#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss6 n SER 2 N 0.00 3.33 0.00 1.61 7.64 -1.26 -4.99 113.62 119.95 1ss6 n SER 2 Ca 0.00 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.91 1ss6 n SER 2 Cb 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 1ss6 n SER 2 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ss6 n GLU 3 N 1.36 0.00 -1.08 1.43 2.13 -1.26 -3.85 120.64 119.37 1ss6 n GLU 3 Ca 0.20 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.79 1ss6 n GLU 3 Cb 0.56 0.00 0.13 0.00 0.27 0.00 0.00 31.44 32.39 1ss6 n GLU 3 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1ss6 n LYS 4 N 0.00 2.16 0.38 5.31 5.02 -1.26 -4.57 118.16 125.20 1ss6 n LYS 4 Ca 0.00 -2.60 -0.18 0.00 -2.02 0.00 0.00 58.31 53.52 1ss6 n LYS 4 Cb 0.00 -2.02 -0.09 0.00 -0.02 0.00 0.00 35.03 32.90 1ss6 n LYS 4 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1ss6 h ARG 5 N 1.14 -0.93 -5.40 1.97 2.43 -1.99 -3.40 114.38 108.20 1ss6 h ARG 5 Ca 0.53 0.06 -0.62 0.00 -0.81 0.00 0.00 59.98 59.14 1ss6 h ARG 5 Cb 2.05 0.21 -0.13 0.00 -0.42 0.00 0.00 29.97 31.69 1ss6 h ARG 5 CO 1.06 -0.60 0.05 -0.65 -1.51 0.00 0.00 179.97 178.32 1ss6 s GLN 6 N -5.64 4.00 0.05 0.20 -1.52 -1.26 -5.01 119.66 110.47 1ss6 s GLN 6 Ca -0.17 0.31 -0.00 0.00 -1.95 0.00 0.00 55.36 53.55 1ss6 s GLN 6 Cb 0.03 -3.68 0.00 0.00 -0.22 0.00 0.00 33.01 29.13 1ss6 s GLN 6 CO 0.57 -0.44 0.07 -2.39 -0.25 0.00 0.00 175.29 172.85 1ss6 n HIS 7 N 5.67 -0.53 0.00 0.91 1.44 -1.26 -4.67 115.22 116.78 1ss6 n HIS 7 Ca -0.03 -0.34 0.00 0.00 -2.01 0.00 0.00 57.72 55.34 1ss6 n HIS 7 Cb 0.49 0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.68 1ss6 n HIS 7 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1ss6 n SER 8 N -2.14 0.00 -0.12 4.39 7.64 -1.23 -3.30 113.62 118.86 1ss6 n SER 8 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 1ss6 n SER 8 Cb 0.08 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.26 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 2.54 0.83 -2.95 6.43 3.41 -1.26 -0.26 113.62 122.36 1ss6 n SER 9 Ca 0.00 -0.91 -0.19 0.00 -0.26 0.00 0.00 58.87 57.51 1ss6 n SER 9 Cb 0.00 0.72 -0.02 0.00 -0.26 0.00 0.00 64.21 64.65 1ss6 n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ss6 n GLN 10 N -0.71 1.78 -0.34 4.33 6.02 -1.21 -4.92 117.38 122.34 1ss6 n GLN 10 Ca 0.03 -3.81 0.01 0.00 -0.01 0.00 0.00 57.00 53.22 1ss6 n GLN 10 Cb 0.17 -1.79 -0.00 0.00 1.02 0.00 0.00 30.24 29.64 1ss6 n GLN 10 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1ss6 n ASP 11 N 0.01 -1.82 -3.66 1.08 -0.08 -1.26 -4.27 116.55 106.55 1ss6 n ASP 11 Ca 0.24 0.40 -0.08 0.00 -1.51 0.00 0.00 54.79 53.84 1ss6 n ASP 11 Cb 0.63 -0.44 -0.09 0.00 2.34 0.00 0.00 41.12 43.56 1ss6 n ASP 11 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1ss6 s VAL 12 N -4.15 -0.55 -0.32 5.18 0.11 -0.23 -3.50 120.40 116.94 1ss6 s VAL 12 Ca 0.00 0.12 -0.10 0.00 -2.93 0.00 0.00 61.98 59.07 1ss6 s VAL 12 Cb 0.00 -0.73 -0.00 0.00 -1.53 0.00 0.00 36.38 34.12 1ss6 s VAL 12 CO 0.00 0.05 0.15 -1.00 -3.33 0.00 0.00 175.10 170.97 1ss6 s HIS 13 N 2.37 3.18 -0.23 1.54 3.76 -1.26 -1.27 115.29 123.39 1ss6 s HIS 13 Ca -0.04 -0.64 -0.09 0.00 -0.15 0.00 0.00 55.06 54.14 1ss6 s HIS 13 Cb -0.11 -2.36 -0.05 0.00 1.11 0.00 0.00 32.58 31.18 1ss6 s HIS 13 CO -0.14 -0.48 0.13 0.08 -0.85 0.00 0.00 174.74 173.47 1ss6 s VAL 14 N 1.60 5.13 -0.00 -0.90 1.01 0.22 -4.92 120.40 122.53 1ss6 s VAL 14 Ca 0.04 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 1ss6 s VAL 14 Cb -0.17 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 1ss6 s VAL 14 CO 0.06 0.37 1.26 0.54 0.00 0.00 0.00 175.10 177.33 1ss6 s VAL 15 N 0.96 4.02 -0.13 2.92 0.11 -1.26 -0.50 120.40 126.52 1ss6 s VAL 15 Ca 0.06 1.39 -0.02 0.00 -2.93 0.00 0.00 61.98 60.49 1ss6 s VAL 15 Cb -0.13 -3.90 0.04 0.00 -1.53 0.00 0.00 36.38 30.86 1ss6 s VAL 15 CO 0.03 0.03 0.02 -0.22 -3.33 0.00 0.00 175.10 171.63 1ss6 s LEU 16 N 1.93 0.84 -0.06 2.54 0.20 0.08 -2.53 118.68 121.69 1ss6 s LEU 16 Ca 0.59 -0.44 -0.02 0.00 0.69 0.00 0.00 54.13 54.95 1ss6 s LEU 16 Cb -0.28 -0.50 -0.04 0.00 -0.43 0.00 0.00 46.19 44.94 1ss6 s LEU 16 CO 0.25 -0.25 0.05 -0.54 -0.29 0.00 0.00 176.35 175.57 1ss6 s LYS 17 N 1.93 3.07 -0.23 1.98 1.02 0.48 -0.30 119.74 127.68 1ss6 s LYS 17 Ca 0.02 -0.40 -0.10 0.00 0.02 0.00 0.00 55.97 55.51 1ss6 s LYS 17 Cb -0.15 -2.87 -0.05 0.00 -0.52 0.00 0.00 37.83 34.24 1ss6 s LYS 17 CO -0.07 0.69 0.14 -1.17 -0.92 0.00 0.00 175.35 174.02 1ss6 s LEU 18 N -1.26 4.03 0.00 3.17 2.96 0.16 -1.62 118.68 126.12 1ss6 s LEU 18 Ca 0.17 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 1ss6 s LEU 18 Cb -0.12 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.50 1ss6 s LEU 18 CO 0.07 0.07 0.05 0.79 -1.32 0.00 0.00 176.35 176.01 1ss6 n TRP 19 N 4.22 0.05 0.14 5.38 7.02 0.76 0.35 117.44 135.36 1ss6 n TRP 19 Ca -0.15 -1.03 0.01 0.00 -1.02 0.00 0.00 57.50 55.31 1ss6 n TRP 19 Cb 0.52 -0.15 0.12 0.00 -2.42 0.00 0.00 31.31 29.37 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 0.00 -0.99 5.09 -1.75 -3.37 116.57 115.55 1ss6 h LYS 20 Ca -0.17 0.00 -0.39 0.00 0.09 0.00 0.00 60.65 60.18 1ss6 h LYS 20 Cb 0.53 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 32.80 1ss6 h LYS 20 CO 0.28 0.60 -2.40 -1.13 -2.09 0.00 0.00 179.45 174.70 1ss6 n SER 21 N -3.45 1.97 0.00 7.07 3.41 -1.26 -4.99 113.62 116.37 1ss6 n SER 21 Ca 0.00 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1ss6 n SER 21 Cb 0.69 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 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 1.88 3.50 3.13 5.00 0.00 -1.26 -0.32 105.19 117.13 1ss6 n GLY 22 Ca -0.46 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.70 0.93 0.15 1.61 -0.12 0.65 -0.17 117.98 120.33 1ss6 s PHE 23 Ca 0.00 -0.54 0.09 0.00 -0.05 0.00 0.00 56.93 56.44 1ss6 s PHE 23 Cb 0.00 -0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 41.82 1ss6 s PHE 23 CO 0.00 -0.02 -0.22 -1.54 -0.05 0.00 0.00 175.22 173.39 1ss6 s SER 24 N -1.87 2.89 0.28 1.98 1.04 -0.64 0.52 113.70 117.89 1ss6 s SER 24 Ca -0.03 -0.79 -0.09 0.00 0.48 0.00 0.00 55.95 55.52 1ss6 s SER 24 Cb -0.08 -0.18 -0.00 0.00 0.10 0.00 0.00 66.02 65.86 1ss6 s SER 24 CO 0.01 0.06 0.46 -1.48 0.98 0.00 0.00 173.24 173.27 1ss6 s LEU 25 N -2.34 0.58 0.56 2.42 2.34 -0.22 -0.39 118.68 121.63 1ss6 s LEU 25 Ca 0.14 -1.15 0.30 0.00 0.06 0.00 0.00 54.13 53.48 1ss6 s LEU 25 Cb -0.08 1.61 1.67 0.00 -0.56 0.00 0.00 46.19 48.84 1ss6 s LEU 25 CO 0.06 -1.19 2.16 -0.78 -1.06 0.00 0.00 176.35 175.55 1ss6 h ASP 26 N 2.23 0.00 1.61 1.48 3.58 -1.85 -2.28 116.42 121.19 1ss6 h ASP 26 Ca -0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1ss6 h ASP 26 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 1ss6 h ASP 26 CO 0.38 0.06 -0.12 0.78 -2.88 0.00 0.00 179.24 177.47 1ss6 h ASN 27 N 0.00 0.00 -5.14 2.28 2.35 -1.95 -3.48 115.58 109.65 1ss6 h ASN 27 Ca -0.00 -0.02 0.36 0.00 -0.55 0.00 0.00 56.30 56.09 1ss6 h ASN 27 Cb 0.19 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.39 1ss6 h ASN 27 CO 0.01 0.01 0.96 -0.83 -1.65 0.00 0.00 177.43 175.93 1ss6 s GLY 28 N -3.89 -0.37 0.00 2.83 0.00 -0.86 -5.18 107.32 99.86 1ss6 s GLY 28 Ca 0.08 1.32 0.00 0.00 0.00 0.00 0.00 44.72 46.12 1ss6 s GLY 28 CO 0.65 0.36 0.00 1.18 0.00 0.00 0.00 173.10 175.29 1ss6 n GLU 29 N -0.29 0.54 -1.76 2.90 1.02 -1.26 -1.06 120.64 120.72 1ss6 n GLU 29 Ca -0.03 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.68 1ss6 n GLU 29 Cb 0.61 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.00 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 3.57 -0.25 -4.62 0.20 -1.26 -4.22 118.68 112.10 1ss6 s LEU 30 Ca 0.00 1.77 -0.04 0.00 0.69 0.00 0.00 54.13 56.55 1ss6 s LEU 30 Cb 0.00 -3.52 0.00 0.00 -0.43 0.00 0.00 46.19 42.25 1ss6 s LEU 30 CO 0.00 -1.77 -0.01 -0.13 -0.29 0.00 0.00 176.35 174.15 1ss6 s ARG 31 N 5.88 3.19 0.54 1.98 0.52 0.18 -4.85 118.95 126.39 1ss6 s ARG 31 Ca 0.92 -0.76 -0.21 0.00 -0.52 0.00 0.00 55.73 55.16 1ss6 s ARG 31 Cb -0.30 -3.11 -0.06 0.00 0.52 0.00 0.00 34.95 31.99 1ss6 s ARG 31 CO 0.35 -0.31 1.13 0.45 0.02 0.00 0.00 175.30 176.94 1ss6 n SER 32 N 4.79 1.64 0.03 0.23 2.88 -1.26 -0.25 113.62 121.69 1ss6 n SER 32 Ca -0.17 0.93 0.10 0.00 -1.33 0.00 0.00 58.87 58.40 1ss6 n SER 32 Cb 0.49 -1.46 0.40 0.00 -0.75 0.00 0.00 64.21 62.90 1ss6 n SER 32 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1ss6 n TYR 33 N -1.16 0.22 0.11 0.66 4.01 0.57 -2.65 117.16 118.92 1ss6 n TYR 33 Ca 0.11 0.08 -0.03 0.00 -0.16 0.00 0.00 57.90 57.91 1ss6 n TYR 33 Cb 0.44 -0.63 0.04 0.00 -0.31 0.00 0.00 39.34 38.88 1ss6 n TYR 33 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1ss6 h GLN 34 N 0.00 0.00 -6.58 -0.72 1.08 -1.90 -3.45 115.11 103.54 1ss6 h GLN 34 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 1ss6 h GLN 34 Cb 0.34 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.80 1ss6 h GLN 34 CO 0.00 0.75 0.66 0.34 -0.95 0.00 0.00 178.83 179.64 1ss6 s ASP 35 N -6.69 6.91 0.04 1.46 -1.08 -1.08 -4.93 116.67 111.30 1ss6 s ASP 35 Ca 0.01 2.28 0.22 0.00 -0.52 0.00 0.00 52.55 54.54 1ss6 s ASP 35 Cb 0.11 -2.59 0.91 0.00 -1.46 0.00 0.00 42.92 39.88 1ss6 s ASP 35 CO 0.78 -0.57 1.69 -0.81 0.52 0.00 0.00 175.17 176.78 1ss6 n PRO 36 N 3.51 0.04 0.04 4.34 -0.04 -1.26 -2.20 135.00 139.42 1ss6 n PRO 36 Ca 0.09 0.17 -0.05 0.00 -0.04 0.00 0.00 63.50 63.66 1ss6 n PRO 36 Cb 0.43 -1.56 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 1ss6 n PRO 36 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1ss6 h SER 37 N 0.00 0.00 1.78 3.54 0.02 -1.95 -3.21 113.55 113.73 1ss6 h SER 37 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1ss6 h SER 37 Cb 0.40 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 1ss6 h SER 37 CO 0.00 0.87 -0.22 0.78 -1.14 0.00 0.00 176.83 177.12 1ss6 h ASN 38 N 0.00 0.00 -0.23 3.07 2.35 -1.78 -2.94 115.58 116.05 1ss6 h ASN 38 Ca -0.12 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1ss6 h ASN 38 Cb 1.78 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.14 1ss6 h ASN 38 CO 0.09 0.14 0.16 0.00 -1.65 0.00 0.00 177.43 176.18 1ss6 h ALA 39 N 1.86 2.21 -0.13 -0.83 0.00 -1.44 -1.47 119.26 119.46 1ss6 h ALA 39 Ca -0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ss6 h ALA 39 Cb 1.11 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1ss6 h ALA 39 CO 0.02 -0.27 -0.21 0.37 0.00 0.00 0.00 179.25 179.15 1ss6 h GLN 40 N 0.01 -0.26 0.96 0.00 -0.00 -1.62 0.56 115.11 114.75 1ss6 h GLN 40 Ca 0.11 0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.73 1ss6 h GLN 40 Cb 0.42 0.06 0.01 0.00 0.00 0.00 0.00 27.48 27.97 1ss6 h GLN 40 CO -0.00 -0.18 -0.49 0.74 0.00 0.00 0.00 178.83 178.90 1ss6 h PHE 41 N -0.27 -1.29 -0.58 3.99 0.04 -1.51 -1.94 116.94 115.38 1ss6 h PHE 41 Ca 0.10 -0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.93 1ss6 h PHE 41 Cb 0.42 0.43 -0.11 0.00 2.20 0.00 0.00 35.95 38.90 1ss6 h PHE 41 CO -0.32 -0.78 -0.42 -0.07 -0.60 0.00 0.00 178.31 176.12 1ss6 h LEU 42 N -1.33 -1.45 -0.04 1.54 3.38 -1.06 0.43 115.31 116.78 1ss6 h LEU 42 Ca -0.13 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1ss6 h LEU 42 Cb 1.03 0.67 -0.00 0.00 0.09 0.00 0.00 40.66 42.44 1ss6 h LEU 42 CO 0.20 -0.33 -0.01 -0.33 0.09 0.00 0.00 178.44 178.06 1ss6 h GLU 43 N -0.22 0.08 -1.00 1.13 4.39 -0.94 0.60 114.58 118.63 1ss6 h GLU 43 Ca 0.19 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.87 1ss6 h GLU 43 Cb 0.56 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.16 1ss6 h GLU 43 CO -0.69 0.42 0.66 1.03 -1.16 0.00 0.00 179.01 179.27 1ss6 h SER 44 N -0.26 1.14 -0.52 1.42 0.87 -0.74 0.25 113.55 115.71 1ss6 h SER 44 Ca 0.01 -0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.42 1ss6 h SER 44 Cb 0.39 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1ss6 h SER 44 CO 0.00 0.82 -0.16 0.40 -0.53 0.00 0.00 176.83 177.37 1ss6 h ILE 45 N 1.34 1.27 -0.64 2.23 2.04 -0.03 0.17 117.51 123.89 1ss6 h ILE 45 Ca 0.37 -1.32 -0.04 0.00 1.00 0.00 0.00 64.86 64.87 1ss6 h ILE 45 Cb -0.14 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1ss6 h ILE 45 CO -0.08 0.46 0.26 0.03 0.00 0.00 0.00 178.15 178.82 1ss6 h ARG 46 N 0.89 0.96 0.00 2.37 3.08 0.03 -2.24 114.38 119.47 1ss6 h ARG 46 Ca 0.13 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1ss6 h ARG 46 Cb 0.73 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1ss6 h ARG 46 CO 0.06 0.81 0.00 0.00 -1.07 0.00 0.00 179.97 179.77 1ss6 h ARG 47 N 0.90 0.00 0.00 0.04 2.47 -0.28 -3.45 114.38 114.06 1ss6 h ARG 47 Ca 0.21 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.93 1ss6 h ARG 47 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 1ss6 h ARG 47 CO -0.02 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.92 1ss6 n GLY 48 N -0.66 0.70 3.95 0.04 0.00 -0.84 -5.06 105.19 103.30 1ss6 n GLY 48 Ca -0.01 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.67 1.72 -0.33 1.61 2.02 0.56 -5.01 118.70 118.60 1ss6 s GLU 49 Ca 0.00 -0.51 -0.14 0.00 0.02 0.00 0.00 54.97 54.34 1ss6 s GLU 49 Cb 0.00 -2.14 -0.02 0.00 0.10 0.00 0.00 34.13 32.07 1ss6 s GLU 49 CO 0.00 -1.55 0.33 0.54 0.02 0.00 0.00 175.26 174.60 1ss6 s VAL 50 N -3.36 5.20 0.27 2.63 0.11 -1.26 -4.38 120.40 119.61 1ss6 s VAL 50 Ca 0.65 0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 59.47 1ss6 s VAL 50 Cb -0.08 -3.76 -0.11 0.00 -1.53 0.00 0.00 36.38 30.90 1ss6 s VAL 50 CO 0.46 -0.02 1.61 -2.84 -3.33 0.00 0.00 175.10 170.99 1ss6 s PRO 51 N 1.95 4.14 0.27 1.54 0.02 -1.26 -4.85 135.00 136.80 1ss6 s PRO 51 Ca 0.11 2.56 -0.03 0.00 0.02 0.00 0.00 61.00 63.65 1ss6 s PRO 51 Cb -0.17 -3.04 0.56 0.00 0.02 0.00 0.00 34.50 31.87 1ss6 s PRO 51 CO 0.11 -0.64 1.62 0.00 -0.33 0.00 0.00 177.00 177.76 1ss6 h ALA 52 N 5.35 0.96 -0.77 -1.55 0.00 -1.97 -0.07 119.26 121.21 1ss6 h ALA 52 Ca -0.46 0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.84 1ss6 h ALA 52 Cb 1.22 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 1ss6 h ALA 52 CO 0.83 -0.46 0.51 0.93 0.00 0.00 0.00 179.25 181.06 1ss6 h GLU 53 N 0.11 0.52 0.11 0.00 4.39 -1.96 0.60 114.58 118.34 1ss6 h GLU 53 Ca 0.48 -0.03 -0.27 0.00 0.34 0.00 0.00 59.36 59.88 1ss6 h GLU 53 Cb 0.90 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1ss6 h GLU 53 CO -0.72 0.34 -1.24 -0.07 -1.16 0.00 0.00 179.01 176.16 1ss6 h LEU 54 N 0.53 0.35 -0.25 1.33 3.38 -1.37 -2.60 115.31 116.69 1ss6 h LEU 54 Ca 0.37 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ss6 h LEU 54 Cb 0.70 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1ss6 h LEU 54 CO -0.13 1.31 0.00 -0.09 0.09 0.00 0.00 178.44 179.61 1ss6 h ARG 55 N 0.06 0.00 -0.03 1.13 1.12 -0.96 0.31 114.38 116.00 1ss6 h ARG 55 Ca -0.13 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.74 1ss6 h ARG 55 Cb 1.95 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.91 1ss6 h ARG 55 CO 0.19 0.00 0.00 0.54 -3.11 0.00 0.00 179.97 177.59 1ss6 n ARG 56 N -2.31 1.35 -0.08 0.20 5.12 0.20 -3.97 116.66 117.17 1ss6 n ARG 56 Ca 0.04 -0.51 -0.12 0.00 -1.93 0.00 0.00 57.85 55.33 1ss6 n ARG 56 Cb 0.37 -1.44 -0.04 0.00 -1.16 0.00 0.00 32.46 30.19 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 -0.34 1.79 -4.76 0.55 -0.00 -0.09 -4.95 117.00 109.20 1ss6 n LEU 57 Ca 0.19 0.30 -0.37 0.00 -0.00 0.00 0.00 56.01 56.14 1ss6 n LEU 57 Cb 0.22 -0.69 -0.07 0.00 -0.00 0.00 0.00 43.42 42.89 1ss6 n LEU 57 CO 0.15 -0.16 -0.03 0.00 -0.00 0.00 0.00 177.39 177.35 1ss6 s ALA 58 N -2.71 3.65 -1.21 1.96 0.00 -0.10 -4.27 121.76 119.08 1ss6 s ALA 58 Ca -0.27 -0.46 -0.17 0.00 0.00 0.00 0.00 51.96 51.06 1ss6 s ALA 58 Cb 0.05 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 1ss6 s ALA 58 CO 0.38 0.22 2.11 1.58 0.00 0.00 0.00 175.76 180.05 1ss6 n HIS 59 N 3.10 2.97 -3.48 0.00 -0.00 0.64 -4.08 115.22 114.37 1ss6 n HIS 59 Ca -0.14 -2.55 -0.20 0.00 0.46 0.00 0.00 57.72 55.29 1ss6 n HIS 59 Cb 0.52 -2.26 0.08 0.00 -0.12 0.00 0.00 29.99 28.21 1ss6 n HIS 59 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ss6 n GLY 60 N 4.30 -0.42 0.00 1.57 0.00 -1.26 -4.91 105.19 104.46 1ss6 n GLY 60 Ca 0.51 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -1.64 4.16 3.46 -0.02 0.00 -1.26 -4.96 105.19 104.93 1ss6 n GLY 61 Ca -0.10 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 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 0.00 1.75 -3.21 1.61 7.27 -1.26 -4.89 117.38 118.65 1ss6 n GLN 62 Ca 0.00 -2.41 -0.44 0.00 0.07 0.00 0.00 57.00 54.22 1ss6 n GLN 62 Cb 0.00 -3.52 -0.06 0.00 2.41 0.00 0.00 30.24 29.07 1ss6 n GLN 62 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1ss6 s VAL 63 N 8.94 4.96 0.19 1.69 1.01 -1.26 -1.07 120.40 134.85 1ss6 s VAL 63 Ca 0.64 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.91 1ss6 s VAL 63 Cb 0.03 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1ss6 s VAL 63 CO 0.12 -0.83 -0.13 0.21 0.00 0.00 0.00 175.10 174.48 1ss6 s ASN 64 N 2.92 2.31 0.11 3.32 3.04 -0.40 -4.90 114.94 121.34 1ss6 s ASN 64 Ca 0.11 -1.02 0.04 0.00 0.04 0.00 0.00 52.86 52.03 1ss6 s ASN 64 Cb -0.22 -0.09 -0.04 0.00 -1.54 0.00 0.00 41.25 39.36 1ss6 s ASN 64 CO 0.09 -0.23 -0.11 -1.48 -3.04 0.00 0.00 177.10 172.33 1ss6 s LEU 65 N -3.27 2.42 -0.04 3.21 2.34 -1.26 -0.61 118.68 121.47 1ss6 s LEU 65 Ca 0.21 -0.84 0.05 0.00 0.06 0.00 0.00 54.13 53.61 1ss6 s LEU 65 Cb 0.00 -0.37 -0.01 0.00 -0.56 0.00 0.00 46.19 45.26 1ss6 s LEU 65 CO 0.05 -0.24 -0.19 -1.81 -1.06 0.00 0.00 176.35 173.10 1ss6 s ASP 66 N -2.53 2.31 -0.20 1.48 1.01 0.35 -4.82 116.67 114.26 1ss6 s ASP 66 Ca 0.08 -0.37 -0.06 0.00 0.71 0.00 0.00 52.55 52.91 1ss6 s ASP 66 Cb -0.03 -0.54 -0.03 0.00 1.01 0.00 0.00 42.92 43.34 1ss6 s ASP 66 CO 0.01 0.19 0.01 -0.04 0.21 0.00 0.00 175.17 175.55 1ss6 s MET 67 N -0.12 3.67 0.07 8.23 -1.94 -1.25 -0.74 119.30 127.23 1ss6 s MET 67 Ca -0.01 -0.49 0.02 0.00 -1.71 0.00 0.00 55.69 53.50 1ss6 s MET 67 Cb -0.11 -3.12 -0.04 0.00 2.01 0.00 0.00 34.83 33.58 1ss6 s MET 67 CO 0.02 0.04 0.10 -1.21 -0.01 0.00 0.00 175.02 173.95 1ss6 s GLU 68 N 0.95 2.97 -0.26 2.03 2.02 0.58 -4.97 118.70 122.01 1ss6 s GLU 68 Ca 0.02 -0.64 -0.08 0.00 0.02 0.00 0.00 54.97 54.29 1ss6 s GLU 68 Cb -0.14 -2.78 -0.03 0.00 0.10 0.00 0.00 34.13 31.28 1ss6 s GLU 68 CO 0.02 0.58 0.10 0.34 0.02 0.00 0.00 175.26 176.31 1ss6 s ASP 69 N -2.35 5.29 0.09 -0.19 -1.08 -1.26 0.37 116.67 117.53 1ss6 s ASP 69 Ca 0.29 -0.27 0.00 0.00 -0.52 0.00 0.00 52.55 52.06 1ss6 s ASP 69 Cb -0.12 -1.95 0.00 0.00 -1.46 0.00 0.00 42.92 39.38 1ss6 s ASP 69 CO 0.22 -0.07 0.00 1.41 0.52 0.00 0.00 175.17 177.25 1ss6 n HIS 70 N 4.94 -0.58 0.00 -5.34 8.25 -0.12 -4.91 115.22 117.47 1ss6 n HIS 70 Ca -0.15 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1ss6 n HIS 70 Cb 0.51 0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.89 1ss6 n HIS 70 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ss6 n ARG 71 N -3.07 0.00 0.00 -0.41 1.74 0.15 -1.27 116.66 113.81 1ss6 n ARG 71 Ca 0.00 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 1ss6 n ARG 71 Cb 0.14 0.00 0.57 0.00 -1.02 0.00 0.00 32.46 32.15 1ss6 n ARG 71 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1ss6 n ASP 72 N 4.04 0.00 0.22 0.55 9.92 -1.26 -0.93 116.55 129.09 1ss6 n ASP 72 Ca 0.00 -0.07 0.09 0.00 -0.53 0.00 0.00 54.79 54.28 1ss6 n ASP 72 Cb 0.00 -0.27 0.52 0.00 -0.64 0.00 0.00 41.12 40.73 1ss6 n ASP 72 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1ss6 h GLU 73 N 0.00 0.00 -2.34 -1.24 5.08 -1.56 -3.50 114.58 111.03 1ss6 h GLU 73 Ca 0.00 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 58.64 1ss6 h GLU 73 Cb 0.20 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 1ss6 h GLU 73 CO 0.00 0.24 -0.39 -3.47 -1.00 0.00 0.00 179.01 174.39 1ss6 n ASP 74 N -3.67 -6.22 -4.62 1.42 -0.08 -0.11 -4.77 116.55 98.50 1ss6 n ASP 74 Ca -0.01 0.43 -0.43 0.00 -1.51 0.00 0.00 54.79 53.27 1ss6 n ASP 74 Cb 0.36 -3.18 -0.03 0.00 2.34 0.00 0.00 41.12 40.61 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 -1.94 1.35 -0.41 -0.67 5.36 -1.26 -4.86 117.98 115.55 1ss6 s PHE 75 Ca 0.00 0.31 0.05 0.00 -0.96 0.00 0.00 56.93 56.33 1ss6 s PHE 75 Cb 0.00 -4.03 0.19 0.00 -0.34 0.00 0.00 43.02 38.84 1ss6 s PHE 75 CO 0.00 -4.22 0.41 1.33 -1.46 0.00 0.00 175.22 171.29 1ss6 n VAL 76 N 7.06 -1.02 -1.69 3.12 0.24 -1.26 -5.14 118.33 119.64 1ss6 n VAL 76 Ca 0.26 -3.38 -0.30 0.00 -2.04 0.00 0.00 64.34 58.88 1ss6 n VAL 76 Cb 0.44 -1.51 0.09 0.00 -1.47 0.00 0.00 33.84 31.39 1ss6 n VAL 76 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ss6 s LYS 77 N -0.16 2.02 0.12 7.34 1.02 -1.26 -4.91 119.74 123.92 1ss6 s LYS 77 Ca 0.33 0.41 0.13 0.00 0.02 0.00 0.00 55.97 56.86 1ss6 s LYS 77 Cb 0.07 -1.93 0.60 0.00 -0.52 0.00 0.00 37.83 36.05 1ss6 s LYS 77 CO -0.17 -1.61 1.39 -2.30 -0.92 0.00 0.00 175.35 171.74 1ss6 n PRO 78 N -3.39 0.07 -0.06 -1.68 -0.02 -1.26 -1.27 135.00 127.39 1ss6 n PRO 78 Ca 0.07 0.46 0.09 0.00 -2.02 0.00 0.00 63.50 62.11 1ss6 n PRO 78 Cb 0.58 -1.68 0.38 0.00 -0.02 0.00 0.00 33.50 32.77 1ss6 n PRO 78 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1ss6 n LYS 79 N -1.81 1.50 -2.06 -0.52 2.85 -1.26 -3.84 118.16 113.02 1ss6 n LYS 79 Ca 0.01 -0.76 -0.01 0.00 -1.05 0.00 0.00 58.31 56.50 1ss6 n LYS 79 Cb 0.09 -1.33 0.04 0.00 -0.65 0.00 0.00 35.03 33.17 1ss6 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ss6 n GLY 80 N 1.00 1.37 0.00 2.58 0.00 -0.40 -5.03 105.19 104.72 1ss6 n GLY 80 Ca 0.14 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.38 0.49 -3.65 4.61 0.00 -1.23 -4.84 120.51 115.50 1ss6 n ALA 81 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 1ss6 n ALA 81 Cb 0.89 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.28 1ss6 n ALA 81 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ss6 s PHE 82 N 0.00 -0.05 0.00 0.00 5.36 -1.26 -4.46 117.98 117.57 1ss6 s PHE 82 Ca 0.00 0.11 0.00 0.00 -0.96 0.00 0.00 56.93 56.08 1ss6 s PHE 82 Cb 0.00 0.39 0.00 0.00 -0.34 0.00 0.00 43.02 43.07 1ss6 s PHE 82 CO 0.00 -0.02 0.00 1.63 -1.46 0.00 0.00 175.22 175.37 1ss6 n LYS 83 N 1.90 0.00 0.00 10.12 4.76 -1.26 -4.29 118.16 129.39 1ss6 n LYS 83 Ca -0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1ss6 n LYS 83 Cb 0.57 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.76 1ss6 n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ss6 n ALA 84 N 5.76 0.00 -1.77 7.82 0.00 -1.26 -4.68 120.51 126.37 1ss6 n ALA 84 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1ss6 n ALA 84 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1ss6 n ALA 84 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ss6 s PHE 85 N 0.00 3.32 -0.34 0.00 5.36 -1.26 -4.93 117.98 120.13 1ss6 s PHE 85 Ca 0.00 1.65 -0.27 0.00 -0.96 0.00 0.00 56.93 57.34 1ss6 s PHE 85 Cb 0.00 -3.22 -0.05 0.00 -0.34 0.00 0.00 43.02 39.40 1ss6 s PHE 85 CO 0.00 -0.73 2.23 0.99 -1.46 0.00 0.00 175.22 176.25 1ss6 s THR 86 N -1.46 3.06 -1.00 0.12 2.01 -1.26 -4.91 115.64 112.19 1ss6 s THR 86 Ca 0.54 0.06 -0.15 0.00 0.31 0.00 0.00 61.69 62.45 1ss6 s THR 86 Cb -0.27 -3.11 0.18 0.00 0.01 0.00 0.00 72.50 69.32 1ss6 s THR 86 CO 0.34 -0.09 1.12 -0.83 -0.69 0.00 0.00 174.62 174.47 1ss6 s GLY 87 N 9.44 2.41 0.00 4.40 0.00 -1.26 -4.65 107.32 117.66 1ss6 s GLY 87 Ca 0.96 -3.21 0.00 0.00 0.00 0.00 0.00 44.72 42.47 1ss6 s GLY 87 CO 0.31 1.75 0.00 -2.21 0.00 0.00 0.00 173.10 172.95 1ss6 n GLU 88 N 5.16 0.00 -4.23 2.90 2.13 -1.26 -4.77 120.64 120.57 1ss6 n GLU 88 Ca 0.25 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.94 1ss6 n GLU 88 Cb 0.46 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.06 1ss6 n GLU 88 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1ss6 s GLY 89 N 0.00 1.41 0.00 8.31 0.00 -1.26 -5.11 107.32 110.67 1ss6 s GLY 89 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.03 1ss6 s GLY 89 CO 0.00 -1.46 0.18 -1.06 0.00 0.00 0.00 173.10 170.76 1ss6 n GLN 90 N -0.29 0.00 -2.71 2.90 1.13 -1.26 -4.74 117.38 112.42 1ss6 n GLN 90 Ca -0.01 0.16 -0.07 0.00 -1.94 0.00 0.00 57.00 55.14 1ss6 n GLN 90 Cb 0.65 -0.80 0.11 0.00 0.11 0.00 0.00 30.24 30.32 1ss6 n GLN 90 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1ss6 n LYS 91 N -0.98 1.15 0.00 -1.09 4.81 -1.26 -4.82 118.16 115.98 1ss6 n LYS 91 Ca 0.00 -1.83 0.12 0.00 -0.87 0.00 0.00 58.31 55.73 1ss6 n LYS 91 Cb 0.00 -0.23 0.11 0.00 0.02 0.00 0.00 35.03 34.93 1ss6 n LYS 91 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1ss6 n LEU 92 N -0.41 2.73 -3.94 3.14 7.99 -1.26 -4.85 117.00 120.39 1ss6 n LEU 92 Ca -0.02 -0.92 -0.29 0.00 -0.01 0.00 0.00 56.01 54.77 1ss6 n LEU 92 Cb 0.82 -0.00 -0.16 0.00 -0.11 0.00 0.00 43.42 43.96 1ss6 n LEU 92 CO -0.06 0.46 -0.44 -0.83 -1.51 0.00 0.00 177.39 175.01 1ss6 s GLY 93 N -2.09 1.07 -0.23 -0.72 0.00 -1.26 -5.00 107.32 99.10 1ss6 s GLY 93 Ca 0.27 -0.95 -0.02 0.00 0.00 0.00 0.00 44.72 44.02 1ss6 s GLY 93 CO 0.35 0.80 2.43 -1.14 0.00 0.00 0.00 173.10 175.55 1ss6 n SER 94 N 4.80 6.03 -3.49 1.64 3.41 -1.26 -4.74 113.62 120.01 1ss6 n SER 94 Ca -0.13 -2.86 -0.40 0.00 -0.26 0.00 0.00 58.87 55.22 1ss6 n SER 94 Cb 0.48 -1.17 -0.01 0.00 -0.26 0.00 0.00 64.21 63.25 1ss6 n SER 94 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ss6 n THR 95 N 1.06 4.72 -3.12 6.66 -1.04 -1.26 -4.74 114.28 116.56 1ss6 n THR 95 Ca 0.29 -3.68 -0.19 0.00 -2.04 0.00 0.00 64.05 58.44 1ss6 n THR 95 Cb 0.61 -2.32 0.02 0.00 -1.82 0.00 0.00 70.33 66.82 1ss6 n THR 95 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ss6 n ALA 96 N 2.87 -2.74 -2.37 2.41 0.00 -1.26 -4.89 120.51 114.54 1ss6 n ALA 96 Ca 0.64 0.77 -0.43 0.00 0.00 0.00 0.00 53.44 54.43 1ss6 n ALA 96 Cb 0.26 -3.02 -0.02 0.00 0.00 0.00 0.00 19.45 16.67 1ss6 n ALA 96 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1ss6 s PRO 97 N -2.68 4.08 1.32 0.00 0.02 -1.26 -4.82 135.00 131.66 1ss6 s PRO 97 Ca 0.27 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.84 1ss6 s PRO 97 Cb -0.05 -3.84 0.00 0.00 0.02 0.00 0.00 34.50 30.62 1ss6 s PRO 97 CO 0.81 -0.91 0.00 1.04 -0.33 0.00 0.00 177.00 177.60 1ss6 n GLN 98 N 6.99 -0.36 -0.24 5.54 6.02 -1.26 -4.40 117.38 129.66 1ss6 n GLN 98 Ca 0.15 0.24 0.07 0.00 -0.01 0.00 0.00 57.00 57.44 1ss6 n GLN 98 Cb 0.45 -0.44 0.17 0.00 1.02 0.00 0.00 30.24 31.45 1ss6 n GLN 98 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1ss6 n VAL 99 N -1.56 1.67 -2.77 5.09 3.14 -1.26 -4.84 118.33 117.80 1ss6 n VAL 99 Ca 0.00 -1.58 -0.42 0.00 -2.96 0.00 0.00 64.34 59.38 1ss6 n VAL 99 Cb 0.08 0.07 -0.03 0.00 -1.06 0.00 0.00 33.84 32.90 1ss6 n VAL 99 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1ss6 s LEU 100 N -2.06 4.03 -1.62 6.55 1.02 -1.26 -3.74 118.68 121.58 1ss6 s LEU 100 Ca 0.29 0.97 -0.15 0.00 0.02 0.00 0.00 54.13 55.26 1ss6 s LEU 100 Cb 0.22 -3.35 0.12 0.00 0.02 0.00 0.00 46.19 43.20 1ss6 s LEU 100 CO 0.09 -0.72 0.79 -1.54 0.02 0.00 0.00 176.35 174.99 1ss6 n SER 101 N 6.48 -3.31 -0.80 2.29 3.41 -1.26 -5.01 113.62 115.42 1ss6 n SER 101 Ca 0.09 -0.95 0.10 0.00 -0.26 0.00 0.00 58.87 57.84 1ss6 n SER 101 Cb 0.47 -3.09 0.08 0.00 -0.26 0.00 0.00 64.21 61.42 1ss6 n SER 101 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29