#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 6.58 0.32 1.61 0.01 -1.26 -4.92 113.70 116.04 1ss6 s SER 2 Ca 0.00 -1.69 0.05 0.00 1.31 0.00 0.00 55.95 55.62 1ss6 s SER 2 Cb 0.00 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 1ss6 s SER 2 CO 0.00 -1.43 0.21 -1.83 0.41 0.00 0.00 173.24 170.60 1ss6 s GLU 3 N 4.80 1.68 0.00 12.44 -1.05 -1.26 -5.03 118.70 130.28 1ss6 s GLU 3 Ca 0.48 -1.97 0.24 0.00 -0.15 0.00 0.00 54.97 53.56 1ss6 s GLU 3 Cb 0.01 0.08 0.22 0.00 -0.44 0.00 0.00 34.13 33.99 1ss6 s GLU 3 CO -0.06 -0.55 1.22 1.63 0.95 0.00 0.00 175.26 178.45 1ss6 n LYS 4 N -0.61 0.44 0.00 -4.83 4.01 -1.26 -5.00 118.16 110.91 1ss6 n LYS 4 Ca 0.03 -0.32 0.00 0.00 -0.51 0.00 0.00 58.31 57.51 1ss6 n LYS 4 Cb 0.64 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.66 1ss6 n LYS 4 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1ss6 n ARG 5 N -1.00 0.00 0.00 1.97 3.00 -1.26 -4.90 116.66 114.47 1ss6 n ARG 5 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 1ss6 n ARG 5 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.83 1ss6 n ARG 5 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1ss6 n GLN 6 N 0.00 0.00 0.00 -0.14 6.02 -1.26 -4.83 117.38 117.16 1ss6 n GLN 6 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1ss6 n GLN 6 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1ss6 n GLN 6 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1ss6 n HIS 7 N 0.00 0.00 -3.39 1.08 8.25 -1.26 -4.65 115.22 115.25 1ss6 n HIS 7 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1ss6 n HIS 7 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 1ss6 n HIS 7 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ss6 s SER 8 N -2.91 6.17 -0.26 0.41 0.01 -1.26 -4.91 113.70 110.95 1ss6 s SER 8 Ca 0.00 -0.45 -0.11 0.00 1.31 0.00 0.00 55.95 56.70 1ss6 s SER 8 Cb 0.00 -2.20 -0.12 0.00 0.21 0.00 0.00 66.02 63.92 1ss6 s SER 8 CO 0.00 -0.42 -0.32 -1.54 0.41 0.00 0.00 173.24 171.37 1ss6 n SER 9 N 5.42 1.84 -0.05 2.44 3.41 -1.26 -0.39 113.62 125.02 1ss6 n SER 9 Ca -0.09 0.27 -0.18 0.00 -0.26 0.00 0.00 58.87 58.61 1ss6 n SER 9 Cb 0.48 -0.72 -0.13 0.00 -0.26 0.00 0.00 64.21 63.59 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 -0.83 0.08 -3.33 4.33 4.20 -1.93 -3.37 115.11 114.26 1ss6 h GLN 10 Ca -0.64 -0.13 -0.16 0.00 0.06 0.00 0.00 58.65 57.78 1ss6 h GLN 10 Cb 1.60 0.05 -0.23 0.00 0.30 0.00 0.00 27.48 29.19 1ss6 h GLN 10 CO -0.37 1.06 -0.47 0.16 -0.67 0.00 0.00 178.83 178.55 1ss6 s ASP 11 N -6.62 -0.12 -0.23 1.46 -4.77 -1.26 -1.90 116.67 103.24 1ss6 s ASP 11 Ca -0.21 0.15 -0.04 0.00 -3.30 0.00 0.00 52.55 49.15 1ss6 s ASP 11 Cb 0.01 0.33 -0.00 0.00 -1.09 0.00 0.00 42.92 42.16 1ss6 s ASP 11 CO 0.69 -0.21 -0.03 0.54 0.70 0.00 0.00 175.17 176.85 1ss6 s VAL 12 N -0.57 3.37 -0.38 2.11 0.11 0.76 -4.69 120.40 121.11 1ss6 s VAL 12 Ca -0.07 -0.57 -0.04 0.00 -2.93 0.00 0.00 61.98 58.38 1ss6 s VAL 12 Cb -0.04 -2.57 0.08 0.00 -1.53 0.00 0.00 36.38 32.32 1ss6 s VAL 12 CO 0.01 0.37 0.15 -1.00 -3.33 0.00 0.00 175.10 171.30 1ss6 s HIS 13 N 1.46 3.43 -0.19 1.54 3.76 -1.26 -1.33 115.29 122.70 1ss6 s HIS 13 Ca 0.05 -2.03 -0.07 0.00 -0.15 0.00 0.00 55.06 52.86 1ss6 s HIS 13 Cb -0.15 -2.81 -0.04 0.00 1.11 0.00 0.00 32.58 30.70 1ss6 s HIS 13 CO -0.03 -0.89 0.06 0.14 -0.85 0.00 0.00 174.74 173.17 1ss6 s VAL 14 N 1.25 4.63 -0.10 -0.90 -7.23 -0.78 -4.92 120.40 112.34 1ss6 s VAL 14 Ca 0.03 -0.08 -0.23 0.00 -1.81 0.00 0.00 61.98 59.88 1ss6 s VAL 14 Cb -0.22 -3.10 -0.03 0.00 0.56 0.00 0.00 36.38 33.59 1ss6 s VAL 14 CO -0.02 0.44 0.72 0.54 -0.31 0.00 0.00 175.10 176.47 1ss6 s VAL 15 N 0.63 5.01 -0.25 1.32 0.11 -1.26 -0.23 120.40 125.74 1ss6 s VAL 15 Ca 0.03 1.45 -0.05 0.00 -2.93 0.00 0.00 61.98 60.48 1ss6 s VAL 15 Cb -0.13 -4.05 -0.00 0.00 -1.53 0.00 0.00 36.38 30.67 1ss6 s VAL 15 CO 0.02 0.19 0.00 -0.22 -3.33 0.00 0.00 175.10 171.76 1ss6 s LEU 16 N 1.21 3.24 -0.14 2.54 0.20 0.22 -2.27 118.68 123.68 1ss6 s LEU 16 Ca 0.37 -0.49 -0.06 0.00 0.69 0.00 0.00 54.13 54.64 1ss6 s LEU 16 Cb -0.17 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 1ss6 s LEU 16 CO 0.16 -0.08 0.06 -0.54 -0.29 0.00 0.00 176.35 175.67 1ss6 s LYS 17 N 1.49 3.54 -0.15 1.98 1.02 0.13 0.44 119.74 128.19 1ss6 s LYS 17 Ca 0.04 -0.31 -0.08 0.00 0.02 0.00 0.00 55.97 55.65 1ss6 s LYS 17 Cb -0.15 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 1ss6 s LYS 17 CO -0.01 0.54 0.14 -0.51 -0.92 0.00 0.00 175.35 174.59 1ss6 s LEU 18 N -0.38 4.33 0.00 3.17 2.01 0.48 -0.52 118.68 127.77 1ss6 s LEU 18 Ca 0.09 0.39 0.02 0.00 0.01 0.00 0.00 54.13 54.65 1ss6 s LEU 18 Cb -0.12 -2.09 -0.01 0.00 0.01 0.00 0.00 46.19 43.98 1ss6 s LEU 18 CO 0.02 0.33 0.08 0.79 1.01 0.00 0.00 176.35 178.57 1ss6 n TRP 19 N 2.53 0.27 0.16 0.29 7.02 0.20 0.09 117.44 128.00 1ss6 n TRP 19 Ca -0.18 -1.84 0.03 0.00 -1.02 0.00 0.00 57.50 54.49 1ss6 n TRP 19 Cb 0.54 -0.06 0.22 0.00 -2.42 0.00 0.00 31.31 29.59 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 0.02 -0.99 5.09 -1.77 -3.33 116.57 115.59 1ss6 h LYS 20 Ca -0.24 0.00 -0.37 0.00 0.09 0.00 0.00 60.65 60.13 1ss6 h LYS 20 Cb 0.87 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 33.15 1ss6 h LYS 20 CO 0.39 0.48 -2.05 0.43 -2.09 0.00 0.00 179.45 176.61 1ss6 n SER 21 N -3.50 1.96 0.00 7.07 7.64 -1.26 -4.99 113.62 120.54 1ss6 n SER 21 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1ss6 n SER 21 Cb 0.60 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1ss6 n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ss6 n GLY 22 N 1.61 3.08 3.09 0.23 0.00 -1.25 -1.52 105.19 110.43 1ss6 n GLY 22 Ca -0.43 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 0.50 -0.06 0.08 1.61 -0.12 0.68 0.60 117.98 121.27 1ss6 s PHE 23 Ca 0.00 0.12 0.06 0.00 -0.05 0.00 0.00 56.93 57.06 1ss6 s PHE 23 Cb 0.00 0.00 -0.03 0.00 -0.63 0.00 0.00 43.02 42.36 1ss6 s PHE 23 CO 0.00 -0.22 -0.17 -1.54 -0.05 0.00 0.00 175.22 173.24 1ss6 s SER 24 N -0.81 2.07 0.46 1.98 1.04 0.32 0.49 113.70 119.25 1ss6 s SER 24 Ca -0.09 -0.62 0.03 0.00 0.48 0.00 0.00 55.95 55.74 1ss6 s SER 24 Cb -0.05 -0.10 -0.01 0.00 0.10 0.00 0.00 66.02 65.96 1ss6 s SER 24 CO 0.01 0.00 0.10 0.18 0.98 0.00 0.00 173.24 174.52 1ss6 n LEU 25 N 1.29 0.00 0.18 2.42 4.32 0.20 0.22 117.00 125.63 1ss6 n LEU 25 Ca -0.20 -3.26 0.04 0.00 -0.02 0.00 0.00 56.01 52.57 1ss6 n LEU 25 Cb 0.54 0.84 0.33 0.00 -1.62 0.00 0.00 43.42 43.51 1ss6 n LEU 25 CO 0.22 -0.49 0.67 -0.78 -1.22 0.00 0.00 177.39 175.79 1ss6 h ASP 26 N 1.55 0.00 1.33 -1.43 3.58 -1.76 -3.04 116.42 116.65 1ss6 h ASP 26 Ca -0.36 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 56.97 1ss6 h ASP 26 Cb 1.28 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.31 1ss6 h ASP 26 CO 0.59 0.41 -0.69 -0.55 -2.88 0.00 0.00 179.24 176.12 1ss6 h ASN 27 N 0.00 0.00 -4.78 2.28 7.08 -1.95 -3.47 115.58 114.74 1ss6 h ASN 27 Ca -0.00 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 53.16 1ss6 h ASN 27 Cb 0.86 0.00 -0.20 0.00 -2.08 0.00 0.00 38.32 36.90 1ss6 h ASN 27 CO 0.05 0.53 0.15 -0.83 -2.08 0.00 0.00 177.43 175.26 1ss6 s GLY 28 N -4.53 -0.55 0.00 9.14 0.00 -1.15 -5.15 107.32 105.08 1ss6 s GLY 28 Ca 0.03 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.17 1ss6 s GLY 28 CO 0.76 1.09 0.00 1.18 0.00 0.00 0.00 173.10 176.13 1ss6 n GLU 29 N 1.31 0.13 -1.66 2.90 1.02 -1.26 0.60 120.64 123.69 1ss6 n GLU 29 Ca -0.18 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.53 1ss6 n GLU 29 Cb 0.57 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.95 1ss6 n GLU 29 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1ss6 n LEU 30 N 0.00 4.02 -4.15 -4.62 0.00 -1.26 -4.33 117.00 106.66 1ss6 n LEU 30 Ca 0.00 0.85 -0.33 0.00 0.00 0.00 0.00 56.01 56.53 1ss6 n LEU 30 Cb 0.00 -1.51 -0.15 0.00 0.00 0.00 0.00 43.42 41.76 1ss6 n LEU 30 CO 0.00 0.10 -0.45 -0.13 0.00 0.00 0.00 177.39 176.92 1ss6 s ARG 31 N 4.59 2.69 0.46 1.96 0.52 0.18 -4.87 118.95 124.48 1ss6 s ARG 31 Ca 0.91 -1.06 -0.24 0.00 -0.52 0.00 0.00 55.73 54.81 1ss6 s ARG 31 Cb -0.46 -2.88 -0.08 0.00 0.52 0.00 0.00 34.95 32.05 1ss6 s ARG 31 CO 0.43 -0.42 1.34 0.45 0.02 0.00 0.00 175.30 177.12 1ss6 n SER 32 N 4.59 2.81 0.10 0.23 2.88 -1.26 -0.23 113.62 122.74 1ss6 n SER 32 Ca -0.17 1.08 0.09 0.00 -1.33 0.00 0.00 58.87 58.55 1ss6 n SER 32 Cb 0.46 -1.55 0.43 0.00 -0.75 0.00 0.00 64.21 62.80 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 -0.42 0.56 0.07 0.66 4.01 -0.58 -2.79 117.16 118.67 1ss6 n TYR 33 Ca 0.07 0.24 -0.03 0.00 -0.16 0.00 0.00 57.90 58.02 1ss6 n TYR 33 Cb 0.41 -0.89 -0.07 0.00 -0.31 0.00 0.00 39.34 38.48 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 -6.61 -0.72 4.20 -1.89 -3.43 115.11 106.66 1ss6 h GLN 34 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1ss6 h GLN 34 Cb 0.20 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.01 1ss6 h GLN 34 CO 0.00 0.68 0.64 0.34 -0.67 0.00 0.00 178.83 179.82 1ss6 s ASP 35 N -6.43 6.93 0.09 1.46 -1.08 -1.12 -4.92 116.67 111.60 1ss6 s ASP 35 Ca 0.01 2.29 0.15 0.00 -0.52 0.00 0.00 52.55 54.48 1ss6 s ASP 35 Cb 0.09 -2.60 0.64 0.00 -1.46 0.00 0.00 42.92 39.59 1ss6 s ASP 35 CO 0.79 -0.53 1.45 -2.65 0.52 0.00 0.00 175.17 174.76 1ss6 n PRO 36 N 3.20 0.06 0.00 4.34 -0.02 -1.26 -1.73 135.00 139.58 1ss6 n PRO 36 Ca 0.08 0.37 -0.06 0.00 -2.02 0.00 0.00 63.50 61.87 1ss6 n PRO 36 Cb 0.43 -1.63 -0.12 0.00 -0.02 0.00 0.00 33.50 32.17 1ss6 n PRO 36 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ss6 h SER 37 N 0.00 0.00 1.45 2.55 0.87 -1.96 -3.27 113.55 113.19 1ss6 h SER 37 Ca 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 1ss6 h SER 37 Cb 0.21 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1ss6 h SER 37 CO 0.00 0.87 -0.44 0.78 -0.53 0.00 0.00 176.83 177.50 1ss6 h ASN 38 N 0.00 0.00 -0.10 6.23 2.35 -1.68 -2.99 115.58 119.40 1ss6 h ASN 38 Ca -0.23 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.55 1ss6 h ASN 38 Cb 1.86 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.23 1ss6 h ASN 38 CO 0.07 0.44 0.10 0.00 -1.65 0.00 0.00 177.43 176.40 1ss6 h ALA 39 N 1.56 1.74 -0.15 -0.83 0.00 -1.39 -0.86 119.26 119.33 1ss6 h ALA 39 Ca -0.00 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1ss6 h ALA 39 Cb 1.29 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1ss6 h ALA 39 CO 0.06 -0.16 -0.03 0.37 0.00 0.00 0.00 179.25 179.49 1ss6 h GLN 40 N 0.00 0.01 0.27 0.00 -0.00 -1.65 0.12 115.11 113.87 1ss6 h GLN 40 Ca 0.05 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.68 1ss6 h GLN 40 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.74 1ss6 h GLN 40 CO -0.00 0.01 -0.13 0.74 0.00 0.00 0.00 178.83 179.45 1ss6 h PHE 41 N 0.01 -0.33 -1.00 3.99 0.04 -1.36 -2.07 116.94 116.22 1ss6 h PHE 41 Ca 0.07 -0.01 0.16 0.00 2.80 0.00 0.00 57.97 60.99 1ss6 h PHE 41 Cb 0.10 0.11 -0.10 0.00 2.20 0.00 0.00 35.95 38.26 1ss6 h PHE 41 CO -0.17 -0.11 0.61 -0.07 -0.60 0.00 0.00 178.31 177.97 1ss6 h LEU 42 N -0.50 0.84 0.13 1.54 3.38 -1.18 0.23 115.31 119.74 1ss6 h LEU 42 Ca -0.04 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ss6 h LEU 42 Cb 0.37 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1ss6 h LEU 42 CO 0.06 0.37 -0.06 -0.08 0.09 0.00 0.00 178.44 178.81 1ss6 h GLU 43 N 0.86 -0.17 -0.41 1.13 4.57 -0.65 -0.47 114.58 119.44 1ss6 h GLU 43 Ca 0.54 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.73 1ss6 h GLU 43 Cb 0.71 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.32 1ss6 h GLU 43 CO -0.33 0.27 0.26 0.77 -1.18 0.00 0.00 179.01 178.79 1ss6 h SER 44 N -0.69 0.49 0.58 1.04 0.02 -0.85 -1.78 113.55 112.36 1ss6 h SER 44 Ca -0.02 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 1ss6 h SER 44 Cb 0.51 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1ss6 h SER 44 CO 0.03 0.38 -0.49 0.40 -1.14 0.00 0.00 176.83 176.01 1ss6 h ILE 45 N 0.55 1.27 -0.22 3.27 2.04 -0.62 0.38 117.51 124.17 1ss6 h ILE 45 Ca 0.15 -1.74 -0.00 0.00 1.00 0.00 0.00 64.86 64.27 1ss6 h ILE 45 Cb -0.02 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1ss6 h ILE 45 CO -0.03 0.48 0.14 -0.09 0.00 0.00 0.00 178.15 178.65 1ss6 h ARG 46 N 0.00 0.30 -0.00 2.37 2.43 -0.60 -2.85 114.38 116.04 1ss6 h ARG 46 Ca -0.00 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 58.98 1ss6 h ARG 46 Cb 0.92 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 1ss6 h ARG 46 CO 0.06 0.24 -0.74 0.00 -1.51 0.00 0.00 179.97 178.03 1ss6 h ARG 47 N 0.28 0.02 0.00 0.20 2.47 -0.87 -3.47 114.38 113.01 1ss6 h ARG 47 Ca 0.08 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1ss6 h ARG 47 Cb 0.02 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1ss6 h ARG 47 CO -0.02 0.75 0.00 0.41 0.56 0.00 0.00 179.97 181.67 1ss6 n GLY 48 N 0.58 0.96 3.92 0.04 0.00 0.53 -5.10 105.19 106.12 1ss6 n GLY 48 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.70 2.21 -0.25 1.61 2.02 0.10 -4.94 118.70 118.76 1ss6 s GLU 49 Ca 0.00 -0.16 -0.21 0.00 0.02 0.00 0.00 54.97 54.62 1ss6 s GLU 49 Cb 0.00 -2.13 -0.02 0.00 0.10 0.00 0.00 34.13 32.08 1ss6 s GLU 49 CO 0.00 -1.27 0.66 0.54 0.02 0.00 0.00 175.26 175.21 1ss6 s VAL 50 N -3.29 4.97 0.23 2.63 0.11 -1.26 -3.94 120.40 119.85 1ss6 s VAL 50 Ca 0.60 1.21 -0.32 0.00 -2.93 0.00 0.00 61.98 60.54 1ss6 s VAL 50 Cb -0.11 -3.96 -0.12 0.00 -1.53 0.00 0.00 36.38 30.66 1ss6 s VAL 50 CO 0.46 0.02 1.64 -2.65 -3.33 0.00 0.00 175.10 171.24 1ss6 n PRO 51 N 5.68 2.60 0.24 1.54 -0.02 -1.26 -4.89 135.00 138.89 1ss6 n PRO 51 Ca 0.00 0.93 0.10 0.00 -2.02 0.00 0.00 63.50 62.51 1ss6 n PRO 51 Cb 0.49 -2.74 0.66 0.00 -0.02 0.00 0.00 33.50 31.89 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 5.86 2.02 0.00 3.55 0.00 -1.96 -0.71 119.26 128.02 1ss6 h ALA 52 Ca -0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1ss6 h ALA 52 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ss6 h ALA 52 CO 0.88 -0.06 -0.08 0.93 0.00 0.00 0.00 179.25 180.93 1ss6 h GLU 53 N 0.00 0.00 0.16 0.00 4.39 -1.91 0.72 114.58 117.94 1ss6 h GLU 53 Ca 0.02 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.38 1ss6 h GLU 53 Cb 0.10 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1ss6 h GLU 53 CO -0.00 0.08 -1.79 -0.07 -1.16 0.00 0.00 179.01 176.07 1ss6 h LEU 54 N 0.00 0.52 -0.36 1.33 3.38 -1.51 -3.34 115.31 115.33 1ss6 h LEU 54 Ca -0.00 -0.93 -0.06 0.00 0.09 0.00 0.00 57.88 56.98 1ss6 h LEU 54 Cb 0.22 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1ss6 h LEU 54 CO 0.01 1.79 0.00 -0.09 0.09 0.00 0.00 178.44 180.25 1ss6 h ARG 55 N 0.03 0.63 -1.92 1.13 1.12 -1.22 -2.81 114.38 111.33 1ss6 h ARG 55 Ca -0.37 -0.20 -0.19 0.00 -1.11 0.00 0.00 59.98 58.12 1ss6 h ARG 55 Cb 2.03 -0.06 -0.07 0.00 -0.01 0.00 0.00 29.97 31.86 1ss6 h ARG 55 CO 0.13 0.74 -0.01 0.54 -3.11 0.00 0.00 179.97 178.25 1ss6 n ARG 56 N -4.50 1.68 0.11 0.20 5.12 0.25 -3.36 116.66 116.15 1ss6 n ARG 56 Ca -0.02 -0.93 0.00 0.00 -1.93 0.00 0.00 57.85 54.97 1ss6 n ARG 56 Cb 0.27 -1.61 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 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 1.58 0.00 -4.76 0.55 -0.00 -1.07 -4.91 117.00 108.39 1ss6 n LEU 57 Ca 0.27 0.37 -0.39 0.00 -0.00 0.00 0.00 56.01 56.25 1ss6 n LEU 57 Cb 0.67 0.26 -0.05 0.00 -0.00 0.00 0.00 43.42 44.30 1ss6 n LEU 57 CO 0.15 -0.73 0.75 0.00 -0.00 0.00 0.00 177.39 177.56 1ss6 s ALA 58 N -2.00 3.33 0.23 1.96 0.00 -1.16 -4.52 121.76 119.61 1ss6 s ALA 58 Ca 0.00 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 1ss6 s ALA 58 Cb 0.00 -3.29 0.33 0.00 0.00 0.00 0.00 23.12 20.16 1ss6 s ALA 58 CO 0.00 -0.09 1.61 1.25 0.00 0.00 0.00 175.76 178.53 1ss6 h HIS 59 N 3.59 -0.31 0.00 0.00 2.76 -0.88 -3.42 115.15 116.89 1ss6 h HIS 59 Ca -0.47 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 1ss6 h HIS 59 Cb 1.21 0.25 0.00 0.00 1.55 0.00 0.00 27.41 30.42 1ss6 h HIS 59 CO 0.59 -0.30 0.00 0.41 -1.30 0.00 0.00 177.93 177.33 1ss6 n GLY 60 N -1.47 -1.74 0.00 5.26 0.00 -1.26 -5.02 105.19 100.97 1ss6 n GLY 60 Ca 0.11 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 0.00 3.20 3.61 -0.02 0.00 -1.26 -5.06 105.19 105.66 1ss6 n GLY 61 Ca 0.00 -0.04 -0.51 0.00 0.00 0.00 0.00 46.02 45.46 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 1.54 -3.71 1.61 7.27 -0.80 -4.85 117.38 118.44 1ss6 n GLN 62 Ca 0.00 0.52 -0.29 0.00 0.07 0.00 0.00 57.00 57.31 1ss6 n GLN 62 Cb 0.00 -2.46 -0.16 0.00 2.41 0.00 0.00 30.24 30.03 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 5.16 0.62 0.22 1.69 0.11 -1.26 -0.17 120.40 126.77 1ss6 s VAL 63 Ca 1.00 -0.96 0.06 0.00 -2.93 0.00 0.00 61.98 59.15 1ss6 s VAL 63 Cb -0.83 -1.32 -0.05 0.00 -1.53 0.00 0.00 36.38 32.65 1ss6 s VAL 63 CO 0.54 -0.47 -0.07 0.21 -3.33 0.00 0.00 175.10 171.98 1ss6 s ASN 64 N 1.77 2.29 -0.03 3.54 3.04 -0.44 -4.96 114.94 120.15 1ss6 s ASN 64 Ca 0.05 -1.12 0.01 0.00 0.04 0.00 0.00 52.86 51.83 1ss6 s ASN 64 Cb -0.17 -0.08 0.02 0.00 -1.54 0.00 0.00 41.25 39.47 1ss6 s ASN 64 CO -0.19 -0.34 -0.04 -0.22 -3.04 0.00 0.00 177.10 173.27 1ss6 s LEU 65 N -3.33 1.44 0.34 3.21 0.20 -1.26 -1.87 118.68 117.42 1ss6 s LEU 65 Ca 0.25 -0.10 0.07 0.00 0.69 0.00 0.00 54.13 55.05 1ss6 s LEU 65 Cb 0.03 -0.36 -0.02 0.00 -0.43 0.00 0.00 46.19 45.41 1ss6 s LEU 65 CO 0.08 -0.04 0.37 -0.62 -0.29 0.00 0.00 176.35 175.85 1ss6 s ASP 66 N 0.70 5.54 0.01 3.68 -1.08 0.68 -4.94 116.67 121.26 1ss6 s ASP 66 Ca -0.08 -0.39 0.00 0.00 -0.52 0.00 0.00 52.55 51.56 1ss6 s ASP 66 Cb -0.12 -1.05 -0.01 0.00 -1.46 0.00 0.00 42.92 40.29 1ss6 s ASP 66 CO -0.00 -0.40 -0.02 -0.04 0.52 0.00 0.00 175.17 175.22 1ss6 s MET 67 N -4.07 0.19 0.08 4.34 -1.94 -1.25 0.69 119.30 117.34 1ss6 s MET 67 Ca 0.43 -0.28 0.04 0.00 -1.71 0.00 0.00 55.69 54.17 1ss6 s MET 67 Cb -0.07 -0.04 -0.03 0.00 2.01 0.00 0.00 34.83 36.69 1ss6 s MET 67 CO 0.28 0.00 -0.12 -1.21 -0.01 0.00 0.00 175.02 173.97 1ss6 s GLU 68 N -0.60 0.81 -0.30 2.03 2.02 0.17 -4.91 118.70 117.92 1ss6 s GLU 68 Ca -0.06 -1.04 0.03 0.00 0.02 0.00 0.00 54.97 53.92 1ss6 s GLU 68 Cb -0.04 -0.64 0.08 0.00 0.10 0.00 0.00 34.13 33.63 1ss6 s GLU 68 CO -0.00 0.12 0.00 0.34 0.02 0.00 0.00 175.26 175.74 1ss6 s ASP 69 N -2.08 4.45 -0.32 -0.19 -1.08 -1.26 -0.38 116.67 115.80 1ss6 s ASP 69 Ca 0.01 -1.76 0.15 0.00 -0.52 0.00 0.00 52.55 50.43 1ss6 s ASP 69 Cb -0.07 -1.44 0.47 0.00 -1.46 0.00 0.00 42.92 40.42 1ss6 s ASP 69 CO 0.01 -0.32 1.07 1.41 0.52 0.00 0.00 175.17 177.87 1ss6 n HIS 70 N 4.44 1.95 -1.70 -5.34 8.25 0.11 -4.93 115.22 117.99 1ss6 n HIS 70 Ca -0.04 -2.56 -0.40 0.00 -0.26 0.00 0.00 57.72 54.46 1ss6 n HIS 70 Cb 0.42 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.43 3.81 0.00 -0.41 1.74 -1.05 -1.78 116.66 118.54 1ss6 n ARG 71 Ca 0.21 -2.80 0.00 0.00 -0.77 0.00 0.00 57.85 54.50 1ss6 n ARG 71 Cb 0.81 -2.85 0.00 0.00 -1.02 0.00 0.00 32.46 29.40 1ss6 n ARG 71 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ss6 n ASP 72 N 3.50 0.00 0.10 0.55 2.03 -1.26 -4.39 116.55 117.08 1ss6 n ASP 72 Ca 0.65 0.00 0.12 0.00 0.52 0.00 0.00 54.79 56.08 1ss6 n ASP 72 Cb 0.28 0.00 0.24 0.00 -0.72 0.00 0.00 41.12 40.92 1ss6 n ASP 72 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1ss6 h GLU 73 N 0.00 0.00 -2.50 -0.67 5.08 -1.72 -3.47 114.58 111.30 1ss6 h GLU 73 Ca 0.00 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.62 1ss6 h GLU 73 Cb 0.00 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.12 1ss6 h GLU 73 CO 0.00 0.00 -0.82 -0.25 -1.00 0.00 0.00 179.01 176.94 1ss6 n ASP 74 N -2.33 -5.92 -4.61 1.42 8.00 -1.24 -4.78 116.55 107.09 1ss6 n ASP 74 Ca 0.04 0.93 -0.44 0.00 0.71 0.00 0.00 54.79 56.03 1ss6 n ASP 74 Cb 0.46 -3.51 -0.04 0.00 -0.02 0.00 0.00 41.12 38.01 1ss6 n ASP 74 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1ss6 n PHE 75 N -3.74 2.13 0.08 1.24 7.35 -1.26 -4.80 117.46 118.45 1ss6 n PHE 75 Ca -0.05 -0.15 0.08 0.00 -0.76 0.00 0.00 57.45 56.57 1ss6 n PHE 75 Cb 0.49 -2.73 0.17 0.00 0.35 0.00 0.00 39.48 37.77 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 6.81 0.64 0.00 -2.13 3.14 -1.26 -5.08 118.33 120.45 1ss6 n VAL 76 Ca 0.27 -0.82 0.00 0.00 -2.96 0.00 0.00 64.34 60.83 1ss6 n VAL 76 Cb 0.40 0.80 0.00 0.00 -1.06 0.00 0.00 33.84 33.98 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 0.99 0.00 0.00 1.45 5.02 -1.26 -4.90 118.16 119.46 1ss6 n LYS 77 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1ss6 n LYS 77 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 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 -1.10 0.00 0.00 1.97 -0.02 -1.26 -4.80 135.00 129.80 1ss6 n PRO 78 Ca 0.00 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1ss6 n PRO 78 Cb 0.00 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 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 -1.00 0.00 0.00 -0.52 4.76 -1.26 -4.62 118.16 115.52 1ss6 n LYS 79 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ss6 n LYS 79 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 0.00 0.82 4.36 0.72 0.00 -1.26 -4.79 105.19 105.04 1ss6 n GLY 80 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.28 0.00 -0.35 4.61 0.00 -1.26 -4.63 120.51 119.15 1ss6 n ALA 81 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1ss6 n ALA 81 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.75 1ss6 n ALA 81 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1ss6 h PHE 82 N 0.00 1.09 -2.20 0.00 0.04 -1.91 -3.42 116.94 110.55 1ss6 h PHE 82 Ca 0.00 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 1ss6 h PHE 82 Cb 0.00 -0.33 -0.23 0.00 2.20 0.00 0.00 35.95 37.59 1ss6 h PHE 82 CO 0.00 0.30 -0.07 -1.59 -0.60 0.00 0.00 178.31 176.35 1ss6 s LYS 83 N -5.88 0.62 -1.17 1.51 -2.85 -1.26 -5.01 119.74 105.70 1ss6 s LYS 83 Ca -0.11 1.08 -0.01 0.00 -1.00 0.00 0.00 55.97 55.92 1ss6 s LYS 83 Cb 0.24 0.11 -0.01 0.00 -2.06 0.00 0.00 37.83 36.11 1ss6 s LYS 83 CO 0.80 -0.15 0.98 0.00 0.10 0.00 0.00 175.35 177.09 1ss6 n ALA 84 N 4.17 -2.11 -1.96 0.59 0.00 -1.26 -4.50 120.51 115.44 1ss6 n ALA 84 Ca -0.20 -0.03 -0.39 0.00 0.00 0.00 0.00 53.44 52.82 1ss6 n ALA 84 Cb 0.58 -3.03 -0.01 0.00 0.00 0.00 0.00 19.45 16.98 1ss6 n ALA 84 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ss6 n PHE 85 N -3.97 2.52 -3.50 0.00 7.35 -1.26 -4.81 117.46 113.78 1ss6 n PHE 85 Ca -0.25 -2.75 -0.32 0.00 -0.76 0.00 0.00 57.45 53.37 1ss6 n PHE 85 Cb 0.66 -1.80 -0.07 0.00 0.35 0.00 0.00 39.48 38.63 1ss6 n PHE 85 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 1ss6 n THR 86 N 1.64 2.88 -0.02 -2.13 5.66 -1.26 -4.81 114.28 116.24 1ss6 n THR 86 Ca 0.61 -5.25 -0.20 0.00 -3.05 0.00 0.00 64.05 56.17 1ss6 n THR 86 Cb 0.27 -2.19 -0.13 0.00 -1.55 0.00 0.00 70.33 66.73 1ss6 n THR 86 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1ss6 h GLY 87 N 5.06 0.18 -7.42 1.09 0.00 -1.92 -3.41 103.07 96.64 1ss6 h GLY 87 Ca 0.18 -0.45 -0.68 0.00 0.00 0.00 0.00 47.33 46.38 1ss6 h GLY 87 CO 0.90 0.39 1.02 1.85 0.00 0.00 0.00 176.54 180.70 1ss6 s GLU 88 N -2.40 3.64 0.00 4.80 2.12 -1.26 -4.41 118.70 121.20 1ss6 s GLU 88 Ca -0.21 -1.71 0.00 0.00 0.36 0.00 0.00 54.97 53.41 1ss6 s GLU 88 Cb 0.03 -5.02 0.00 0.00 0.26 0.00 0.00 34.13 29.40 1ss6 s GLU 88 CO 0.72 -1.86 0.00 0.41 -0.54 0.00 0.00 175.26 173.99 1ss6 n GLY 89 N 5.64 -0.01 3.99 -1.50 0.00 -1.26 -5.17 105.19 106.87 1ss6 n GLY 89 Ca 0.27 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 2.92 -0.53 1.61 -1.52 -1.26 -4.99 119.66 115.89 1ss6 s GLN 90 Ca 0.00 -1.17 -0.28 0.00 -1.95 0.00 0.00 55.36 51.96 1ss6 s GLN 90 Cb 0.00 -2.75 0.00 0.00 -0.22 0.00 0.00 33.01 30.04 1ss6 s GLN 90 CO 0.00 -0.12 1.58 0.21 -0.25 0.00 0.00 175.29 176.71 1ss6 s LYS 91 N -4.26 3.15 -1.32 2.91 2.20 -1.26 -4.89 119.74 116.28 1ss6 s LYS 91 Ca 0.50 0.65 -0.07 0.00 -0.36 0.00 0.00 55.97 56.69 1ss6 s LYS 91 Cb -0.09 -4.20 0.13 0.00 -1.51 0.00 0.00 37.83 32.16 1ss6 s LYS 91 CO 0.32 -2.11 2.23 -0.11 -0.36 0.00 0.00 175.35 175.32 1ss6 n LEU 92 N 10.42 7.58 -4.09 5.43 -0.00 -1.26 -4.90 117.00 130.19 1ss6 n LEU 92 Ca 0.16 -4.78 -0.09 0.00 -0.00 0.00 0.00 56.01 51.30 1ss6 n LEU 92 Cb 0.49 -1.41 -0.09 0.00 -0.00 0.00 0.00 43.42 42.41 1ss6 n LEU 92 CO 0.71 1.82 -0.23 -0.83 -0.00 0.00 0.00 177.39 178.85 1ss6 s GLY 93 N 0.62 0.77 -1.19 -3.96 0.00 -1.26 -4.89 107.32 97.41 1ss6 s GLY 93 Ca 0.49 -1.27 -0.01 0.00 0.00 0.00 0.00 44.72 43.93 1ss6 s GLY 93 CO -0.06 -1.21 0.95 1.44 0.00 0.00 0.00 173.10 174.22 1ss6 n SER 94 N -0.10 -2.63 -4.33 1.64 7.64 -1.26 -4.85 113.62 109.73 1ss6 n SER 94 Ca -0.07 -0.66 -0.39 0.00 1.01 0.00 0.00 58.87 58.76 1ss6 n SER 94 Cb 0.63 -5.00 -0.02 0.00 -1.01 0.00 0.00 64.21 58.81 1ss6 n SER 94 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ss6 n THR 95 N -4.02 3.14 -3.84 0.44 -2.24 -1.26 -4.83 114.28 101.67 1ss6 n THR 95 Ca -0.26 -3.14 -0.30 0.00 -2.27 0.00 0.00 64.05 58.08 1ss6 n THR 95 Cb 0.66 -2.35 -0.15 0.00 -2.10 0.00 0.00 70.33 66.39 1ss6 n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ss6 s ALA 96 N 5.80 2.06 0.12 6.98 0.00 -1.26 -5.01 121.76 130.45 1ss6 s ALA 96 Ca 0.57 -2.03 -0.22 0.00 0.00 0.00 0.00 51.96 50.27 1ss6 s ALA 96 Cb 0.06 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 1ss6 s ALA 96 CO 0.07 -1.69 1.68 -1.35 0.00 0.00 0.00 175.76 174.46 1ss6 h PRO 97 N 7.85 -0.16 -3.20 0.00 0.11 -1.89 -3.43 132.00 131.29 1ss6 h PRO 97 Ca -0.10 0.01 0.39 0.00 0.11 0.00 0.00 66.00 66.41 1ss6 h PRO 97 Cb 1.01 0.04 -0.10 0.00 0.11 0.00 0.00 31.00 32.06 1ss6 h PRO 97 CO 0.49 -0.11 -0.56 1.04 -0.21 0.00 0.00 178.00 178.65 1ss6 n GLN 98 N -5.27 -2.90 0.01 1.05 1.13 -1.26 -4.55 117.38 105.59 1ss6 n GLN 98 Ca -0.04 1.94 -0.04 0.00 -1.94 0.00 0.00 57.00 56.92 1ss6 n GLN 98 Cb 0.19 -3.53 -0.11 0.00 0.11 0.00 0.00 30.24 26.90 1ss6 n GLN 98 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 1ss6 h VAL 99 N -1.33 0.72 -3.02 5.09 3.04 -2.07 -3.47 116.25 115.21 1ss6 h VAL 99 Ca 0.02 -2.40 -0.17 0.00 -1.01 0.00 0.00 66.70 63.14 1ss6 h VAL 99 Cb 1.34 2.26 -0.27 0.00 -2.01 0.00 0.00 31.29 32.61 1ss6 h VAL 99 CO 0.01 0.41 -0.42 -0.76 -1.01 0.00 0.00 177.57 175.81 1ss6 s LEU 100 N -5.98 0.68 0.00 3.16 1.43 -1.26 -5.13 118.68 111.58 1ss6 s LEU 100 Ca -0.03 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 1ss6 s LEU 100 Cb 0.08 0.91 0.00 0.00 0.03 0.00 0.00 46.19 47.21 1ss6 s LEU 100 CO 0.82 -0.13 0.00 -1.20 0.23 0.00 0.00 176.35 176.07 1ss6 n SER 101 N 3.48 -3.00 0.00 2.29 7.64 -1.26 -5.11 113.62 117.66 1ss6 n SER 101 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1ss6 n SER 101 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1ss6 n SER 101 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44