#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 1.04 -0.03 1.61 0.01 -1.26 -5.13 113.70 109.94 1ss6 s SER 2 Ca 0.00 -0.03 -0.02 0.00 1.31 0.00 0.00 55.95 57.21 1ss6 s SER 2 Cb 0.00 -0.29 0.01 0.00 0.21 0.00 0.00 66.02 65.95 1ss6 s SER 2 CO 0.00 -0.17 0.07 -0.70 0.41 0.00 0.00 173.24 172.85 1ss6 s GLU 3 N 1.64 0.06 -0.04 12.44 2.12 -1.26 -5.13 118.70 128.53 1ss6 s GLU 3 Ca -0.01 0.14 -0.25 0.00 0.36 0.00 0.00 54.97 55.21 1ss6 s GLU 3 Cb -0.13 -0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.20 1ss6 s GLU 3 CO -0.03 -0.05 0.78 -1.59 -0.54 0.00 0.00 175.26 173.83 1ss6 s LYS 4 N 0.33 4.48 0.00 4.30 -2.85 -1.26 -5.05 119.74 119.68 1ss6 s LYS 4 Ca -0.02 1.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.99 1ss6 s LYS 4 Cb -0.04 -3.45 0.00 0.00 -2.06 0.00 0.00 37.83 32.29 1ss6 s LYS 4 CO -0.01 0.04 0.00 -2.13 0.10 0.00 0.00 175.35 173.35 1ss6 n ARG 5 N 3.77 3.00 -0.11 1.78 3.00 -1.26 -4.96 116.66 121.87 1ss6 n ARG 5 Ca 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.76 1ss6 n ARG 5 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.95 1ss6 n ARG 5 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1ss6 h GLN 6 N 0.00 0.51 -4.35 -0.14 1.08 -2.09 -3.43 115.11 106.70 1ss6 h GLN 6 Ca 0.00 -0.11 -0.24 0.00 -1.45 0.00 0.00 58.65 56.86 1ss6 h GLN 6 Cb 0.00 -0.08 -0.21 0.00 -0.05 0.00 0.00 27.48 27.14 1ss6 h GLN 6 CO 0.00 0.54 -0.72 -1.01 -0.95 0.00 0.00 178.83 176.69 1ss6 s HIS 7 N -5.43 0.51 -0.26 2.96 3.76 -1.26 -5.06 115.29 110.52 1ss6 s HIS 7 Ca -0.13 -0.50 0.10 0.00 -0.15 0.00 0.00 55.06 54.37 1ss6 s HIS 7 Cb 0.09 -0.32 0.45 0.00 1.11 0.00 0.00 32.58 33.91 1ss6 s HIS 7 CO 0.74 -0.12 1.19 -1.13 -0.85 0.00 0.00 174.74 174.57 1ss6 n SER 8 N 1.54 3.76 -1.06 1.40 3.41 -1.26 -4.73 113.62 116.67 1ss6 n SER 8 Ca -0.23 -3.60 0.04 0.00 -0.26 0.00 0.00 58.87 54.83 1ss6 n SER 8 Cb 0.55 -0.40 0.08 0.00 -0.26 0.00 0.00 64.21 64.18 1ss6 n SER 8 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ss6 n SER 9 N -0.76 1.16 -1.90 4.04 3.41 -1.26 -4.28 113.62 114.02 1ss6 n SER 9 Ca 0.34 -2.59 -0.15 0.00 -0.26 0.00 0.00 58.87 56.21 1ss6 n SER 9 Cb 0.89 -0.36 0.17 0.00 -0.26 0.00 0.00 64.21 64.66 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 -0.11 2.35 -0.04 4.33 3.00 -1.26 -4.89 117.38 120.75 1ss6 n GLN 10 Ca 0.09 -2.39 0.00 0.00 -0.01 0.00 0.00 57.00 54.70 1ss6 n GLN 10 Cb 0.95 -1.96 0.00 0.00 0.00 0.00 0.00 30.24 29.23 1ss6 n GLN 10 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1ss6 n ASP 11 N -0.57 -0.07 -4.55 1.08 8.00 -1.26 -4.87 116.55 114.31 1ss6 n ASP 11 Ca 0.43 0.02 -0.30 0.00 0.71 0.00 0.00 54.79 55.64 1ss6 n ASP 11 Cb 1.35 -0.02 0.20 0.00 -0.02 0.00 0.00 41.12 42.63 1ss6 n ASP 11 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1ss6 n VAL 12 N 1.24 0.00 -3.95 2.53 0.24 0.96 -4.44 118.33 114.91 1ss6 n VAL 12 Ca 0.00 -0.21 -0.31 0.00 -2.04 0.00 0.00 64.34 61.78 1ss6 n VAL 12 Cb 0.00 -0.95 -0.15 0.00 -1.47 0.00 0.00 33.84 31.26 1ss6 n VAL 12 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1ss6 s HIS 13 N -2.51 2.63 -0.33 6.34 3.76 -1.26 0.54 115.29 124.47 1ss6 s HIS 13 Ca 0.66 -2.00 -0.10 0.00 -0.15 0.00 0.00 55.06 53.48 1ss6 s HIS 13 Cb -0.23 -1.82 -0.00 0.00 1.11 0.00 0.00 32.58 31.64 1ss6 s HIS 13 CO 0.62 -0.82 0.17 0.08 -0.85 0.00 0.00 174.74 173.94 1ss6 s VAL 14 N 1.31 4.64 -0.07 -0.90 1.01 -0.30 -4.92 120.40 121.18 1ss6 s VAL 14 Ca -0.03 -0.49 -0.24 0.00 0.00 0.00 0.00 61.98 61.22 1ss6 s VAL 14 Cb -0.19 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1ss6 s VAL 14 CO -0.08 0.00 0.73 0.54 0.00 0.00 0.00 175.10 176.30 1ss6 s VAL 15 N 1.61 5.02 -0.23 2.92 0.11 -1.26 -1.48 120.40 127.09 1ss6 s VAL 15 Ca 0.04 1.51 -0.08 0.00 -2.93 0.00 0.00 61.98 60.52 1ss6 s VAL 15 Cb -0.17 -4.07 -0.04 0.00 -1.53 0.00 0.00 36.38 30.57 1ss6 s VAL 15 CO 0.07 0.23 0.09 -0.22 -3.33 0.00 0.00 175.10 171.94 1ss6 s LEU 16 N 0.90 3.66 -0.15 2.54 0.20 0.27 -1.21 118.68 124.90 1ss6 s LEU 16 Ca 0.39 -0.08 -0.06 0.00 0.69 0.00 0.00 54.13 55.06 1ss6 s LEU 16 Cb -0.18 -1.97 -0.04 0.00 -0.43 0.00 0.00 46.19 43.57 1ss6 s LEU 16 CO 0.19 0.03 0.07 -0.54 -0.29 0.00 0.00 176.35 175.81 1ss6 s LYS 17 N 1.26 3.65 -0.37 1.98 3.01 0.26 0.67 119.74 130.20 1ss6 s LYS 17 Ca 0.05 -0.30 -0.14 0.00 -1.01 0.00 0.00 55.97 54.58 1ss6 s LYS 17 Cb -0.14 -3.13 -0.00 0.00 -1.01 0.00 0.00 37.83 33.54 1ss6 s LYS 17 CO 0.04 0.49 0.27 -1.17 0.51 0.00 0.00 175.35 175.50 1ss6 s LEU 18 N -0.25 4.79 0.00 3.17 2.96 -0.43 -1.20 118.68 127.72 1ss6 s LEU 18 Ca 0.08 -0.64 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 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 0.01 -0.34 0.00 0.79 -1.32 0.00 0.00 176.35 175.50 1ss6 n TRP 19 N 5.14 -1.88 -0.04 5.38 7.02 0.42 -0.40 117.44 133.08 1ss6 n TRP 19 Ca -0.12 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.23 1ss6 n TRP 19 Cb 0.48 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.29 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 0.19 -0.00 -0.99 5.09 -1.61 -3.38 116.57 115.87 1ss6 h LYS 20 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 60.65 60.63 1ss6 h LYS 20 Cb 0.00 0.01 0.00 0.00 0.10 0.00 0.00 32.23 32.34 1ss6 h LYS 20 CO 0.00 0.65 0.00 0.43 -2.09 0.00 0.00 179.45 178.44 1ss6 n SER 21 N -4.68 1.21 -0.57 7.07 7.64 -1.26 -5.04 113.62 117.99 1ss6 n SER 21 Ca -0.07 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.69 1ss6 n SER 21 Cb 0.33 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 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 0.11 1.43 3.10 0.23 0.00 -1.26 -1.10 105.19 107.70 1ss6 n GLY 22 Ca 0.01 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 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 -4.11 0.03 -0.06 1.61 -0.71 0.33 -0.44 117.98 114.63 1ss6 s PHE 23 Ca 0.00 -0.11 0.01 0.00 -1.04 0.00 0.00 56.93 55.79 1ss6 s PHE 23 Cb 0.00 -0.04 0.02 0.00 -1.21 0.00 0.00 43.02 41.79 1ss6 s PHE 23 CO 0.00 -0.27 -0.06 0.45 -1.34 0.00 0.00 175.22 173.99 1ss6 s SER 24 N -1.30 1.41 0.22 1.98 0.15 -0.34 -0.40 113.70 115.42 1ss6 s SER 24 Ca -0.14 -0.19 0.09 0.00 0.70 0.00 0.00 55.95 56.41 1ss6 s SER 24 Cb -0.07 -0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 63.60 1ss6 s SER 24 CO 0.01 -0.06 -0.02 -1.48 1.20 0.00 0.00 173.24 172.89 1ss6 s LEU 25 N 1.12 3.17 0.32 3.45 2.34 -1.26 0.92 118.68 128.75 1ss6 s LEU 25 Ca -0.07 -0.57 0.14 0.00 0.06 0.00 0.00 54.13 53.68 1ss6 s LEU 25 Cb -0.14 -1.76 0.75 0.00 -0.56 0.00 0.00 46.19 44.48 1ss6 s LEU 25 CO -0.01 0.05 1.33 0.47 -1.06 0.00 0.00 176.35 177.12 1ss6 n ASP 26 N -0.49 0.36 -0.24 1.48 8.00 -0.35 0.26 116.55 125.57 1ss6 n ASP 26 Ca -0.08 0.57 0.13 0.00 0.71 0.00 0.00 54.79 56.12 1ss6 n ASP 26 Cb 0.57 -0.53 0.46 0.00 -0.02 0.00 0.00 41.12 41.60 1ss6 n ASP 26 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1ss6 n ASN 27 N -2.07 0.92 0.00 -2.24 6.94 -1.26 -4.99 115.26 112.57 1ss6 n ASN 27 Ca -0.01 -0.88 0.00 0.00 -0.02 0.00 0.00 54.58 53.67 1ss6 n ASN 27 Cb 0.30 0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 1ss6 n ASN 27 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ss6 n GLY 28 N 1.30 2.57 1.73 4.83 0.00 0.14 -5.15 105.19 110.60 1ss6 n GLY 28 Ca 0.14 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 1.17 -1.77 1.61 1.02 -1.26 -4.27 120.64 117.13 1ss6 n GLU 29 Ca 0.00 -1.59 -0.35 0.00 -0.02 0.00 0.00 57.16 55.20 1ss6 n GLU 29 Cb 0.00 0.21 -0.03 0.00 -0.02 0.00 0.00 31.44 31.60 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 3.32 -0.17 -4.62 0.20 -1.26 -4.06 118.68 112.08 1ss6 s LEU 30 Ca 0.12 0.64 -0.15 0.00 0.69 0.00 0.00 54.13 55.43 1ss6 s LEU 30 Cb -0.01 -2.52 -0.04 0.00 -0.43 0.00 0.00 46.19 43.19 1ss6 s LEU 30 CO 0.08 -2.74 0.34 -0.13 -0.29 0.00 0.00 176.35 173.60 1ss6 s ARG 31 N 7.76 4.23 0.16 1.98 0.52 0.46 -4.79 118.95 129.29 1ss6 s ARG 31 Ca 0.84 0.14 -0.30 0.00 -0.52 0.00 0.00 55.73 55.89 1ss6 s ARG 31 Cb -0.14 -3.47 -0.08 0.00 0.52 0.00 0.00 34.95 31.78 1ss6 s ARG 31 CO 0.21 0.14 1.18 -1.12 0.02 0.00 0.00 175.30 175.73 1ss6 s SER 32 N 0.69 7.12 0.28 0.23 0.01 -1.26 -0.51 113.70 120.26 1ss6 s SER 32 Ca 0.18 2.17 0.00 0.00 1.31 0.00 0.00 55.95 59.61 1ss6 s SER 32 Cb -0.14 -2.60 0.65 0.00 0.21 0.00 0.00 66.02 64.14 1ss6 s SER 32 CO 0.06 -0.35 1.65 1.88 0.41 0.00 0.00 173.24 176.88 1ss6 h TYR 33 N 5.47 0.28 -0.35 2.43 0.05 -1.44 -1.63 116.97 121.77 1ss6 h TYR 33 Ca -0.44 0.05 0.02 0.00 0.05 0.00 0.00 58.73 58.41 1ss6 h TYR 33 Cb 1.21 0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.95 1ss6 h TYR 33 CO 0.63 -0.21 0.24 1.96 -1.05 0.00 0.00 178.16 179.73 1ss6 h GLN 34 N 0.19 0.39 -6.70 4.88 4.20 -1.91 -3.34 115.11 112.82 1ss6 h GLN 34 Ca 0.52 -0.02 -0.53 0.00 0.06 0.00 0.00 58.65 58.68 1ss6 h GLN 34 Cb 1.03 -0.09 0.06 0.00 0.30 0.00 0.00 27.48 28.78 1ss6 h GLN 34 CO -0.65 0.26 0.88 0.34 -0.67 0.00 0.00 178.83 178.98 1ss6 s ASP 35 N -6.69 6.52 0.56 1.46 -1.08 -0.61 -4.83 116.67 112.00 1ss6 s ASP 35 Ca -0.07 2.75 0.35 0.00 -0.52 0.00 0.00 52.55 55.06 1ss6 s ASP 35 Cb 0.18 -2.61 1.89 0.00 -1.46 0.00 0.00 42.92 40.92 1ss6 s ASP 35 CO 0.72 -0.84 2.06 -0.65 0.52 0.00 0.00 175.17 176.98 1ss6 h PRO 36 N 5.91 0.00 0.00 4.34 0.11 -1.89 0.93 132.00 141.40 1ss6 h PRO 36 Ca -0.45 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.52 1ss6 h PRO 36 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1ss6 h PRO 36 CO 0.86 0.00 -0.71 0.77 -0.21 0.00 0.00 178.00 178.71 1ss6 h SER 37 N 0.00 0.00 0.43 -2.05 0.02 -1.93 -3.30 113.55 106.72 1ss6 h SER 37 Ca 0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 1ss6 h SER 37 Cb 0.14 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1ss6 h SER 37 CO 0.00 0.71 -1.75 0.59 -1.14 0.00 0.00 176.83 175.24 1ss6 n ASN 38 N -3.33 0.57 -0.06 3.07 3.02 0.23 -3.58 115.26 115.17 1ss6 n ASN 38 Ca 0.01 0.25 0.18 0.00 -0.03 0.00 0.00 54.58 54.99 1ss6 n ASN 38 Cb 0.80 0.53 0.61 0.00 -0.61 0.00 0.00 39.78 41.10 1ss6 n ASN 38 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ss6 h ALA 39 N 1.32 2.33 0.30 5.41 0.00 -1.38 -1.23 119.26 126.01 1ss6 h ALA 39 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ss6 h ALA 39 Cb 1.74 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 1ss6 h ALA 39 CO 0.04 -0.49 -0.51 0.37 0.00 0.00 0.00 179.25 178.65 1ss6 h GLN 40 N 0.18 -0.84 -0.17 0.00 -0.00 -1.68 -0.90 115.11 111.71 1ss6 h GLN 40 Ca 0.29 0.06 0.00 0.00 -0.00 0.00 0.00 58.65 59.00 1ss6 h GLN 40 Cb 0.91 0.19 -0.01 0.00 0.00 0.00 0.00 27.48 28.58 1ss6 h GLN 40 CO -0.05 -0.56 0.11 0.74 0.00 0.00 0.00 178.83 179.07 1ss6 h PHE 41 N -0.87 0.21 -0.34 3.99 0.04 -1.51 0.22 116.94 118.68 1ss6 h PHE 41 Ca -0.03 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.82 1ss6 h PHE 41 Cb 0.81 -0.07 -0.08 0.00 2.20 0.00 0.00 35.95 38.81 1ss6 h PHE 41 CO -0.36 0.15 -0.21 -0.07 -0.60 0.00 0.00 178.31 177.22 1ss6 h LEU 42 N 0.22 -0.71 -0.10 1.54 3.38 -1.12 0.62 115.31 119.14 1ss6 h LEU 42 Ca 0.06 0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1ss6 h LEU 42 Cb -0.01 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1ss6 h LEU 42 CO -0.01 -0.24 -0.12 -0.08 0.09 0.00 0.00 178.44 178.07 1ss6 h GLU 43 N -0.17 0.25 -0.39 1.13 4.81 -0.99 -0.48 114.58 118.75 1ss6 h GLU 43 Ca 0.17 -0.14 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1ss6 h GLU 43 Cb 0.43 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.76 1ss6 h GLU 43 CO -0.44 0.70 -0.04 0.77 -0.73 0.00 0.00 179.01 179.27 1ss6 h SER 44 N -0.17 -0.24 1.51 1.04 0.02 -0.04 0.46 113.55 116.12 1ss6 h SER 44 Ca 0.01 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1ss6 h SER 44 Cb 0.66 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1ss6 h SER 44 CO 0.03 -0.08 -0.42 0.40 -1.14 0.00 0.00 176.83 175.62 1ss6 h ILE 45 N 0.06 0.00 -0.07 3.27 2.04 0.21 0.44 117.51 123.47 1ss6 h ILE 45 Ca 0.19 -0.93 -0.11 0.00 1.00 0.00 0.00 64.86 65.01 1ss6 h ILE 45 Cb 0.28 1.71 0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1ss6 h ILE 45 CO -0.36 0.00 -0.38 -0.09 0.00 0.00 0.00 178.15 177.32 1ss6 h ARG 46 N 0.00 0.38 -0.04 2.37 2.43 -0.53 -3.27 114.38 115.72 1ss6 h ARG 46 Ca 0.00 -0.32 -0.14 0.00 -0.81 0.00 0.00 59.98 58.71 1ss6 h ARG 46 Cb 0.97 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1ss6 h ARG 46 CO 0.00 0.96 -0.61 0.00 -1.51 0.00 0.00 179.97 178.82 1ss6 h ARG 47 N -0.10 0.15 0.00 0.20 2.47 -0.90 -3.47 114.38 112.72 1ss6 h ARG 47 Ca -0.03 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 1ss6 h ARG 47 Cb 1.04 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 1ss6 h ARG 47 CO 0.08 0.71 0.00 0.41 0.56 0.00 0.00 179.97 181.73 1ss6 n GLY 48 N 0.25 0.85 3.56 0.04 0.00 -0.65 -5.11 105.19 104.13 1ss6 n GLY 48 Ca -0.02 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 0.30 1.86 -0.23 1.61 2.02 0.15 -5.01 118.70 119.40 1ss6 s GLU 49 Ca 0.00 -2.03 -0.14 0.00 0.02 0.00 0.00 54.97 52.82 1ss6 s GLU 49 Cb 0.00 -1.45 -0.04 0.00 0.10 0.00 0.00 34.13 32.74 1ss6 s GLU 49 CO 0.00 -0.06 0.33 0.08 0.02 0.00 0.00 175.26 175.64 1ss6 s VAL 50 N -2.84 5.23 0.36 2.63 1.01 -1.26 -4.21 120.40 121.31 1ss6 s VAL 50 Ca 0.35 0.53 -0.27 0.00 0.00 0.00 0.00 61.98 62.59 1ss6 s VAL 50 Cb 0.09 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 1ss6 s VAL 50 CO 0.17 0.24 1.21 -2.84 0.00 0.00 0.00 175.10 173.89 1ss6 s PRO 51 N 1.49 4.22 0.53 2.72 0.02 -1.26 -4.84 135.00 137.89 1ss6 s PRO 51 Ca 0.15 1.98 0.22 0.00 0.02 0.00 0.00 61.00 63.36 1ss6 s PRO 51 Cb -0.15 -2.88 1.45 0.00 0.02 0.00 0.00 34.50 32.94 1ss6 s PRO 51 CO 0.08 -0.22 2.15 0.00 -0.33 0.00 0.00 177.00 178.68 1ss6 h ALA 52 N 3.04 1.70 -0.79 -1.55 0.00 -1.97 -0.78 119.26 118.90 1ss6 h ALA 52 Ca -0.49 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 54.52 1ss6 h ALA 52 Cb 1.23 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1ss6 h ALA 52 CO 0.64 0.06 0.37 0.93 0.00 0.00 0.00 179.25 181.25 1ss6 h GLU 53 N 0.00 0.55 0.09 0.00 4.39 -1.91 0.30 114.58 117.99 1ss6 h GLU 53 Ca -0.00 -0.03 -0.29 0.00 0.34 0.00 0.00 59.36 59.38 1ss6 h GLU 53 Cb 0.09 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1ss6 h GLU 53 CO 0.01 0.36 -1.53 -0.07 -1.16 0.00 0.00 179.01 176.62 1ss6 h LEU 54 N 0.56 0.30 -0.74 1.33 3.38 -1.61 -3.38 115.31 115.15 1ss6 h LEU 54 Ca 0.42 -0.80 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 1ss6 h LEU 54 Cb 0.58 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1ss6 h LEU 54 CO -0.35 1.65 0.27 -0.09 0.09 0.00 0.00 178.44 180.01 1ss6 h ARG 55 N -0.37 1.13 -1.86 1.13 1.12 -1.07 0.44 114.38 114.90 1ss6 h ARG 55 Ca -0.35 -0.22 -0.20 0.00 -1.11 0.00 0.00 59.98 58.10 1ss6 h ARG 55 Cb 1.72 -0.17 -0.08 0.00 -0.01 0.00 0.00 29.97 31.43 1ss6 h ARG 55 CO 0.00 0.94 0.10 0.54 -3.11 0.00 0.00 179.97 178.44 1ss6 n ARG 56 N -4.30 1.62 0.00 0.20 5.12 0.10 -3.47 116.66 115.93 1ss6 n ARG 56 Ca 0.06 -0.97 0.00 0.00 -1.93 0.00 0.00 57.85 55.01 1ss6 n ARG 56 Cb 0.20 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 29.98 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 1.27 0.00 -4.77 0.55 7.94 -0.61 -4.93 117.00 116.45 1ss6 n LEU 57 Ca 0.24 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.78 1ss6 n LEU 57 Cb 0.61 0.32 0.00 0.00 0.53 0.00 0.00 43.42 44.89 1ss6 n LEU 57 CO 0.18 -0.47 0.82 0.00 -1.11 0.00 0.00 177.39 176.80 1ss6 s ALA 58 N -1.94 2.81 -0.23 1.96 0.00 0.15 -5.02 121.76 119.49 1ss6 s ALA 58 Ca 0.00 0.91 -0.10 0.00 0.00 0.00 0.00 51.96 52.77 1ss6 s ALA 58 Cb 0.00 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 1ss6 s ALA 58 CO 0.00 -0.77 0.15 -1.01 0.00 0.00 0.00 175.76 174.13 1ss6 s HIS 59 N -1.64 3.33 -0.49 0.00 3.76 -1.26 -4.40 115.29 114.59 1ss6 s HIS 59 Ca 0.69 0.23 0.00 0.00 -0.15 0.00 0.00 55.06 55.83 1ss6 s HIS 59 Cb -0.27 -2.25 0.00 0.00 1.11 0.00 0.00 32.58 31.17 1ss6 s HIS 59 CO 0.32 0.10 0.00 0.41 -0.85 0.00 0.00 174.74 174.72 1ss6 n GLY 60 N 4.14 0.69 0.87 -2.22 0.00 -1.26 -1.87 105.19 105.55 1ss6 n GLY 60 Ca -0.15 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.58 0.78 2.91 -0.02 0.00 -1.26 -4.94 105.19 101.08 1ss6 n GLY 61 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.35 1.02 -3.69 1.61 7.27 -0.78 -4.71 117.38 115.75 1ss6 n GLN 62 Ca 0.00 -1.11 -0.14 0.00 0.07 0.00 0.00 57.00 55.82 1ss6 n GLN 62 Cb 0.00 -2.35 -0.14 0.00 2.41 0.00 0.00 30.24 30.16 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 4.59 -0.23 0.13 1.69 0.11 -1.26 -0.03 120.40 125.40 1ss6 s VAL 63 Ca 0.30 0.26 -0.01 0.00 -2.93 0.00 0.00 61.98 59.61 1ss6 s VAL 63 Cb 0.07 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.53 1ss6 s VAL 63 CO 0.04 0.11 0.05 0.21 -3.33 0.00 0.00 175.10 172.18 1ss6 s ASN 64 N 1.94 0.36 -0.02 3.54 3.04 0.19 -4.78 114.94 119.21 1ss6 s ASN 64 Ca -0.02 -1.20 0.02 0.00 0.04 0.00 0.00 52.86 51.70 1ss6 s ASN 64 Cb -0.12 0.28 0.00 0.00 -1.54 0.00 0.00 41.25 39.88 1ss6 s ASN 64 CO -0.07 -0.72 -0.09 -0.22 -3.04 0.00 0.00 177.10 172.97 1ss6 s LEU 65 N -3.05 1.83 0.24 3.21 0.20 -1.26 -1.15 118.68 118.70 1ss6 s LEU 65 Ca 0.24 -0.17 0.07 0.00 0.69 0.00 0.00 54.13 54.96 1ss6 s LEU 65 Cb 0.07 -0.51 -0.04 0.00 -0.43 0.00 0.00 46.19 45.29 1ss6 s LEU 65 CO 0.02 0.07 0.14 -1.81 -0.29 0.00 0.00 176.35 174.48 1ss6 s ASP 66 N 0.12 5.31 -0.03 3.68 1.01 -0.55 -4.91 116.67 121.30 1ss6 s ASP 66 Ca -0.02 -0.31 0.02 0.00 0.71 0.00 0.00 52.55 52.95 1ss6 s ASP 66 Cb -0.07 -1.29 0.01 0.00 1.01 0.00 0.00 42.92 42.58 1ss6 s ASP 66 CO 0.00 -0.01 -0.06 -0.32 0.21 0.00 0.00 175.17 175.00 1ss6 s MET 67 N -3.65 0.83 0.33 8.23 1.75 -1.26 0.96 119.30 126.49 1ss6 s MET 67 Ca 0.32 -0.17 0.09 0.00 -1.25 0.00 0.00 55.69 54.68 1ss6 s MET 67 Cb -0.08 -0.81 -0.05 0.00 2.84 0.00 0.00 34.83 36.74 1ss6 s MET 67 CO 0.23 -0.01 0.08 -1.21 -0.65 0.00 0.00 175.02 173.46 1ss6 s GLU 68 N 0.60 2.27 -0.22 4.11 2.02 0.21 -4.93 118.70 122.76 1ss6 s GLU 68 Ca -0.08 -1.59 0.00 0.00 0.02 0.00 0.00 54.97 53.32 1ss6 s GLU 68 Cb -0.12 -2.10 0.03 0.00 0.10 0.00 0.00 34.13 32.04 1ss6 s GLU 68 CO 0.00 0.16 -0.12 0.34 0.02 0.00 0.00 175.26 175.66 1ss6 s ASP 69 N -3.78 3.88 -0.18 -0.19 -1.08 -1.26 -1.32 116.67 112.75 1ss6 s ASP 69 Ca 0.36 -0.86 0.23 0.00 -0.52 0.00 0.00 52.55 51.75 1ss6 s ASP 69 Cb -0.02 -1.58 0.47 0.00 -1.46 0.00 0.00 42.92 40.33 1ss6 s ASP 69 CO 0.21 -0.08 1.15 1.41 0.52 0.00 0.00 175.17 178.38 1ss6 n HIS 70 N 4.61 0.68 -0.09 -5.34 8.25 0.46 -4.51 115.22 119.28 1ss6 n HIS 70 Ca -0.18 -1.59 0.05 0.00 -0.26 0.00 0.00 57.72 55.74 1ss6 n HIS 70 Cb 0.47 -0.09 0.39 0.00 1.12 0.00 0.00 29.99 31.88 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 1.98 0.64 -0.63 -0.41 3.08 -1.30 -0.13 114.38 117.61 1ss6 h ARG 71 Ca -0.19 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1ss6 h ARG 71 Cb 1.46 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1ss6 h ARG 71 CO 0.12 0.42 0.00 -0.40 -1.07 0.00 0.00 179.97 179.05 1ss6 n ASP 72 N -4.47 5.13 -0.09 7.04 5.75 -1.26 -1.90 116.55 126.75 1ss6 n ASP 72 Ca 0.07 -2.65 -0.08 0.00 -0.01 0.00 0.00 54.79 52.12 1ss6 n ASP 72 Cb 0.14 -0.63 -0.16 0.00 -1.03 0.00 0.00 41.12 39.45 1ss6 n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ss6 n GLU 73 N 0.89 0.78 -0.91 0.11 1.02 -0.07 -5.09 120.64 117.38 1ss6 n GLU 73 Ca 0.26 -0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.50 1ss6 n GLU 73 Cb 1.02 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.90 1ss6 n GLU 73 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ss6 n ASP 74 N -2.68 -5.41 -4.67 1.62 -0.08 -1.16 -4.84 116.55 99.33 1ss6 n ASP 74 Ca -0.29 0.48 -0.43 0.00 -1.51 0.00 0.00 54.79 53.04 1ss6 n ASP 74 Cb 1.09 -2.82 -0.02 0.00 2.34 0.00 0.00 41.12 41.70 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 -2.19 2.69 -0.33 -0.67 5.36 -1.26 -4.84 117.98 116.74 1ss6 s PHE 75 Ca 0.00 0.80 0.03 0.00 -0.96 0.00 0.00 56.93 56.80 1ss6 s PHE 75 Cb 0.00 -3.63 0.18 0.00 -0.34 0.00 0.00 43.02 39.23 1ss6 s PHE 75 CO 0.00 -2.32 1.19 1.55 -1.46 0.00 0.00 175.22 174.18 1ss6 n VAL 76 N 5.15 0.00 0.08 3.12 3.14 -1.26 -5.03 118.33 123.53 1ss6 n VAL 76 Ca 0.14 -0.74 0.00 0.00 -2.96 0.00 0.00 64.34 60.78 1ss6 n VAL 76 Cb 0.44 0.79 0.00 0.00 -1.06 0.00 0.00 33.84 34.02 1ss6 n VAL 76 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1ss6 n LYS 77 N -0.18 0.00 -0.19 1.45 3.00 -1.26 -4.31 118.16 116.67 1ss6 n LYS 77 Ca -0.18 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.04 1ss6 n LYS 77 Cb 0.70 -0.16 0.01 0.00 0.00 0.00 0.00 35.03 35.58 1ss6 n LYS 77 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1ss6 h PRO 78 N 0.00 0.95 -4.99 1.64 0.11 -1.91 -2.60 132.00 125.21 1ss6 h PRO 78 Ca 0.00 -0.30 -0.34 0.00 0.11 0.00 0.00 66.00 65.47 1ss6 h PRO 78 Cb 0.11 -0.09 -0.20 0.00 0.11 0.00 0.00 31.00 30.93 1ss6 h PRO 78 CO 0.00 0.96 -0.75 -1.59 -0.21 0.00 0.00 178.00 176.41 1ss6 s LYS 79 N -5.04 0.73 0.00 1.05 -2.85 -1.26 -4.80 119.74 107.57 1ss6 s LYS 79 Ca -0.12 -0.95 0.00 0.00 -1.00 0.00 0.00 55.97 53.90 1ss6 s LYS 79 Cb 0.12 -0.57 0.00 0.00 -2.06 0.00 0.00 37.83 35.32 1ss6 s LYS 79 CO 0.84 0.11 0.00 0.41 0.10 0.00 0.00 175.35 176.81 1ss6 n GLY 80 N 1.14 2.47 3.29 0.59 0.00 -1.26 -4.46 105.19 106.95 1ss6 n GLY 80 Ca -0.20 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.95 1.75 -0.27 4.61 0.00 -1.26 -5.01 121.76 120.62 1ss6 s ALA 81 Ca 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 51.96 50.10 1ss6 s ALA 81 Cb 0.00 1.28 0.02 0.00 0.00 0.00 0.00 23.12 24.42 1ss6 s ALA 81 CO 0.00 -0.56 0.01 -0.06 0.00 0.00 0.00 175.76 175.15 1ss6 s PHE 82 N -3.70 3.11 -0.71 0.00 0.08 -1.26 -4.45 117.98 111.06 1ss6 s PHE 82 Ca 0.38 -1.26 -0.26 0.00 0.12 0.00 0.00 56.93 55.90 1ss6 s PHE 82 Cb 0.05 -2.16 -0.03 0.00 -0.57 0.00 0.00 43.02 40.32 1ss6 s PHE 82 CO 0.19 -0.65 1.85 -1.59 -0.10 0.00 0.00 175.22 174.92 1ss6 s LYS 83 N 1.41 2.65 0.00 0.44 0.00 -0.98 -4.77 119.74 118.49 1ss6 s LYS 83 Ca 0.01 0.28 0.18 0.00 0.00 0.00 0.00 55.97 56.45 1ss6 s LYS 83 Cb -0.17 -4.59 0.56 0.00 0.00 0.00 0.00 37.83 33.63 1ss6 s LYS 83 CO -0.01 -2.88 1.44 0.00 0.00 0.00 0.00 175.35 173.89 1ss6 n ALA 84 N 12.89 2.47 -2.28 0.59 0.00 -1.26 -5.00 120.51 127.92 1ss6 n ALA 84 Ca 0.26 -0.69 -0.03 0.00 0.00 0.00 0.00 53.44 52.97 1ss6 n ALA 84 Cb 0.50 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 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 0.69 -3.63 -3.75 0.00 7.35 -1.26 -5.07 117.46 111.79 1ss6 n PHE 85 Ca 0.16 2.13 -0.15 0.00 -0.76 0.00 0.00 57.45 58.83 1ss6 n PHE 85 Cb 0.39 -3.43 -0.16 0.00 0.35 0.00 0.00 39.48 36.63 1ss6 n PHE 85 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 1ss6 s THR 86 N -0.51 -0.07 -0.17 -2.13 -1.32 -1.26 -5.04 115.64 105.14 1ss6 s THR 86 Ca -0.17 0.23 -0.09 0.00 -1.21 0.00 0.00 61.69 60.45 1ss6 s THR 86 Cb 0.01 -0.15 -0.22 0.00 -1.51 0.00 0.00 72.50 70.63 1ss6 s THR 86 CO 0.47 0.09 0.18 0.61 -2.21 0.00 0.00 174.62 173.77 1ss6 n GLY 87 N 4.34 -0.58 3.81 6.08 0.00 -1.26 -4.80 105.19 112.78 1ss6 n GLY 87 Ca -0.24 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 1ss6 n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ss6 s GLU 88 N -2.51 4.06 0.00 1.61 2.12 -1.26 -4.03 118.70 118.69 1ss6 s GLU 88 Ca -0.27 0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.52 1ss6 s GLU 88 Cb 0.07 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 31.19 1ss6 s GLU 88 CO 0.68 0.56 0.00 0.41 -0.54 0.00 0.00 175.26 176.38 1ss6 n GLY 89 N 2.14 1.81 0.00 -1.50 0.00 -1.26 -5.00 105.19 101.38 1ss6 n GLY 89 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.76 0.00 0.00 1.61 6.02 -1.26 -5.04 117.38 117.95 1ss6 n GLN 90 Ca 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1ss6 n GLN 90 Cb 0.00 -1.00 0.00 0.00 1.02 0.00 0.00 30.24 30.26 1ss6 n GLN 90 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1ss6 n LYS 91 N -1.33 0.00 -2.81 -1.09 3.00 -1.26 -4.99 118.16 109.68 1ss6 n LYS 91 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 1ss6 n LYS 91 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.04 1ss6 n LYS 91 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1ss6 n LEU 92 N 0.00 -7.97 0.00 3.14 -0.00 -1.26 -4.80 117.00 106.11 1ss6 n LEU 92 Ca 0.00 0.84 0.00 0.00 -0.00 0.00 0.00 56.01 56.85 1ss6 n LEU 92 Cb 0.00 -3.39 0.00 0.00 -0.00 0.00 0.00 43.42 40.03 1ss6 n LEU 92 CO 0.00 -2.65 0.00 0.61 -0.00 0.00 0.00 177.39 175.35 1ss6 n GLY 93 N 0.04 0.98 3.54 -3.96 0.00 -1.25 -5.11 105.19 99.43 1ss6 n GLY 93 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1ss6 n GLY 93 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ss6 s SER 94 N -1.70 5.60 -0.32 1.61 0.15 -1.26 -4.75 113.70 113.03 1ss6 s SER 94 Ca 0.00 -0.07 -0.01 0.00 0.70 0.00 0.00 55.95 56.56 1ss6 s SER 94 Cb 0.00 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 1ss6 s SER 94 CO 0.00 -0.01 0.05 0.41 1.20 0.00 0.00 173.24 174.90 1ss6 n THR 95 N 4.77-11.85 -1.63 6.45 -1.04 -1.26 -4.82 114.28 104.89 1ss6 n THR 95 Ca -0.15 1.75 -0.46 0.00 -2.04 0.00 0.00 64.05 63.14 1ss6 n THR 95 Cb 0.52 -6.94 -0.04 0.00 -1.82 0.00 0.00 70.33 62.05 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 0.60 1.27 -2.13 2.41 0.00 -1.26 -4.84 120.51 116.57 1ss6 n ALA 96 Ca 0.01 0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 1ss6 n ALA 96 Cb 0.04 -2.65 -0.05 0.00 0.00 0.00 0.00 19.45 16.79 1ss6 n ALA 96 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ss6 s PRO 97 N 4.97 2.67 0.36 0.00 0.04 -1.18 -4.84 135.00 137.02 1ss6 s PRO 97 Ca 0.96 -1.19 0.00 0.00 0.04 0.00 0.00 61.00 60.81 1ss6 s PRO 97 Cb -0.57 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 28.71 1ss6 s PRO 97 CO 0.45 -3.74 0.00 0.00 0.04 0.00 0.00 177.00 173.75 1ss6 n GLN 98 N 8.34 0.00 0.19 4.56 10.64 -1.26 -0.35 117.38 139.50 1ss6 n GLN 98 Ca 0.45 0.00 0.06 0.00 -1.83 0.00 0.00 57.00 55.67 1ss6 n GLN 98 Cb 0.47 0.00 0.32 0.00 -0.86 0.00 0.00 30.24 30.17 1ss6 n GLN 98 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.06 174.99 1ss6 h VAL 99 N 0.00 0.87 -0.81 -0.39 3.04 -2.03 -3.45 116.25 113.49 1ss6 h VAL 99 Ca 0.00 -1.54 -0.53 0.00 -1.01 0.00 0.00 66.70 63.62 1ss6 h VAL 99 Cb 0.00 1.95 -0.02 0.00 -2.01 0.00 0.00 31.29 31.21 1ss6 h VAL 99 CO 0.00 0.37 -0.24 -0.76 -1.01 0.00 0.00 177.57 175.92 1ss6 s LEU 100 N -7.03 2.97 -0.02 3.16 1.43 0.53 -5.05 118.68 114.67 1ss6 s LEU 100 Ca 0.00 -1.02 0.20 0.00 -1.03 0.00 0.00 54.13 52.28 1ss6 s LEU 100 Cb 0.11 -1.51 0.34 0.00 0.03 0.00 0.00 46.19 45.16 1ss6 s LEU 100 CO 0.69 -1.11 1.14 -0.24 0.23 0.00 0.00 176.35 177.06 1ss6 n SER 101 N -1.89 0.87 0.00 2.29 2.88 -1.26 -3.08 113.62 113.42 1ss6 n SER 101 Ca 0.05 -2.14 0.00 0.00 -1.33 0.00 0.00 58.87 55.45 1ss6 n SER 101 Cb 0.63 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1ss6 n SER 101 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88