASN 38 N 0.00 0.00 -0.10 3.07 2.35 -1.42 -2.73 115.58 116.76 1ss6 h ASN 38 Ca -0.10 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.68 1ss6 h ASN 38 Cb 1.85 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.22 1ss6 h ASN 38 CO 0.12 0.33 0.08 0.00 -1.65 0.00 0.00 177.43 176.31 1ss6 h ALA 39 N 1.67 2.00 -0.39 -0.83 0.00 -1.36 -1.46 119.26 118.89 1ss6 h ALA 39 Ca -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ss6 h ALA 39 Cb 0.99 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1ss6 h ALA 39 CO 0.04 -0.13 0.24 0.37 0.00 0.00 0.00 179.25 179.78 1ss6 h GLN 40 N 0.00 0.47 0.22 0.00 -0.00 -1.60 0.75 115.11 114.96 1ss6 h GLN 40 Ca 0.05 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.66 1ss6 h GLN 40 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 27.57 1ss6 h GLN 40 CO -0.00 0.31 -0.11 0.74 0.00 0.00 0.00 178.83 179.78 1ss6 h PHE 41 N 0.49 -0.28 -0.86 3.99 0.04 -1.45 -2.11 116.94 116.76 1ss6 h PHE 41 Ca 0.15 -0.01 0.20 0.00 2.80 0.00 0.00 57.97 61.11 1ss6 h PHE 41 Cb -0.01 0.09 -0.12 0.00 2.20 0.00 0.00 35.95 38.11 1ss6 h PHE 41 CO -0.06 0.05 0.35 -0.07 -0.60 0.00 0.00 178.31 177.97 1ss6 h LEU 42 N -0.62 0.28 0.02 1.54 3.38 -1.19 0.42 115.31 119.13 1ss6 h LEU 42 Ca -0.03 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ss6 h LEU 42 Cb 0.45 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1ss6 h LEU 42 CO 0.05 0.02 -0.01 -0.33 0.09 0.00 0.00 178.44 178.26 1ss6 h GLU 43 N 0.40 -0.02 -0.88 1.13 4.39 -0.75 -0.59 114.58 118.26 1ss6 h GLU 43 Ca 0.52 0.00 0.08 0.00 0.34 0.00 0.00 59.36 60.30 1ss6 h GLU 43 Cb 0.94 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.53 1ss6 h GLU 43 CO -0.51 -0.01 0.57 0.77 -1.16 0.00 0.00 179.01 178.67 1ss6 h SER 44 N -0.02 0.82 0.27 1.42 0.02 -0.89 -0.53 113.55 114.64 1ss6 h SER 44 Ca -0.00 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.83 1ss6 h SER 44 Cb 0.02 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1ss6 h SER 44 CO 0.00 0.50 -0.53 0.40 -1.14 0.00 0.00 176.83 176.06 1ss6 h ILE 45 N 0.92 1.35 0.00 3.27 2.04 -0.22 0.46 117.51 125.34 1ss6 h ILE 45 Ca 0.40 -1.81 -0.14 0.00 1.00 0.00 0.00 64.86 64.31 1ss6 h ILE 45 Cb 0.33 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1ss6 h ILE 45 CO -0.16 0.54 -0.65 0.08 0.00 0.00 0.00 178.15 177.96 1ss6 h ARG 46 N 0.22 0.00 0.00 2.37 0.11 0.05 -2.90 114.38 114.23 1ss6 h ARG 46 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ss6 h ARG 46 Cb 1.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.09 1ss6 h ARG 46 CO 0.09 0.65 0.00 0.00 0.10 0.00 0.00 179.97 180.80 1ss6 h ARG 47 N 0.00 0.00 0.00 0.08 2.47 -0.70 -3.47 114.38 112.76 1ss6 h ARG 47 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1ss6 h ARG 47 Cb 1.33 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.65 1ss6 h ARG 47 CO 0.08 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.02 1ss6 n GLY 48 N 0.90 0.83 4.00 0.04 0.00 -0.35 -5.08 105.19 105.53 1ss6 n GLY 48 Ca 0.03 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 1ss6 n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ss6 s GLU 49 N -0.66 2.67 -0.36 1.61 2.02 0.15 -4.99 118.70 119.14 1ss6 s GLU 49 Ca 0.00 -1.10 -0.14 0.00 0.02 0.00 0.00 54.97 53.75 1ss6 s GLU 49 Cb 0.00 -2.65 -0.00 0.00 0.10 0.00 0.00 34.13 31.58 1ss6 s GLU 49 CO 0.00 -0.49 0.28 0.08 0.02 0.00 0.00 175.26 175.15 1ss6 s VAL 50 N -2.53 5.26 0.42 2.63 1.01 -1.26 -4.03 120.40 121.89 1ss6 s VAL 50 Ca 0.56 -0.31 -0.25 0.00 0.00 0.00 0.00 61.98 61.98 1ss6 s VAL 50 Cb -0.10 -3.80 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 1ss6 s VAL 50 CO 0.35 -0.12 1.18 -2.65 0.00 0.00 0.00 175.10 173.87 1ss6 n PRO 51 N 5.17 1.72 0.31 2.72 -0.02 -1.26 -4.84 135.00 138.81 1ss6 n PRO 51 Ca -0.12 0.61 0.19 0.00 -2.02 0.00 0.00 63.50 62.16 1ss6 n PRO 51 Cb 0.49 -2.26 1.03 0.00 -0.02 0.00 0.00 33.50 32.74 1ss6 n PRO 51 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ss6 h ALA 52 N 1.91 1.24 -0.59 3.55 0.00 -1.97 -1.22 119.26 122.18 1ss6 h ALA 52 Ca -0.46 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.50 1ss6 h ALA 52 Cb 1.31 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1ss6 h ALA 52 CO 0.59 0.01 0.28 1.49 0.00 0.00 0.00 179.25 181.63 1ss6 h GLU 53 N 0.00 0.51 0.00 0.00 4.57 -1.95 0.21 114.58 117.92 1ss6 h GLU 53 Ca -0.00 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 57.98 1ss6 h GLU 53 Cb 0.06 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 1ss6 h GLU 53 CO 0.00 0.34 -0.88 -0.07 -1.18 0.00 0.00 179.01 177.22 1ss6 h LEU 54 N 0.53 0.00 -1.19 1.64 3.38 -1.60 -3.01 115.31 115.05 1ss6 h LEU 54 Ca 0.28 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 1ss6 h LEU 54 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1ss6 h LEU 54 CO -0.22 0.74 -0.26 -0.09 0.09 0.00 0.00 178.44 178.71 1ss6 h ARG 55 N 0.00 0.24 -1.49 1.13 9.65 -0.96 -0.20 114.38 122.76 1ss6 h ARG 55 Ca -0.04 -0.08 -0.17 0.00 -1.10 0.00 0.00 59.98 58.59 1ss6 h ARG 55 Cb 1.61 -0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 30.08 1ss6 h ARG 55 CO 0.09 0.49 0.22 0.54 2.80 0.00 0.00 179.97 184.11 1ss6 n ARG 56 N -4.16 1.42 0.19 0.20 5.12 0.68 -3.89 116.66 116.22 1ss6 n ARG 56 Ca -0.01 -0.87 0.00 0.00 -1.93 0.00 0.00 57.85 55.04 1ss6 n ARG 56 Cb 0.36 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.32 1ss6 n ARG 56 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1ss6 n LEU 57 N 0.58 -1.80 -4.83 0.55 0.00 -0.85 -5.02 117.00 105.64 1ss6 n LEU 57 Ca 0.17 0.67 -0.37 0.00 0.00 0.00 0.00 56.01 56.48 1ss6 n LEU 57 Cb 0.64 1.81 -0.06 0.00 0.00 0.00 0.00 43.42 45.81 1ss6 n LEU 57 CO 0.20 -0.37 0.25 0.00 0.00 0.00 0.00 177.39 177.47 1ss6 s ALA 58 N -2.00 3.59 -0.08 1.96 0.00 -0.14 -5.06 121.76 120.02 1ss6 s ALA 58 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.86 1ss6 s ALA 58 Cb 0.00 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 1ss6 s ALA 58 CO 0.00 0.43 0.15 -1.01 0.00 0.00 0.00 175.76 175.33 1ss6 s HIS 59 N -1.27 3.57 0.00 0.00 3.76 -1.26 -4.45 115.29 115.64 1ss6 s HIS 59 Ca 0.33 0.46 0.00 0.00 -0.15 0.00 0.00 55.06 55.70 1ss6 s HIS 59 Cb -0.17 -1.90 0.00 0.00 1.11 0.00 0.00 32.58 31.62 1ss6 s HIS 59 CO 0.19 0.70 0.00 0.41 -0.85 0.00 0.00 174.74 175.19 1ss6 n GLY 60 N 1.62 1.03 0.00 -2.22 0.00 -1.26 -0.71 105.19 103.65 1ss6 n GLY 60 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1ss6 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ss6 n GLY 61 N -2.00 1.35 1.99 -0.02 0.00 -1.26 -4.97 105.19 100.27 1ss6 n GLY 61 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1ss6 n GLY 61 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ss6 n GLN 62 N -0.54 0.47 -3.67 1.61 7.27 0.11 -4.66 117.38 117.97 1ss6 n GLN 62 Ca 0.00 -0.11 -0.08 0.00 0.07 0.00 0.00 57.00 56.87 1ss6 n GLN 62 Cb 0.00 -1.44 -0.09 0.00 2.41 0.00 0.00 30.24 31.12 1ss6 n GLN 62 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1ss6 s VAL 63 N 1.62 -0.42 0.14 1.69 0.11 -1.26 0.05 120.40 122.34 1ss6 s VAL 63 Ca 0.08 0.12 0.03 0.00 -2.93 0.00 0.00 61.98 59.27 1ss6 s VAL 63 Cb 0.04 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 1ss6 s VAL 63 CO 0.00 0.05 -0.06 0.21 -3.33 0.00 0.00 175.10 171.97 1ss6 s ASN 64 N 2.15 1.40 0.15 3.54 3.84 0.10 -4.84 114.94 121.28 1ss6 s ASN 64 Ca -0.05 -1.05 0.04 0.00 0.21 0.00 0.00 52.86 52.00 1ss6 s ASN 64 Cb -0.10 0.06 -0.04 0.00 -0.55 0.00 0.00 41.25 40.62 1ss6 s ASN 64 CO -0.14 -0.45 0.19 -1.48 -2.79 0.00 0.00 177.10 172.43 1ss6 s LEU 65 N -3.12 4.01 0.29 3.21 2.34 -1.26 0.17 118.68 124.31 1ss6 s LEU 65 Ca 0.17 -0.01 0.09 0.00 0.06 0.00 0.00 54.13 54.44 1ss6 s LEU 65 Cb 0.05 -2.61 -0.06 0.00 -0.56 0.00 0.00 46.19 43.01 1ss6 s LEU 65 CO -0.01 0.07 -0.12 -0.62 -1.06 0.00 0.00 176.35 174.61 1ss6 s ASP 66 N -3.10 3.29 -0.07 1.48 -1.08 0.41 -4.77 116.67 112.83 1ss6 s ASP 66 Ca 0.32 -1.13 0.03 0.00 -0.52 0.00 0.00 52.55 51.25 1ss6 s ASP 66 Cb -0.11 -0.26 0.01 0.00 -1.46 0.00 0.00 42.92 41.10 1ss6 s ASP 66 CO 0.25 -0.17 -0.16 -0.04 0.52 0.00 0.00 175.17 175.57 1ss6 s MET 67 N -3.62 2.04 -0.00 4.34 -1.94 -1.26 -0.11 119.30 118.75 1ss6 s MET 67 Ca 0.30 -0.57 0.01 0.00 -1.71 0.00 0.00 55.69 53.71 1ss6 s MET 67 Cb 0.00 -1.65 -0.00 0.00 2.01 0.00 0.00 34.83 35.19 1ss6 s MET 67 CO 0.14 0.12 -0.02 -2.00 -0.01 0.00 0.00 175.02 173.25 1ss6 s GLU 68 N 0.43 0.18 -0.23 2.03 2.12 0.47 -4.92 118.70 118.78 1ss6 s GLU 68 Ca -0.13 -0.07 -0.09 0.00 0.36 0.00 0.00 54.97 55.05 1ss6 s GLU 68 Cb -0.15 -0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.01 1ss6 s GLU 68 CO 0.05 0.04 0.11 0.34 -0.54 0.00 0.00 175.26 175.25 1ss6 s ASP 69 N 0.01 5.70 -0.16 -1.70 2.15 -1.26 0.67 116.67 122.07 1ss6 s ASP 69 Ca 0.00 0.01 0.18 0.00 0.43 0.00 0.00 52.55 53.17 1ss6 s ASP 69 Cb -0.02 -2.01 0.38 0.00 -0.30 0.00 0.00 42.92 40.97 1ss6 s ASP 69 CO -0.00 0.07 1.20 1.41 -0.17 0.00 0.00 175.17 177.68 1ss6 n HIS 70 N 4.27 -0.00 0.05 -5.34 8.25 0.55 -4.90 115.22 118.09 1ss6 n HIS 70 Ca -0.16 -1.33 0.04 0.00 -0.26 0.00 0.00 57.72 56.01 1ss6 n HIS 70 Cb 0.52 0.30 0.43 0.00 1.12 0.00 0.00 29.99 32.36 1ss6 n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ss6 h ARG 71 N 1.40 0.43 -0.00 -0.41 3.08 -1.38 0.28 114.38 117.78 1ss6 h ARG 71 Ca -0.30 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1ss6 h ARG 71 Cb 1.47 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1ss6 h ARG 71 CO 0.00 0.33 -0.05 -3.47 -1.07 0.00 0.00 179.97 175.72 1ss6 n ASP 72 N -4.44 0.10 -0.12 7.04 2.03 -1.26 -3.38 116.55 116.52 1ss6 n ASP 72 Ca 0.02 0.01 -0.23 0.00 0.52 0.00 0.00 54.79 55.10 1ss6 n ASP 72 Cb 0.11 -0.30 -0.09 0.00 -0.72 0.00 0.00 41.12 40.12 1ss6 n ASP 72 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ss6 n GLU 73 N -1.33 0.50 -0.67 -0.67 -0.58 0.04 -5.09 120.64 112.85 1ss6 n GLU 73 Ca 0.11 0.20 0.09 0.00 -0.42 0.00 0.00 57.16 57.15 1ss6 n GLU 73 Cb 0.29 -1.35 -0.02 0.00 -0.57 0.00 0.00 31.44 29.78 1ss6 n GLU 73 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1ss6 n ASP 74 N -3.88 -3.98 -4.71 1.62 2.03 0.76 -4.94 116.55 103.46 1ss6 n ASP 74 Ca -0.45 0.28 -0.43 0.00 0.52 0.00 0.00 54.79 54.71 1ss6 n ASP 74 Cb 0.84 -2.03 -0.02 0.00 -0.72 0.00 0.00 41.12 39.20 1ss6 n ASP 74 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1ss6 n PHE 75 N -2.55 2.45 -0.39 -0.67 7.35 -1.26 -4.83 117.46 117.56 1ss6 n PHE 75 Ca 0.00 0.42 0.00 0.00 -0.76 0.00 0.00 57.45 57.11 1ss6 n PHE 75 Cb 0.31 -2.49 0.00 0.00 0.35 0.00 0.00 39.48 37.65 1ss6 n PHE 75 CO 0.00 0.00 0.00 1.55 -0.76 0.00 0.00 176.76 177.55 1ss6 n VAL 76 N 1.41 0.00 0.00 -2.13 3.14 -1.26 -5.08 118.33 114.41 1ss6 n VAL 76 Ca 0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 1ss6 n VAL 76 Cb 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.13 1ss6 n VAL 76 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1ss6 n LYS 77 N 0.00 0.00 -0.51 1.45 5.02 -1.26 -4.10 118.16 118.75 1ss6 n LYS 77 Ca 0.00 0.41 -0.05 0.00 -2.02 0.00 0.00 58.31 56.64 1ss6 n LYS 77 Cb 0.00 -0.91 -0.07 0.00 -0.02 0.00 0.00 35.03 34.03 1ss6 n LYS 77 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1ss6 n PRO 78 N -2.09 1.02 -0.00 1.97 -0.02 -1.26 -3.63 135.00 130.99 1ss6 n PRO 78 Ca 0.00 -0.44 0.02 0.00 -2.02 0.00 0.00 63.50 61.07 1ss6 n PRO 78 Cb 0.00 -1.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1ss6 n PRO 78 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ss6 n LYS 79 N 2.45 2.66 0.00 -0.52 5.02 -1.26 -4.93 118.16 121.58 1ss6 n LYS 79 Ca 0.19 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1ss6 n LYS 79 Cb 0.48 -0.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 1ss6 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ss6 n GLY 80 N 1.71 3.28 3.73 0.72 0.00 -1.24 -5.07 105.19 108.31 1ss6 n GLY 80 Ca -0.00 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 1ss6 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ss6 s ALA 81 N 0.00 2.26 -0.80 4.61 0.00 -1.26 -4.97 121.76 121.61 1ss6 s ALA 81 Ca 0.00 1.00 0.02 0.00 0.00 0.00 0.00 51.96 52.98 1ss6 s ALA 81 Cb 0.00 -3.49 0.24 0.00 0.00 0.00 0.00 23.12 19.87 1ss6 s ALA 81 CO 0.00 -1.68 0.87 0.34 0.00 0.00 0.00 175.76 175.29 1ss6 n PHE 82 N -2.29 3.48 -0.01 0.00 7.35 -1.26 -4.51 117.46 120.21 1ss6 n PHE 82 Ca 0.14 -3.87 0.00 0.00 -0.76 0.00 0.00 57.45 52.96 1ss6 n PHE 82 Cb 0.49 -0.84 0.00 0.00 0.35 0.00 0.00 39.48 39.48 1ss6 n PHE 82 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1ss6 n LYS 83 N 1.43 4.66 -1.93 -4.13 2.85 -1.26 -4.97 118.16 114.81 1ss6 n LYS 83 Ca 0.26 -0.13 -0.43 0.00 -1.05 0.00 0.00 58.31 56.96 1ss6 n LYS 83 Cb 0.38 -0.62 -0.03 0.00 -0.65 0.00 0.00 35.03 34.11 1ss6 n LYS 83 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ss6 s ALA 84 N -0.70 3.28 0.97 0.58 0.00 -1.26 -4.99 121.76 119.63 1ss6 s ALA 84 Ca 0.00 0.74 -0.15 0.00 0.00 0.00 0.00 51.96 52.56 1ss6 s ALA 84 Cb 0.00 -3.87 0.18 0.00 0.00 0.00 0.00 23.12 19.42 1ss6 s ALA 84 CO 0.00 -1.95 1.21 -0.06 0.00 0.00 0.00 175.76 174.96 1ss6 s PHE 85 N 5.43 1.87 -0.30 0.00 0.08 -1.26 -5.07 117.98 118.74 1ss6 s PHE 85 Ca 0.80 0.57 0.01 0.00 0.12 0.00 0.00 56.93 58.42 1ss6 s PHE 85 Cb -0.31 -3.70 0.19 0.00 -0.57 0.00 0.00 43.02 38.64 1ss6 s PHE 85 CO 0.33 -2.65 0.64 -0.08 -0.10 0.00 0.00 175.22 173.35 1ss6 s THR 86 N -3.51 -0.94 0.00 0.64 -1.32 -1.26 -5.03 115.64 104.22 1ss6 s THR 86 Ca 0.69 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.17 1ss6 s THR 86 Cb -0.09 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 1ss6 s THR 86 CO 0.53 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.55 1ss6 n GLY 87 N 5.42 1.85 3.07 6.08 0.00 -1.26 -4.64 105.19 115.71 1ss6 n GLY 87 Ca 0.01 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1ss6 n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ss6 n GLU 88 N 0.00 2.48 -0.31 1.61 -0.58 -1.26 -4.41 120.64 118.16 1ss6 n GLU 88 Ca 0.00 -2.54 0.00 0.00 -0.42 0.00 0.00 57.16 54.20 1ss6 n GLU 88 Cb 0.00 -3.28 0.00 0.00 -0.57 0.00 0.00 31.44 27.59 1ss6 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ss6 n GLY 89 N 4.62 -0.37 0.11 0.62 0.00 -1.26 -5.03 105.19 103.88 1ss6 n GLY 89 Ca 0.50 -0.78 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 1ss6 n GLY 89 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ss6 n GLN 90 N 1.24 0.69 -3.15 1.61 1.13 -1.26 -4.32 117.38 113.32 1ss6 n GLN 90 Ca 0.00 0.23 0.05 0.00 -1.94 0.00 0.00 57.00 55.33 1ss6 n GLN 90 Cb 0.00 -1.69 -0.01 0.00 0.11 0.00 0.00 30.24 28.65 1ss6 n GLN 90 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1ss6 s LYS 91 N -2.56 0.32 -0.02 -1.09 2.20 -1.26 -4.78 119.74 112.55 1ss6 s LYS 91 Ca -0.16 0.41 0.05 0.00 -0.36 0.00 0.00 55.97 55.91 1ss6 s LYS 91 Cb 0.07 0.21 -0.08 0.00 -1.51 0.00 0.00 37.83 36.52 1ss6 s LYS 91 CO 0.78 -0.51 0.09 -0.11 -0.36 0.00 0.00 175.35 175.23 1ss6 n LEU 92 N 5.32 0.00 0.00 5.43 7.94 -1.26 -5.06 117.00 129.37 1ss6 n LEU 92 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1ss6 n LEU 92 Cb 0.55 0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.54 1ss6 n LEU 92 CO -0.10 0.04 0.00 0.61 -1.11 0.00 0.00 177.39 176.84 1ss6 n GLY 93 N 2.36 2.04 2.19 -3.96 0.00 -1.26 -5.04 105.19 101.53 1ss6 n GLY 93 Ca -0.04 0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1ss6 n GLY 93 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ss6 n SER 94 N 0.00 5.98 0.07 1.61 2.88 -1.26 -4.54 113.62 118.36 1ss6 n SER 94 Ca 0.00 -3.74 0.02 0.00 -1.33 0.00 0.00 58.87 53.83 1ss6 n SER 94 Cb 0.00 -0.86 0.38 0.00 -0.75 0.00 0.00 64.21 62.98 1ss6 n SER 94 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1ss6 h THR 95 N 1.10 1.16 -3.37 2.46 1.35 -2.04 -3.32 112.91 110.26 1ss6 h THR 95 Ca 0.57 -0.64 -0.63 0.00 -0.55 0.00 0.00 66.41 65.17 1ss6 h THR 95 Cb 1.52 0.99 -0.40 0.00 -1.73 0.00 0.00 68.15 68.53 1ss6 h THR 95 CO 1.30 0.21 -0.71 0.00 -0.25 0.00 0.00 175.52 176.08 1ss6 s ALA 96 N -4.95 2.52 0.10 6.62 0.00 -1.26 -5.02 121.76 119.76 1ss6 s ALA 96 Ca -0.07 -2.50 -0.31 0.00 0.00 0.00 0.00 51.96 49.09 1ss6 s ALA 96 Cb 0.16 -1.91 -0.13 0.00 0.00 0.00 0.00 23.12 21.24 1ss6 s ALA 96 CO 0.74 -1.82 1.61 -1.35 0.00 0.00 0.00 175.76 174.94 1ss6 h PRO 97 N 7.33 -0.69 0.00 0.00 0.11 -1.86 -3.48 132.00 133.41 1ss6 h PRO 97 Ca -0.07 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1ss6 h PRO 97 Cb 0.97 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ss6 h PRO 97 CO 0.54 -0.46 0.00 0.94 -0.21 0.00 0.00 178.00 178.81 1ss6 n GLN 98 N -5.46 0.00 0.00 1.05 -0.06 -1.26 -4.96 117.38 106.70 1ss6 n GLN 98 Ca -0.10 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.90 1ss6 n GLN 98 Cb 0.36 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.54 1ss6 n GLN 98 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 1ss6 n VAL 99 N 0.00 0.00 0.00 1.69 3.14 -1.26 -4.89 118.33 117.00 1ss6 n VAL 99 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1ss6 n VAL 99 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1ss6 n VAL 99 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1ss6 n LEU 100 N -0.41 0.00 -3.31 6.55 7.94 -1.26 -3.23 117.00 123.28 1ss6 n LEU 100 Ca 0.00 0.75 -0.38 0.00 -1.11 0.00 0.00 56.01 55.27 1ss6 n LEU 100 Cb 0.00 -0.25 -0.00 0.00 0.53 0.00 0.00 43.42 43.70 1ss6 n LEU 100 CO 0.00 -0.25 1.92 -1.20 -1.11 0.00 0.00 177.39 176.74 1ss6 n SER 101 N -1.45 7.55 0.00 1.96 7.64 -1.26 -5.20 113.62 122.87 1ss6 n SER 101 Ca 0.00 -3.37 0.00 0.00 1.01 0.00 0.00 58.87 56.51 1ss6 n SER 101 Cb 0.00 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 61.94 1ss6 n SER 101 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44