#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 6.99 0.00 1.61 0.01 -1.26 -4.89 113.70 116.16 1ss6 s SER 2 Ca 0.00 1.87 0.25 0.00 1.31 0.00 0.00 55.95 59.38 1ss6 s SER 2 Cb 0.00 -2.56 0.37 0.00 0.21 0.00 0.00 66.02 64.05 1ss6 s SER 2 CO 0.00 -0.63 1.33 -0.62 0.41 0.00 0.00 173.24 173.73 1ss6 n GLU 3 N 5.40 1.30 -1.72 12.44 1.02 -1.26 -4.48 120.64 133.34 1ss6 n GLU 3 Ca 0.12 -0.97 -0.41 0.00 -0.02 0.00 0.00 57.16 55.88 1ss6 n GLU 3 Cb 0.45 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.38 1ss6 n GLU 3 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ss6 n LYS 4 N -0.01 3.55 -4.24 3.49 4.76 -1.26 -4.92 118.16 119.54 1ss6 n LYS 4 Ca 0.12 -2.74 -0.25 0.00 -2.87 0.00 0.00 58.31 52.57 1ss6 n LYS 4 Cb 0.44 -2.96 -0.08 0.00 -1.84 0.00 0.00 35.03 30.59 1ss6 n LYS 4 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1ss6 s ARG 5 N 1.70 2.17 -0.04 1.97 1.81 -1.26 -5.10 118.95 120.21 1ss6 s ARG 5 Ca 0.55 -1.83 -0.30 0.00 -1.72 0.00 0.00 55.73 52.43 1ss6 s ARG 5 Cb 0.15 -1.94 -0.03 0.00 -0.45 0.00 0.00 34.95 32.68 1ss6 s ARG 5 CO -0.06 -0.03 1.03 -1.14 -0.68 0.00 0.00 175.30 174.42 1ss6 s GLN 6 N -3.83 4.48 0.00 3.54 2.00 -1.26 -4.91 119.66 119.67 1ss6 s GLN 6 Ca 0.38 1.47 0.08 0.00 -2.00 0.00 0.00 55.36 55.30 1ss6 s GLN 6 Cb 0.03 -3.49 0.25 0.00 0.80 0.00 0.00 33.01 30.61 1ss6 s GLN 6 CO 0.21 -0.20 1.21 0.72 -0.50 0.00 0.00 175.29 176.73 1ss6 n HIS 7 N 4.42 0.34 -3.43 1.67 8.25 -1.26 -4.87 115.22 120.34 1ss6 n HIS 7 Ca 0.08 -0.17 -0.17 0.00 -0.26 0.00 0.00 57.72 57.19 1ss6 n HIS 7 Cb 0.49 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.69 1ss6 n HIS 7 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ss6 n SER 8 N 0.26 -2.46 -2.45 0.41 7.64 -1.26 -4.04 113.62 111.72 1ss6 n SER 8 Ca 0.09 -0.60 -0.23 0.00 1.01 0.00 0.00 58.87 59.14 1ss6 n SER 8 Cb 0.22 -5.07 -0.10 0.00 -1.01 0.00 0.00 64.21 58.26 1ss6 n SER 8 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ss6 n SER 9 N -3.09 6.32 -2.25 6.43 7.64 -1.26 -3.73 113.62 123.67 1ss6 n SER 9 Ca -0.26 -2.81 -0.26 0.00 1.01 0.00 0.00 58.87 56.55 1ss6 n SER 9 Cb 0.66 -1.36 0.02 0.00 -1.01 0.00 0.00 64.21 62.51 1ss6 n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ss6 n GLN 10 N 1.97 3.47 -0.76 1.43 6.02 -1.26 -5.04 117.38 123.21 1ss6 n GLN 10 Ca 0.51 -4.24 0.10 0.00 -0.01 0.00 0.00 57.00 53.37 1ss6 n GLN 10 Cb 0.65 -2.27 -0.03 0.00 1.02 0.00 0.00 30.24 29.62 1ss6 n GLN 10 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1ss6 n ASP 11 N -0.62 -5.49 -3.49 1.08 5.68 -1.26 -4.94 116.55 107.50 1ss6 n ASP 11 Ca 0.43 0.81 0.01 0.00 -0.50 0.00 0.00 54.79 55.54 1ss6 n ASP 11 Cb 0.80 -2.40 -0.03 0.00 -1.14 0.00 0.00 41.12 38.35 1ss6 n ASP 11 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ss6 s VAL 12 N -1.39 -0.96 -0.23 2.12 0.11 0.33 -4.59 120.40 115.80 1ss6 s VAL 12 Ca 0.00 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.99 1ss6 s VAL 12 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1ss6 s VAL 12 CO 0.00 0.00 0.04 -1.00 -3.33 0.00 0.00 175.10 170.81 1ss6 s HIS 13 N 2.86 3.07 -0.30 1.54 3.76 -1.26 -0.98 115.29 123.99 1ss6 s HIS 13 Ca 0.02 -0.44 -0.10 0.00 -0.15 0.00 0.00 55.06 54.39 1ss6 s HIS 13 Cb -0.12 -2.18 -0.02 0.00 1.11 0.00 0.00 32.58 31.38 1ss6 s HIS 13 CO -0.19 -0.31 0.15 0.08 -0.85 0.00 0.00 174.74 173.62 1ss6 s VAL 14 N 1.35 4.69 -0.45 -0.90 1.01 0.93 -4.89 120.40 122.14 1ss6 s VAL 14 Ca 0.05 -0.31 -0.28 0.00 0.00 0.00 0.00 61.98 61.44 1ss6 s VAL 14 Cb -0.15 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.91 1ss6 s VAL 14 CO 0.02 0.12 1.06 0.54 0.00 0.00 0.00 175.10 176.84 1ss6 s VAL 15 N 1.64 4.33 -0.17 2.92 0.11 -1.26 -0.42 120.40 127.55 1ss6 s VAL 15 Ca 0.05 1.13 0.01 0.00 -2.93 0.00 0.00 61.98 60.24 1ss6 s VAL 15 Cb -0.17 -4.52 0.01 0.00 -1.53 0.00 0.00 36.38 30.17 1ss6 s VAL 15 CO 0.07 -0.88 -0.17 -0.22 -3.33 0.00 0.00 175.10 170.56 1ss6 s LEU 16 N 4.12 2.29 -0.05 2.54 0.20 -0.02 -2.56 118.68 125.19 1ss6 s LEU 16 Ca 0.44 -0.57 0.01 0.00 0.69 0.00 0.00 54.13 54.70 1ss6 s LEU 16 Cb -0.09 -1.52 -0.03 0.00 -0.43 0.00 0.00 46.19 44.12 1ss6 s LEU 16 CO 0.28 0.03 -0.06 -0.54 -0.29 0.00 0.00 176.35 175.77 1ss6 s LYS 17 N 1.13 2.73 -0.37 1.98 1.02 -0.03 -0.19 119.74 126.01 1ss6 s LYS 17 Ca 0.01 -0.57 -0.14 0.00 0.02 0.00 0.00 55.97 55.29 1ss6 s LYS 17 Cb -0.14 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.57 1ss6 s LYS 17 CO -0.07 0.66 0.27 -1.17 -0.92 0.00 0.00 175.35 174.11 1ss6 s LEU 18 N -0.95 4.80 0.00 3.17 2.96 0.83 -1.87 118.68 127.62 1ss6 s LEU 18 Ca 0.14 -0.65 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 1ss6 s LEU 18 Cb -0.11 -2.15 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1ss6 s LEU 18 CO 0.03 -0.34 0.00 0.79 -1.32 0.00 0.00 176.35 175.51 1ss6 n TRP 19 N 5.13 -2.48 0.03 5.38 7.02 0.55 0.31 117.44 133.38 1ss6 n TRP 19 Ca -0.12 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.31 1ss6 n TRP 19 Cb 0.48 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.27 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 0.00 0.03 -0.99 5.09 -1.76 -3.40 116.57 115.55 1ss6 h LYS 20 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 60.65 60.35 1ss6 h LYS 20 Cb 0.00 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 32.28 1ss6 h LYS 20 CO 0.00 0.63 -2.29 -1.13 -2.09 0.00 0.00 179.45 174.57 1ss6 n SER 21 N -3.14 2.01 0.00 7.07 3.41 -1.26 -4.97 113.62 116.73 1ss6 n SER 21 Ca -0.08 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1ss6 n SER 21 Cb 0.94 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 1ss6 n SER 21 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ss6 n GLY 22 N 1.98 3.30 3.01 5.00 0.00 -1.26 -0.35 105.19 116.87 1ss6 n GLY 22 Ca -0.43 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.92 0.46 0.02 1.61 -0.71 0.29 -0.33 117.98 118.40 1ss6 s PHE 23 Ca 0.00 -0.44 0.08 0.00 -1.04 0.00 0.00 56.93 55.53 1ss6 s PHE 23 Cb 0.00 -0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 41.50 1ss6 s PHE 23 CO 0.00 -0.11 -0.24 -1.54 -1.34 0.00 0.00 175.22 171.99 1ss6 s SER 24 N -1.29 2.86 0.15 1.98 1.04 -0.78 -0.03 113.70 117.62 1ss6 s SER 24 Ca -0.10 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1ss6 s SER 24 Cb -0.09 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.76 1ss6 s SER 24 CO -0.00 0.24 0.01 0.18 0.98 0.00 0.00 173.24 174.65 1ss6 n LEU 25 N 2.04 0.00 0.01 2.42 4.32 -1.24 -0.85 117.00 123.70 1ss6 n LEU 25 Ca -0.17 -0.94 -0.18 0.00 -0.02 0.00 0.00 56.01 54.70 1ss6 n LEU 25 Cb 0.52 0.10 -0.11 0.00 -1.62 0.00 0.00 43.42 42.31 1ss6 n LEU 25 CO 0.23 -0.15 0.21 -0.78 -1.22 0.00 0.00 177.39 175.68 1ss6 h ASP 26 N 0.35 0.60 -0.68 -1.43 3.58 -1.81 -3.32 116.42 113.70 1ss6 h ASP 26 Ca -0.12 -0.77 0.03 0.00 0.42 0.00 0.00 57.03 56.59 1ss6 h ASP 26 Cb 0.38 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.21 1ss6 h ASP 26 CO 0.21 1.29 0.45 -0.55 -2.88 0.00 0.00 179.24 177.75 1ss6 h ASN 27 N -0.03 0.71 0.00 2.28 7.08 -1.95 -3.46 115.58 120.21 1ss6 h ASN 27 Ca -0.09 -0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.12 1ss6 h ASN 27 Cb 1.40 -0.16 0.00 0.00 -2.08 0.00 0.00 38.32 37.48 1ss6 h ASN 27 CO 0.14 0.49 0.00 0.61 -2.08 0.00 0.00 177.43 176.58 1ss6 n GLY 28 N -1.44 5.21 0.00 9.14 0.00 -1.25 -5.19 105.19 111.66 1ss6 n GLY 28 Ca 0.08 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 3.57 -1.86 1.61 1.02 -1.26 -3.72 120.64 120.00 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 4.14 -0.15 -4.62 0.20 -1.26 -4.10 118.68 112.90 1ss6 s LEU 30 Ca 0.00 2.20 0.01 0.00 0.69 0.00 0.00 54.13 57.03 1ss6 s LEU 30 Cb 0.00 -3.53 -0.00 0.00 -0.43 0.00 0.00 46.19 42.23 1ss6 s LEU 30 CO 0.00 -1.19 -0.16 -0.13 -0.29 0.00 0.00 176.35 174.58 1ss6 s ARG 31 N 4.66 3.20 0.63 1.98 0.52 0.95 -4.87 118.95 126.02 1ss6 s ARG 31 Ca 0.82 -0.76 -0.17 0.00 -0.52 0.00 0.00 55.73 55.10 1ss6 s ARG 31 Cb -0.35 -2.59 -0.02 0.00 0.52 0.00 0.00 34.95 32.52 1ss6 s ARG 31 CO 0.34 0.04 1.14 -1.12 0.02 0.00 0.00 175.30 175.73 1ss6 s SER 32 N 0.75 5.16 -0.24 0.23 0.01 -1.26 -0.55 113.70 117.81 1ss6 s SER 32 Ca -0.07 2.15 -0.05 0.00 1.31 0.00 0.00 55.95 59.29 1ss6 s SER 32 Cb -0.16 -2.57 -0.19 0.00 0.21 0.00 0.00 66.02 63.31 1ss6 s SER 32 CO 0.01 -1.60 2.96 -1.22 0.41 0.00 0.00 173.24 173.80 1ss6 n TYR 33 N -2.04 0.35 0.00 2.43 4.01 0.53 -3.27 117.16 119.17 1ss6 n TYR 33 Ca 0.12 -1.46 0.00 0.00 -0.16 0.00 0.00 57.90 56.39 1ss6 n TYR 33 Cb 0.51 -1.51 0.00 0.00 -0.31 0.00 0.00 39.34 38.03 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 2.82 0.00 -1.72 -0.72 6.02 -1.26 -5.03 117.38 117.48 1ss6 n GLN 34 Ca 0.40 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.97 1ss6 n GLN 34 Cb 0.65 -0.19 -0.01 0.00 1.02 0.00 0.00 30.24 31.70 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 -1.98 3.20 0.18 1.08 -0.08 -1.20 -4.74 116.55 113.00 1ss6 n ASP 35 Ca 0.00 1.19 0.18 0.00 -1.51 0.00 0.00 54.79 54.66 1ss6 n ASP 35 Cb 0.00 -1.53 0.81 0.00 2.34 0.00 0.00 41.12 42.74 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 3.24 0.00 0.02 -0.67 0.11 -1.99 0.90 132.00 133.61 1ss6 h PRO 36 Ca -0.47 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.43 1ss6 h PRO 36 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1ss6 h PRO 36 CO 0.67 0.00 -0.93 1.03 -0.21 0.00 0.00 178.00 178.57 1ss6 h SER 37 N 0.00 0.23 0.83 -2.05 0.87 -1.97 -3.27 113.55 108.18 1ss6 h SER 37 Ca 0.12 -0.20 -0.24 0.00 -1.23 0.00 0.00 61.79 60.24 1ss6 h SER 37 Cb 0.72 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 1ss6 h SER 37 CO -0.00 1.03 -1.16 0.78 -0.53 0.00 0.00 176.83 176.95 1ss6 h ASN 38 N 0.08 0.12 -0.05 6.23 2.35 -1.20 -3.06 115.58 120.06 1ss6 h ASN 38 Ca -0.05 -0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1ss6 h ASN 38 Cb 1.59 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.91 1ss6 h ASN 38 CO 0.14 1.11 0.04 0.00 -1.65 0.00 0.00 177.43 177.07 1ss6 h ALA 39 N 0.87 2.00 0.19 -0.83 0.00 -1.29 -1.46 119.26 118.73 1ss6 h ALA 39 Ca -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ss6 h ALA 39 Cb 1.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1ss6 h ALA 39 CO 0.14 -0.00 -0.09 0.37 0.00 0.00 0.00 179.25 179.67 1ss6 h GLN 40 N 0.04 -0.24 0.63 0.00 -0.00 -1.59 -0.38 115.11 113.57 1ss6 h GLN 40 Ca 0.02 0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.66 1ss6 h GLN 40 Cb 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.56 1ss6 h GLN 40 CO -0.00 -0.12 -0.48 0.74 0.00 0.00 0.00 178.83 178.97 1ss6 h PHE 41 N -0.31 -1.29 -0.66 3.99 0.04 -1.54 -2.10 116.94 115.07 1ss6 h PHE 41 Ca -0.03 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.81 1ss6 h PHE 41 Cb 0.24 0.48 -0.09 0.00 2.20 0.00 0.00 35.95 38.78 1ss6 h PHE 41 CO -0.05 -0.67 -0.52 -0.07 -0.60 0.00 0.00 178.31 176.40 1ss6 h LEU 42 N -1.06 -1.82 -0.72 1.54 4.07 -1.18 0.64 115.31 116.77 1ss6 h LEU 42 Ca -0.08 0.26 -0.06 0.00 0.08 0.00 0.00 57.88 58.07 1ss6 h LEU 42 Cb 0.88 0.78 -0.03 0.00 1.08 0.00 0.00 40.66 43.37 1ss6 h LEU 42 CO 0.03 -0.28 0.20 -0.08 -1.08 0.00 0.00 178.44 177.23 1ss6 h GLU 43 N -0.16 1.14 -0.45 1.13 4.81 -1.11 0.47 114.58 120.40 1ss6 h GLU 43 Ca 0.11 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 59.02 1ss6 h GLU 43 Cb 0.44 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1ss6 h GLU 43 CO -0.70 0.99 0.07 0.77 -0.73 0.00 0.00 179.01 179.41 1ss6 h SER 44 N 1.08 0.72 0.97 1.04 0.02 -0.51 -0.95 113.55 115.92 1ss6 h SER 44 Ca 0.23 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 1ss6 h SER 44 Cb 0.34 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1ss6 h SER 44 CO -0.00 0.80 -0.22 0.40 -1.14 0.00 0.00 176.83 176.66 1ss6 h ILE 45 N 0.62 0.54 -0.09 3.27 2.04 0.60 0.44 117.51 124.93 1ss6 h ILE 45 Ca 0.14 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 64.83 1ss6 h ILE 45 Cb 0.38 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1ss6 h ILE 45 CO 0.01 0.22 -0.04 -0.09 0.00 0.00 0.00 178.15 178.25 1ss6 h ARG 46 N 0.00 0.19 0.00 2.37 2.43 0.39 -3.01 114.38 116.74 1ss6 h ARG 46 Ca -0.00 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 1ss6 h ARG 46 Cb 0.77 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1ss6 h ARG 46 CO 0.03 0.53 -0.24 0.00 -1.51 0.00 0.00 179.97 178.79 1ss6 h ARG 47 N -0.17 0.00 0.00 0.20 2.47 -0.76 -3.46 114.38 112.66 1ss6 h ARG 47 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1ss6 h ARG 47 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1ss6 h ARG 47 CO 0.01 0.24 0.00 0.41 0.56 0.00 0.00 179.97 181.19 1ss6 n GLY 48 N -0.21 1.08 3.93 0.04 0.00 -0.16 -5.10 105.19 104.76 1ss6 n GLY 48 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.71 2.46 -0.22 1.61 2.02 0.14 -4.94 118.70 119.06 1ss6 s GLU 49 Ca 0.00 -0.26 -0.14 0.00 0.02 0.00 0.00 54.97 54.60 1ss6 s GLU 49 Cb 0.00 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 31.94 1ss6 s GLU 49 CO 0.00 -1.01 0.30 0.08 0.02 0.00 0.00 175.26 174.65 1ss6 s VAL 50 N -3.10 5.27 0.40 2.63 1.01 -1.26 -3.84 120.40 121.50 1ss6 s VAL 50 Ca 0.58 0.48 -0.27 0.00 0.00 0.00 0.00 61.98 62.77 1ss6 s VAL 50 Cb -0.11 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 1ss6 s VAL 50 CO 0.44 0.29 1.47 -2.84 0.00 0.00 0.00 175.10 174.46 1ss6 s PRO 51 N 1.20 3.99 0.51 2.72 0.02 -1.26 -4.90 135.00 137.29 1ss6 s PRO 51 Ca 0.14 2.52 0.30 0.00 0.02 0.00 0.00 61.00 63.98 1ss6 s PRO 51 Cb -0.14 -2.88 1.19 0.00 0.02 0.00 0.00 34.50 32.69 1ss6 s PRO 51 CO 0.06 -0.61 1.92 0.00 -0.33 0.00 0.00 177.00 178.05 1ss6 h ALA 52 N 2.82 1.02 -0.90 -1.55 0.00 -1.97 -2.58 119.26 116.10 1ss6 h ALA 52 Ca -0.51 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.35 1ss6 h ALA 52 Cb 1.25 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1ss6 h ALA 52 CO 0.63 0.10 0.59 0.93 0.00 0.00 0.00 179.25 181.51 1ss6 h GLU 53 N 0.00 1.14 0.06 0.00 3.07 -1.92 0.70 114.58 117.63 1ss6 h GLU 53 Ca -0.00 -0.07 -0.32 0.00 -0.50 0.00 0.00 59.36 58.48 1ss6 h GLU 53 Cb 0.60 -0.26 -0.03 0.00 -0.84 0.00 0.00 28.75 28.22 1ss6 h GLU 53 CO 0.01 0.76 -1.74 1.37 -1.40 0.00 0.00 179.01 178.01 1ss6 h LEU 54 N 1.18 0.21 -0.81 1.33 -0.00 -1.87 -3.32 115.31 112.02 1ss6 h LEU 54 Ca 0.34 -0.41 -0.11 0.00 -0.00 0.00 0.00 57.88 57.70 1ss6 h LEU 54 Cb -0.08 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 40.50 1ss6 h LEU 54 CO -0.09 1.36 -0.52 -0.09 -0.00 0.00 0.00 178.44 179.10 1ss6 h ARG 55 N 0.04 0.00 -1.52 0.17 1.12 -1.23 -1.68 114.38 111.28 1ss6 h ARG 55 Ca -0.31 0.00 -0.24 0.00 -1.11 0.00 0.00 59.98 58.32 1ss6 h ARG 55 Cb 2.01 0.00 -0.11 0.00 -0.01 0.00 0.00 29.97 31.87 1ss6 h ARG 55 CO 0.10 0.52 0.30 0.54 -3.11 0.00 0.00 179.97 178.33 1ss6 n ARG 56 N -3.68 1.58 0.10 0.20 5.12 0.24 -3.65 116.66 116.57 1ss6 n ARG 56 Ca -0.01 -1.17 0.00 0.00 -1.93 0.00 0.00 57.85 54.74 1ss6 n ARG 56 Cb 0.58 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.42 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 0.49 0.22 -4.88 0.55 -0.00 -0.67 -4.95 117.00 107.76 1ss6 n LEU 57 Ca 0.23 0.34 -0.30 0.00 -0.00 0.00 0.00 56.01 56.28 1ss6 n LEU 57 Cb 0.63 0.15 0.01 0.00 -0.00 0.00 0.00 43.42 44.20 1ss6 n LEU 57 CO 0.28 -0.73 0.64 0.00 -0.00 0.00 0.00 177.39 177.57 1ss6 s ALA 58 N -2.00 3.19 0.00 1.96 0.00 -0.99 -4.93 121.76 118.99 1ss6 s ALA 58 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1ss6 s ALA 58 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1ss6 s ALA 58 CO 0.00 -0.57 0.85 -2.39 0.00 0.00 0.00 175.76 173.65 1ss6 n HIS 59 N -2.56 0.00 -1.10 0.00 1.44 -1.24 -4.45 115.22 107.31 1ss6 n HIS 59 Ca 0.04 -0.43 -0.03 0.00 -2.01 0.00 0.00 57.72 55.29 1ss6 n HIS 59 Cb 0.54 -0.28 -0.01 0.00 0.12 0.00 0.00 29.99 30.36 1ss6 n HIS 59 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ss6 n GLY 60 N 1.15 0.64 3.51 -1.39 0.00 -1.24 -5.03 105.19 102.84 1ss6 n GLY 60 Ca 0.00 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 1ss6 n GLY 60 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ss6 s GLY 61 N -2.58 1.74 0.00 -0.02 0.00 -1.26 -4.71 107.32 100.50 1ss6 s GLY 61 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1ss6 s GLY 61 CO 0.00 -1.66 0.00 -0.18 0.00 0.00 0.00 173.10 171.26 1ss6 n GLN 62 N -0.12 -0.75 -3.34 2.90 7.27 -1.26 -4.08 117.38 118.00 1ss6 n GLN 62 Ca -0.10 -0.31 -0.45 0.00 0.07 0.00 0.00 57.00 56.22 1ss6 n GLN 62 Cb 0.57 0.56 -0.07 0.00 2.41 0.00 0.00 30.24 33.71 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 -3.29 5.17 0.12 1.69 0.11 -1.26 -0.51 120.40 122.42 1ss6 s VAL 63 Ca 0.00 -1.03 -0.02 0.00 -2.93 0.00 0.00 61.98 58.00 1ss6 s VAL 63 Cb 0.00 -4.19 -0.04 0.00 -1.53 0.00 0.00 36.38 30.63 1ss6 s VAL 63 CO 0.00 -0.66 0.06 0.21 -3.33 0.00 0.00 175.10 171.38 1ss6 s ASN 64 N 2.75 0.31 0.19 3.54 3.04 -0.15 -4.98 114.94 119.64 1ss6 s ASN 64 Ca 0.06 -1.14 0.05 0.00 0.04 0.00 0.00 52.86 51.86 1ss6 s ASN 64 Cb -0.24 0.29 -0.05 0.00 -1.54 0.00 0.00 41.25 39.71 1ss6 s ASN 64 CO 0.07 -0.72 -0.07 -1.48 -3.04 0.00 0.00 177.10 171.86 1ss6 s LEU 65 N -3.02 2.40 0.05 3.21 2.34 -1.26 -0.05 118.68 122.35 1ss6 s LEU 65 Ca 0.21 -1.10 0.06 0.00 0.06 0.00 0.00 54.13 53.36 1ss6 s LEU 65 Cb 0.07 -0.37 -0.02 0.00 -0.56 0.00 0.00 46.19 45.31 1ss6 s LEU 65 CO -0.00 -0.38 -0.17 -1.81 -1.06 0.00 0.00 176.35 172.92 1ss6 s ASP 66 N -3.25 2.06 -0.20 1.48 1.01 0.44 -4.87 116.67 113.35 1ss6 s ASP 66 Ca 0.22 -0.52 -0.03 0.00 0.71 0.00 0.00 52.55 52.93 1ss6 s ASP 66 Cb 0.03 -0.14 -0.01 0.00 1.01 0.00 0.00 42.92 43.81 1ss6 s ASP 66 CO 0.05 0.07 -0.06 -0.04 0.21 0.00 0.00 175.17 175.40 1ss6 s MET 67 N -1.29 3.41 0.27 8.23 -1.94 -1.25 -0.84 119.30 125.88 1ss6 s MET 67 Ca 0.04 -0.63 0.08 0.00 -1.71 0.00 0.00 55.69 53.47 1ss6 s MET 67 Cb -0.09 -2.92 -0.04 0.00 2.01 0.00 0.00 34.83 33.79 1ss6 s MET 67 CO 0.02 -0.07 0.15 -1.21 -0.01 0.00 0.00 175.02 173.89 1ss6 s GLU 68 N 1.15 2.67 -0.21 2.03 2.02 0.73 -4.98 118.70 122.11 1ss6 s GLU 68 Ca 0.02 -1.23 -0.03 0.00 0.02 0.00 0.00 54.97 53.74 1ss6 s GLU 68 Cb -0.14 -2.40 -0.01 0.00 0.10 0.00 0.00 34.13 31.67 1ss6 s GLU 68 CO -0.01 0.33 -0.05 0.34 0.02 0.00 0.00 175.26 175.88 1ss6 s ASP 69 N -3.81 4.27 -0.28 -0.19 -1.08 -1.26 -0.12 116.67 114.19 1ss6 s ASP 69 Ca 0.34 -0.38 0.20 0.00 -0.52 0.00 0.00 52.55 52.19 1ss6 s ASP 69 Cb -0.07 -1.72 0.48 0.00 -1.46 0.00 0.00 42.92 40.15 1ss6 s ASP 69 CO 0.23 0.00 1.21 1.41 0.52 0.00 0.00 175.17 178.54 1ss6 n HIS 70 N 4.65 0.46 0.12 -5.34 8.25 0.15 -4.88 115.22 118.63 1ss6 n HIS 70 Ca -0.18 -2.06 -0.14 0.00 -0.26 0.00 0.00 57.72 55.08 1ss6 n HIS 70 Cb 0.51 0.19 -0.08 0.00 1.12 0.00 0.00 29.99 31.73 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 2.25 -0.26 -0.65 -0.41 3.08 -1.51 -1.96 114.38 114.93 1ss6 h ARG 71 Ca -0.21 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1ss6 h ARG 71 Cb 1.27 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1ss6 h ARG 71 CO 0.10 -0.04 0.00 -3.47 -1.07 0.00 0.00 179.97 175.50 1ss6 n ASP 72 N -5.13 1.15 -0.04 7.04 2.03 -1.26 -2.97 116.55 117.37 1ss6 n ASP 72 Ca -0.09 -2.07 -0.03 0.00 0.52 0.00 0.00 54.79 53.12 1ss6 n ASP 72 Cb 0.19 -0.36 -0.08 0.00 -0.72 0.00 0.00 41.12 40.15 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 -0.04 1.94 -1.19 -0.67 -0.58 -0.79 -5.13 120.64 114.18 1ss6 n GLU 73 Ca 0.03 -0.02 0.16 0.00 -0.42 0.00 0.00 57.16 56.91 1ss6 n GLU 73 Cb 0.26 -1.27 -0.04 0.00 -0.57 0.00 0.00 31.44 29.82 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 -2.29 -7.08 -4.64 1.62 -0.08 -0.86 -4.78 116.55 98.44 1ss6 n ASP 74 Ca -0.14 0.55 -0.43 0.00 -1.51 0.00 0.00 54.79 53.26 1ss6 n ASP 74 Cb 0.74 -3.65 -0.03 0.00 2.34 0.00 0.00 41.12 40.52 1ss6 n ASP 74 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1ss6 s PHE 75 N -2.23 1.56 -0.39 -0.67 5.36 -1.26 -4.85 117.98 115.51 1ss6 s PHE 75 Ca 0.00 0.15 0.11 0.00 -0.96 0.00 0.00 56.93 56.23 1ss6 s PHE 75 Cb 0.00 -4.05 0.38 0.00 -0.34 0.00 0.00 43.02 39.00 1ss6 s PHE 75 CO 0.00 -4.26 1.05 1.33 -1.46 0.00 0.00 175.22 171.88 1ss6 n VAL 76 N 6.34 0.20 -1.43 3.12 0.24 -1.26 -5.08 118.33 120.45 1ss6 n VAL 76 Ca 0.22 -2.61 -0.30 0.00 -2.04 0.00 0.00 64.34 59.61 1ss6 n VAL 76 Cb 0.43 0.75 0.22 0.00 -1.47 0.00 0.00 33.84 33.77 1ss6 n VAL 76 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1ss6 s LYS 77 N -1.21 -0.44 -0.11 7.34 -2.85 -1.26 -4.83 119.74 116.38 1ss6 s LYS 77 Ca 0.27 -0.20 -0.02 0.00 -1.00 0.00 0.00 55.97 55.02 1ss6 s LYS 77 Cb 0.37 -1.70 -0.07 0.00 -2.06 0.00 0.00 37.83 34.37 1ss6 s LYS 77 CO -0.05 -3.17 1.48 -2.30 0.10 0.00 0.00 175.35 171.42 1ss6 n PRO 78 N -4.34 0.72 0.03 1.78 -0.02 -1.26 -3.66 135.00 128.25 1ss6 n PRO 78 Ca 0.14 -0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.15 1ss6 n PRO 78 Cb 0.59 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 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 3.24 0.00 -1.42 -0.52 4.76 -1.26 -4.58 118.16 118.38 1ss6 n LYS 79 Ca 0.16 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.29 1ss6 n LYS 79 Cb 0.23 -0.27 0.08 0.00 -1.84 0.00 0.00 35.03 33.23 1ss6 n LYS 79 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ss6 n GLY 80 N 3.49 5.79 1.85 0.72 0.00 -1.24 -4.45 105.19 111.35 1ss6 n GLY 80 Ca 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.82 1ss6 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ss6 n ALA 81 N -0.92 0.00 -3.66 4.61 0.00 -1.26 -5.03 120.51 114.26 1ss6 n ALA 81 Ca 0.58 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.79 1ss6 n ALA 81 Cb 0.83 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.32 1ss6 n ALA 81 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ss6 n PHE 82 N -2.54 -1.96 -3.63 0.00 3.72 -1.26 -5.00 117.46 106.80 1ss6 n PHE 82 Ca 0.00 0.76 -0.05 0.00 -0.05 0.00 0.00 57.45 58.11 1ss6 n PHE 82 Cb 0.00 -4.14 -0.06 0.00 -0.94 0.00 0.00 39.48 34.34 1ss6 n PHE 82 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1ss6 s LYS 83 N -5.83 0.63 -0.72 -1.08 -2.85 -1.26 -5.06 119.74 103.58 1ss6 s LYS 83 Ca 0.15 1.19 0.03 0.00 -1.00 0.00 0.00 55.97 56.34 1ss6 s LYS 83 Cb -0.04 0.30 0.32 0.00 -2.06 0.00 0.00 37.83 36.35 1ss6 s LYS 83 CO 0.82 -0.15 1.15 0.00 0.10 0.00 0.00 175.35 177.27 1ss6 n ALA 84 N 4.51 4.95 0.23 0.59 0.00 -1.26 -4.84 120.51 124.69 1ss6 n ALA 84 Ca -0.18 -4.70 0.11 0.00 0.00 0.00 0.00 53.44 48.67 1ss6 n ALA 84 Cb 0.56 -1.17 0.45 0.00 0.00 0.00 0.00 19.45 19.29 1ss6 n ALA 84 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1ss6 h PHE 85 N 3.54 0.00 -3.67 0.00 -0.00 -2.01 -3.34 116.94 111.45 1ss6 h PHE 85 Ca 0.24 0.00 -0.74 0.00 -0.00 0.00 0.00 57.97 57.46 1ss6 h PHE 85 Cb 0.49 0.00 -0.31 0.00 -0.00 0.00 0.00 35.95 36.13 1ss6 h PHE 85 CO 0.95 0.19 -0.13 0.99 -0.00 0.00 0.00 178.31 180.31 1ss6 s THR 86 N -3.58 4.68 0.00 0.88 2.01 -1.26 -5.04 115.64 113.33 1ss6 s THR 86 Ca 0.01 -2.70 0.00 0.00 0.31 0.00 0.00 61.69 59.32 1ss6 s THR 86 Cb 0.09 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.65 1ss6 s THR 86 CO 0.63 -0.95 0.00 0.61 -0.69 0.00 0.00 174.62 174.22 1ss6 n GLY 87 N 3.75 1.87 3.61 4.40 0.00 -1.26 -4.95 105.19 112.62 1ss6 n GLY 87 Ca 0.10 -1.85 -0.52 0.00 0.00 0.00 0.00 46.02 43.76 1ss6 n GLY 87 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ss6 n GLU 88 N 0.00 1.30 0.00 1.61 0.28 -1.26 -3.70 120.64 118.87 1ss6 n GLU 88 Ca 0.00 0.47 0.00 0.00 -0.16 0.00 0.00 57.16 57.47 1ss6 n GLU 88 Cb 0.00 -2.14 0.00 0.00 1.43 0.00 0.00 31.44 30.73 1ss6 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ss6 n GLY 89 N 2.78 1.16 3.48 -1.84 0.00 -1.26 -5.05 105.19 104.45 1ss6 n GLY 89 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1ss6 n GLY 89 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ss6 s GLN 90 N -0.11 3.33 -1.73 1.61 -0.21 -1.24 -4.18 119.66 117.13 1ss6 s GLN 90 Ca 0.00 -1.07 -0.01 0.00 0.02 0.00 0.00 55.36 54.30 1ss6 s GLN 90 Cb 0.00 -4.58 0.00 0.00 1.00 0.00 0.00 33.01 29.43 1ss6 s GLN 90 CO 0.00 -1.90 0.07 1.63 -2.12 0.00 0.00 175.29 172.97 1ss6 n LYS 91 N 7.73 -2.01 -3.16 2.91 5.02 -1.26 -4.91 118.16 122.48 1ss6 n LYS 91 Ca 0.10 0.98 -0.45 0.00 -2.02 0.00 0.00 58.31 56.92 1ss6 n LYS 91 Cb 0.48 -5.64 -0.00 0.00 -0.02 0.00 0.00 35.03 29.84 1ss6 n LYS 91 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1ss6 s LEU 92 N -5.96 5.81 0.00 -0.35 2.96 -1.26 -4.91 118.68 114.97 1ss6 s LEU 92 Ca 0.03 -3.19 0.00 0.00 -0.22 0.00 0.00 54.13 50.76 1ss6 s LEU 92 Cb -0.02 -2.29 0.00 0.00 0.50 0.00 0.00 46.19 44.38 1ss6 s LEU 92 CO 0.04 -0.54 0.00 0.61 -1.32 0.00 0.00 176.35 175.15 1ss6 n GLY 93 N 3.53 -0.77 3.03 7.98 0.00 -1.26 -5.02 105.19 112.68 1ss6 n GLY 93 Ca 0.28 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1ss6 n GLY 93 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ss6 n SER 94 N 3.00 -2.92 -2.63 1.61 7.64 -1.26 -4.21 113.62 114.86 1ss6 n SER 94 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1ss6 n SER 94 Cb 0.00 -2.05 -0.03 0.00 -1.01 0.00 0.00 64.21 61.12 1ss6 n SER 94 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1ss6 n THR 95 N -2.22-12.51 -3.89 0.44 -1.04 -1.26 -5.00 114.28 88.80 1ss6 n THR 95 Ca 0.00 2.41 -0.29 0.00 -2.04 0.00 0.00 64.05 64.13 1ss6 n THR 95 Cb 0.19 -6.69 -0.13 0.00 -1.82 0.00 0.00 70.33 61.88 1ss6 n THR 95 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ss6 s ALA 96 N -1.04 3.34 -0.01 2.41 0.00 -1.26 -4.98 121.76 120.23 1ss6 s ALA 96 Ca -0.18 -3.41 -0.11 0.00 0.00 0.00 0.00 51.96 48.26 1ss6 s ALA 96 Cb 0.01 -2.12 -0.06 0.00 0.00 0.00 0.00 23.12 20.95 1ss6 s ALA 96 CO 0.79 -2.05 0.70 -1.35 0.00 0.00 0.00 175.76 173.84 1ss6 h PRO 97 N 6.04 -0.38 -3.49 0.00 0.11 -1.98 -3.45 132.00 128.85 1ss6 h PRO 97 Ca 0.03 0.03 -0.43 0.00 0.11 0.00 0.00 66.00 65.74 1ss6 h PRO 97 Cb 0.84 0.09 -0.39 0.00 0.11 0.00 0.00 31.00 31.65 1ss6 h PRO 97 CO 0.67 -0.25 -0.76 -0.65 -0.21 0.00 0.00 178.00 176.80 1ss6 s GLN 98 N -3.07 0.34 -1.30 1.05 -0.21 -1.26 -5.06 119.66 110.14 1ss6 s GLN 98 Ca -0.06 0.11 -0.18 0.00 0.02 0.00 0.00 55.36 55.26 1ss6 s GLN 98 Cb 0.01 -1.05 0.04 0.00 1.00 0.00 0.00 33.01 33.01 1ss6 s GLN 98 CO 0.17 -0.39 1.85 1.55 -2.12 0.00 0.00 175.29 176.35 1ss6 n VAL 99 N 5.20 3.60 0.13 1.09 3.14 -1.26 -3.35 118.33 126.88 1ss6 n VAL 99 Ca -0.06 -3.64 0.00 0.00 -2.96 0.00 0.00 64.34 57.68 1ss6 n VAL 99 Cb 0.50 -2.37 0.00 0.00 -1.06 0.00 0.00 33.84 30.90 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 8.60 -2.35 -0.02 6.55 0.00 -1.26 -4.98 117.00 123.54 1ss6 n LEU 100 Ca 0.49 0.54 -0.05 0.00 0.00 0.00 0.00 56.01 56.99 1ss6 n LEU 100 Cb 0.45 2.38 -0.04 0.00 0.00 0.00 0.00 43.42 46.20 1ss6 n LEU 100 CO 0.79 0.01 0.15 0.28 0.00 0.00 0.00 177.39 178.63 1ss6 h SER 101 N 0.00 -0.06 0.00 1.96 0.02 -2.03 -3.56 113.55 109.89 1ss6 h SER 101 Ca 0.00 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1ss6 h SER 101 Cb 0.00 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1ss6 h SER 101 CO 0.00 0.56 0.00 0.41 -1.14 0.00 0.00 176.83 176.66