#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss6 s SER 2 N 0.00 0.11 -0.01 1.61 0.15 -1.26 -5.02 113.70 109.28 1ss6 s SER 2 Ca 0.00 -0.31 0.21 0.00 0.70 0.00 0.00 55.95 56.55 1ss6 s SER 2 Cb 0.00 0.16 -0.26 0.00 -1.71 0.00 0.00 66.02 64.20 1ss6 s SER 2 CO 0.00 -0.31 0.76 -0.62 1.20 0.00 0.00 173.24 174.27 1ss6 n GLU 3 N 1.63 0.23 -3.16 5.44 1.02 -1.26 -5.03 120.64 119.51 1ss6 n GLU 3 Ca -0.23 -0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 56.75 1ss6 n GLU 3 Cb 0.56 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.48 1ss6 n GLU 3 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1ss6 n LYS 4 N -1.74 -1.70 -3.14 3.49 4.81 -1.26 -5.01 118.16 113.61 1ss6 n LYS 4 Ca 0.01 1.54 -0.18 0.00 -0.87 0.00 0.00 58.31 58.82 1ss6 n LYS 4 Cb 0.40 -4.84 0.00 0.00 0.02 0.00 0.00 35.03 30.61 1ss6 n LYS 4 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1ss6 s ARG 5 N -3.16 2.78 0.10 1.64 1.81 -1.26 -5.05 118.95 115.80 1ss6 s ARG 5 Ca 0.10 -1.29 0.00 0.00 -1.72 0.00 0.00 55.73 52.82 1ss6 s ARG 5 Cb -0.02 -2.69 0.00 0.00 -0.45 0.00 0.00 34.95 31.79 1ss6 s ARG 5 CO 0.79 -0.24 0.00 1.04 -0.68 0.00 0.00 175.30 176.21 1ss6 n GLN 6 N -1.78 0.00 0.00 3.54 1.13 -1.26 -5.04 117.38 113.97 1ss6 n GLN 6 Ca 0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1ss6 n GLN 6 Cb 0.60 -0.22 0.00 0.00 0.11 0.00 0.00 30.24 30.73 1ss6 n GLN 6 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1ss6 n HIS 7 N -3.12 0.00 -0.75 1.08 8.25 -1.26 -5.05 115.22 114.38 1ss6 n HIS 7 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ss6 n HIS 7 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.30 -1.62 -2.80 0.41 7.64 -1.23 -4.68 113.62 110.04 1ss6 n SER 8 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ss6 n SER 8 Cb 0.00 -2.08 0.05 0.00 -1.01 0.00 0.00 64.21 61.17 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 -0.23 1.51 0.08 6.43 7.64 -0.75 -3.70 113.62 124.60 1ss6 n SER 9 Ca 0.00 -2.02 0.03 0.00 1.01 0.00 0.00 58.87 57.89 1ss6 n SER 9 Cb 0.11 -0.46 -0.03 0.00 -1.01 0.00 0.00 64.21 62.82 1ss6 n SER 9 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1ss6 h GLN 10 N 2.54 0.00 -3.05 1.43 4.20 -1.26 -3.49 115.11 115.48 1ss6 h GLN 10 Ca -0.15 0.00 0.29 0.00 0.06 0.00 0.00 58.65 58.85 1ss6 h GLN 10 Cb 1.29 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.92 1ss6 h GLN 10 CO 0.17 0.28 -1.00 -0.40 -0.67 0.00 0.00 178.83 177.21 1ss6 n ASP 11 N -2.94 -6.46 -4.15 1.46 5.68 -1.24 -4.86 116.55 104.03 1ss6 n ASP 11 Ca -0.05 1.14 -0.34 0.00 -0.50 0.00 0.00 54.79 55.04 1ss6 n ASP 11 Cb 0.75 -4.32 -0.14 0.00 -1.14 0.00 0.00 41.12 36.27 1ss6 n ASP 11 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1ss6 s VAL 12 N -4.30 2.68 -0.48 2.12 -7.23 0.10 -4.74 120.40 108.55 1ss6 s VAL 12 Ca 0.00 -1.31 -0.12 0.00 -1.81 0.00 0.00 61.98 58.74 1ss6 s VAL 12 Cb 0.00 -2.47 0.11 0.00 0.56 0.00 0.00 36.38 34.58 1ss6 s VAL 12 CO 0.00 0.05 0.39 -1.00 -0.31 0.00 0.00 175.10 174.23 1ss6 s HIS 13 N 1.24 3.34 -0.39 2.82 3.76 -1.26 -0.54 115.29 124.26 1ss6 s HIS 13 Ca -0.04 -1.53 -0.08 0.00 -0.15 0.00 0.00 55.06 53.26 1ss6 s HIS 13 Cb -0.18 -3.47 0.07 0.00 1.11 0.00 0.00 32.58 30.10 1ss6 s HIS 13 CO -0.04 -0.96 0.20 0.14 -0.85 0.00 0.00 174.74 173.23 1ss6 s VAL 14 N 1.48 4.02 -0.12 -0.90 -7.23 0.48 -4.77 120.40 113.36 1ss6 s VAL 14 Ca 0.04 -1.33 -0.29 0.00 -1.81 0.00 0.00 61.98 58.58 1ss6 s VAL 14 Cb -0.27 -3.41 -0.02 0.00 0.56 0.00 0.00 36.38 33.24 1ss6 s VAL 14 CO 0.02 -0.40 1.29 0.54 -0.31 0.00 0.00 175.10 176.24 1ss6 s VAL 15 N 1.40 4.18 -0.32 1.32 0.11 -1.26 -1.79 120.40 124.05 1ss6 s VAL 15 Ca 0.02 1.46 -0.10 0.00 -2.93 0.00 0.00 61.98 60.42 1ss6 s VAL 15 Cb -0.22 -3.94 -0.01 0.00 -1.53 0.00 0.00 36.38 30.69 1ss6 s VAL 15 CO 0.02 -0.10 0.17 -0.22 -3.33 0.00 0.00 175.10 171.64 1ss6 s LEU 16 N 3.22 4.20 -0.16 2.54 0.20 0.29 -3.06 118.68 125.91 1ss6 s LEU 16 Ca 0.57 -0.54 -0.07 0.00 0.69 0.00 0.00 54.13 54.78 1ss6 s LEU 16 Cb -0.24 -2.02 -0.04 0.00 -0.43 0.00 0.00 46.19 43.46 1ss6 s LEU 16 CO 0.18 -0.21 0.06 -0.54 -0.29 0.00 0.00 176.35 175.55 1ss6 s LYS 17 N 1.62 3.77 -0.25 1.98 1.02 0.11 -0.46 119.74 127.54 1ss6 s LYS 17 Ca 0.05 -0.32 -0.11 0.00 0.02 0.00 0.00 55.97 55.61 1ss6 s LYS 17 Cb -0.17 -3.15 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 1ss6 s LYS 17 CO 0.07 0.40 0.17 -1.17 -0.92 0.00 0.00 175.35 173.90 1ss6 s LEU 18 N 0.00 4.10 0.00 3.17 2.96 0.12 -1.16 118.68 127.88 1ss6 s LEU 18 Ca 0.06 0.10 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1ss6 s LEU 18 Cb -0.12 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.45 1ss6 s LEU 18 CO 0.01 0.04 0.00 0.79 -1.32 0.00 0.00 176.35 175.87 1ss6 n TRP 19 N 4.43 -0.55 0.07 5.38 7.02 0.12 0.63 117.44 134.54 1ss6 n TRP 19 Ca -0.15 -0.01 -0.18 0.00 -1.02 0.00 0.00 57.50 56.14 1ss6 n TRP 19 Cb 0.52 -0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.31 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 0.54 0.00 -0.99 5.09 -1.52 -3.38 116.57 116.30 1ss6 h LYS 20 Ca -0.00 -0.65 -0.36 0.00 0.09 0.00 0.00 60.65 59.73 1ss6 h LYS 20 Cb 0.01 0.20 -0.07 0.00 0.10 0.00 0.00 32.23 32.47 1ss6 h LYS 20 CO 0.00 1.26 -2.35 0.43 -2.09 0.00 0.00 179.45 176.70 1ss6 n SER 21 N -3.76 0.21 0.00 7.07 7.64 -1.26 -5.02 113.62 118.50 1ss6 n SER 21 Ca -0.10 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1ss6 n SER 21 Cb 0.92 0.93 0.00 0.00 -1.01 0.00 0.00 64.21 65.05 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 1.80 2.57 3.02 0.23 0.00 -1.26 -0.87 105.19 110.70 1ss6 n GLY 22 Ca -0.33 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 1ss6 n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ss6 s PHE 23 N -1.09 0.11 -0.02 1.61 -0.71 -0.54 0.14 117.98 117.48 1ss6 s PHE 23 Ca 0.00 -0.25 0.05 0.00 -1.04 0.00 0.00 56.93 55.69 1ss6 s PHE 23 Cb 0.00 -0.10 -0.01 0.00 -1.21 0.00 0.00 43.02 41.70 1ss6 s PHE 23 CO 0.00 -0.20 -0.18 0.45 -1.34 0.00 0.00 175.22 173.95 1ss6 s SER 24 N -1.16 2.16 0.50 1.98 0.15 -0.31 -1.33 113.70 115.68 1ss6 s SER 24 Ca -0.13 -0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.20 1ss6 s SER 24 Cb -0.07 -0.37 -0.02 0.00 -1.71 0.00 0.00 66.02 63.85 1ss6 s SER 24 CO 0.00 0.20 0.01 -1.48 1.20 0.00 0.00 173.24 173.17 1ss6 s LEU 25 N -0.26 2.31 0.52 3.45 2.34 0.07 0.09 118.68 127.21 1ss6 s LEU 25 Ca 0.03 -1.63 0.23 0.00 0.06 0.00 0.00 54.13 52.82 1ss6 s LEU 25 Cb -0.09 -0.70 1.36 0.00 -0.56 0.00 0.00 46.19 46.20 1ss6 s LEU 25 CO 0.00 -0.83 2.02 -0.78 -1.06 0.00 0.00 176.35 175.71 1ss6 h ASP 26 N 1.41 0.02 0.51 1.48 3.58 -1.82 -2.17 116.42 119.42 1ss6 h ASP 26 Ca -0.43 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 56.79 1ss6 h ASP 26 Cb 1.31 -0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.31 1ss6 h ASP 26 CO 0.74 0.01 -1.67 -0.46 -2.88 0.00 0.00 179.24 174.98 1ss6 n ASN 27 N -4.41 0.70 -4.01 2.28 6.94 -1.26 -4.97 115.26 110.53 1ss6 n ASN 27 Ca 0.08 0.32 -0.15 0.00 -0.02 0.00 0.00 54.58 54.80 1ss6 n ASN 27 Cb 0.51 0.31 -0.13 0.00 -2.36 0.00 0.00 39.78 38.10 1ss6 n ASN 27 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1ss6 s GLY 28 N -4.97 0.39 0.55 4.83 0.00 -0.82 -5.15 107.32 102.15 1ss6 s GLY 28 Ca -0.05 -0.46 -0.09 0.00 0.00 0.00 0.00 44.72 44.12 1ss6 s GLY 28 CO 0.82 -0.45 0.52 1.18 0.00 0.00 0.00 173.10 175.17 1ss6 n GLU 29 N 2.36 -1.76 -1.60 2.90 1.02 -1.26 -0.75 120.64 121.55 1ss6 n GLU 29 Ca -0.17 -0.83 -0.35 0.00 -0.02 0.00 0.00 57.16 55.79 1ss6 n GLU 29 Cb 0.57 -0.73 -0.03 0.00 -0.02 0.00 0.00 31.44 31.22 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 3.38 -0.27 -4.62 0.20 -1.26 -4.03 118.68 112.09 1ss6 s LEU 30 Ca 0.33 0.97 -0.11 0.00 0.69 0.00 0.00 54.13 56.02 1ss6 s LEU 30 Cb -0.03 -2.50 -0.05 0.00 -0.43 0.00 0.00 46.19 43.18 1ss6 s LEU 30 CO 0.25 -2.89 0.17 -0.13 -0.29 0.00 0.00 176.35 173.47 1ss6 s ARG 31 N 8.20 3.97 0.23 1.98 0.52 -0.44 -4.80 118.95 128.61 1ss6 s ARG 31 Ca 0.95 -0.31 -0.31 0.00 -0.52 0.00 0.00 55.73 55.54 1ss6 s ARG 31 Cb -0.16 -3.60 -0.10 0.00 0.52 0.00 0.00 34.95 31.60 1ss6 s ARG 31 CO 0.25 -0.10 1.52 0.45 0.02 0.00 0.00 175.30 177.44 1ss6 s SER 32 N 1.53 6.56 0.60 0.23 0.15 -1.26 -1.46 113.70 120.05 1ss6 s SER 32 Ca 0.07 2.72 0.35 0.00 0.70 0.00 0.00 55.95 59.80 1ss6 s SER 32 Cb -0.15 -2.62 1.92 0.00 -1.71 0.00 0.00 66.02 63.46 1ss6 s SER 32 CO 0.09 -0.80 2.08 1.88 1.20 0.00 0.00 173.24 177.69 1ss6 h TYR 33 N 5.59 0.00 0.00 3.44 0.05 -1.34 0.18 116.97 124.89 1ss6 h TYR 33 Ca -0.45 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.26 1ss6 h TYR 33 Cb 1.21 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.94 1ss6 h TYR 33 CO 0.61 0.00 -0.35 1.96 -1.05 0.00 0.00 178.16 179.34 1ss6 h GLN 34 N 0.00 0.00 -6.44 4.88 4.20 -1.89 -3.44 115.11 112.42 1ss6 h GLN 34 Ca 0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 1ss6 h GLN 34 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1ss6 h GLN 34 CO 0.00 0.35 0.71 0.34 -0.67 0.00 0.00 178.83 179.55 1ss6 s ASP 35 N -6.62 6.94 0.00 1.46 2.15 0.63 -4.92 116.67 116.31 1ss6 s ASP 35 Ca -0.02 2.10 0.20 0.00 0.43 0.00 0.00 52.55 55.26 1ss6 s ASP 35 Cb 0.13 -2.57 1.03 0.00 -0.30 0.00 0.00 42.92 41.21 1ss6 s ASP 35 CO 0.69 -0.61 1.61 -2.65 -0.17 0.00 0.00 175.17 174.04 1ss6 n PRO 36 N 4.54 0.35 0.02 4.34 -0.02 -1.26 -2.49 135.00 140.48 1ss6 n PRO 36 Ca 0.11 0.08 -0.20 0.00 -2.02 0.00 0.00 63.50 61.47 1ss6 n PRO 36 Cb 0.44 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.28 1ss6 n PRO 36 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1ss6 h SER 37 N 0.00 0.40 1.32 2.55 0.02 -1.94 -3.30 113.55 112.60 1ss6 h SER 37 Ca 0.00 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 1ss6 h SER 37 Cb 0.15 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1ss6 h SER 37 CO 0.00 1.72 -0.09 -0.46 -1.14 0.00 0.00 176.83 176.86 1ss6 n ASN 38 N -3.45 0.69 0.02 3.07 0.23 -1.19 -2.76 115.26 111.87 1ss6 n ASN 38 Ca -0.28 0.49 0.21 0.00 -0.53 0.00 0.00 54.58 54.48 1ss6 n ASN 38 Cb 1.05 -0.62 0.73 0.00 -2.08 0.00 0.00 39.78 38.87 1ss6 n ASN 38 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ss6 h ALA 39 N 2.59 2.35 -0.07 -2.53 0.00 -1.56 0.10 119.26 120.14 1ss6 h ALA 39 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1ss6 h ALA 39 Cb 0.70 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1ss6 h ALA 39 CO 0.00 -0.71 -0.14 0.37 0.00 0.00 0.00 179.25 178.77 1ss6 h GLN 40 N 0.00 -0.20 0.54 0.00 -0.00 -1.66 0.69 115.11 114.48 1ss6 h GLN 40 Ca 0.24 0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.88 1ss6 h GLN 40 Cb 1.12 0.04 0.01 0.00 0.00 0.00 0.00 27.48 28.65 1ss6 h GLN 40 CO -0.00 -0.13 -0.26 0.74 0.00 0.00 0.00 178.83 179.18 1ss6 h PHE 41 N -0.20 -0.67 -0.87 3.99 0.04 -1.05 -0.07 116.94 118.11 1ss6 h PHE 41 Ca 0.07 -0.02 0.20 0.00 2.80 0.00 0.00 57.97 61.02 1ss6 h PHE 41 Cb 0.30 0.22 -0.12 0.00 2.20 0.00 0.00 35.95 38.56 1ss6 h PHE 41 CO -0.23 -0.41 0.37 -0.07 -0.60 0.00 0.00 178.31 177.37 1ss6 h LEU 42 N -0.74 0.32 0.60 1.54 3.38 -1.12 0.55 115.31 119.85 1ss6 h LEU 42 Ca -0.07 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1ss6 h LEU 42 Cb 0.56 0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.43 1ss6 h LEU 42 CO 0.12 0.04 -0.29 -0.08 0.09 0.00 0.00 178.44 178.32 1ss6 h GLU 43 N 0.43 -0.77 -0.78 1.13 4.81 -0.61 -1.54 114.58 117.24 1ss6 h GLU 43 Ca 0.52 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.85 1ss6 h GLU 43 Cb 0.93 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 1ss6 h GLU 43 CO -0.49 -0.51 0.48 0.77 -0.73 0.00 0.00 179.01 178.52 1ss6 h SER 44 N -1.14 0.76 0.46 1.04 0.02 -0.43 -1.10 113.55 113.16 1ss6 h SER 44 Ca -0.08 0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.72 1ss6 h SER 44 Cb 0.61 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1ss6 h SER 44 CO 0.13 0.50 -0.71 0.40 -1.14 0.00 0.00 176.83 176.02 1ss6 h ILE 45 N 0.90 1.43 0.00 3.27 2.04 0.01 0.41 117.51 125.57 1ss6 h ILE 45 Ca 0.33 -2.23 -0.06 0.00 1.00 0.00 0.00 64.86 63.90 1ss6 h ILE 45 Cb 0.11 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1ss6 h ILE 45 CO -0.15 0.65 -0.29 0.08 0.00 0.00 0.00 178.15 178.44 1ss6 h ARG 46 N 0.14 0.00 0.00 2.37 0.11 -0.81 -2.32 114.38 113.87 1ss6 h ARG 46 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1ss6 h ARG 46 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1ss6 h ARG 46 CO 0.11 0.29 -0.07 0.00 0.10 0.00 0.00 179.97 180.40 1ss6 h ARG 47 N 0.00 0.00 0.00 0.08 2.47 -0.67 -3.47 114.38 112.79 1ss6 h ARG 47 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ss6 h ARG 47 Cb 0.90 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 1ss6 h ARG 47 CO 0.04 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.98 1ss6 n GLY 48 N 1.20 0.59 3.97 0.04 0.00 -0.32 -5.06 105.19 105.61 1ss6 n GLY 48 Ca 0.04 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.07 2.66 -0.17 1.61 2.02 0.13 -4.98 118.70 118.90 1ss6 s GLU 49 Ca 0.00 -1.40 -0.21 0.00 0.02 0.00 0.00 54.97 53.38 1ss6 s GLU 49 Cb 0.00 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.58 1ss6 s GLU 49 CO 0.00 -0.34 0.63 0.54 0.02 0.00 0.00 175.26 176.10 1ss6 s VAL 50 N -2.44 5.04 0.25 2.63 0.11 -1.26 -4.02 120.40 120.72 1ss6 s VAL 50 Ca 0.53 1.21 -0.30 0.00 -2.93 0.00 0.00 61.98 60.49 1ss6 s VAL 50 Cb -0.07 -3.95 -0.09 0.00 -1.53 0.00 0.00 36.38 30.74 1ss6 s VAL 50 CO 0.32 0.16 1.27 -2.84 -3.33 0.00 0.00 175.10 170.68 1ss6 s PRO 51 N 1.57 4.42 0.48 1.54 0.02 -1.26 -4.93 135.00 136.85 1ss6 s PRO 51 Ca 0.30 2.06 0.33 0.00 0.02 0.00 0.00 61.00 63.71 1ss6 s PRO 51 Cb -0.16 -3.16 1.54 0.00 0.02 0.00 0.00 34.50 32.75 1ss6 s PRO 51 CO 0.12 -0.16 1.98 0.00 -0.33 0.00 0.00 177.00 178.61 1ss6 h ALA 52 N 4.51 1.00 0.00 -1.55 0.00 -1.96 -1.90 119.26 119.35 1ss6 h ALA 52 Ca -0.46 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1ss6 h ALA 52 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1ss6 h ALA 52 CO 0.72 0.00 -0.29 0.93 0.00 0.00 0.00 179.25 180.61 1ss6 h GLU 53 N 0.00 0.00 0.05 0.00 4.39 -1.91 0.34 114.58 117.44 1ss6 h GLU 53 Ca 0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 1ss6 h GLU 53 Cb 0.26 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1ss6 h GLU 53 CO 0.00 0.29 -1.19 -0.07 -1.16 0.00 0.00 179.01 176.88 1ss6 h LEU 54 N 0.00 0.16 0.56 1.33 3.38 -1.75 -3.33 115.31 115.67 1ss6 h LEU 54 Ca -0.00 -0.73 -0.03 0.00 0.09 0.00 0.00 57.88 57.21 1ss6 h LEU 54 Cb 0.56 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1ss6 h LEU 54 CO 0.04 1.50 -0.27 -0.09 0.09 0.00 0.00 178.44 179.70 1ss6 h ARG 55 N -0.68 -0.73 -2.07 1.13 9.65 -1.46 -1.27 114.38 118.96 1ss6 h ARG 55 Ca -0.29 0.05 -0.30 0.00 -1.10 0.00 0.00 59.98 58.34 1ss6 h ARG 55 Cb 1.47 0.17 -0.09 0.00 -1.39 0.00 0.00 29.97 30.13 1ss6 h ARG 55 CO -0.07 -0.44 0.09 -2.13 2.80 0.00 0.00 179.97 180.22 1ss6 n ARG 56 N -5.37 2.24 0.12 0.20 3.00 0.12 -3.50 116.66 113.48 1ss6 n ARG 56 Ca -0.12 -1.44 0.00 0.00 -0.00 0.00 0.00 57.85 56.29 1ss6 n ARG 56 Cb 0.33 -2.09 0.00 0.00 0.00 0.00 0.00 32.46 30.70 1ss6 n ARG 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1ss6 n LEU 57 N 2.16 -0.46 -4.77 6.15 7.94 -0.92 -4.82 117.00 122.28 1ss6 n LEU 57 Ca 0.47 0.42 -0.40 0.00 -1.11 0.00 0.00 56.01 55.39 1ss6 n LEU 57 Cb 0.78 0.61 0.00 0.00 0.53 0.00 0.00 43.42 45.34 1ss6 n LEU 57 CO 0.22 -0.64 1.00 0.00 -1.11 0.00 0.00 177.39 176.86 1ss6 s ALA 58 N -2.00 3.25 -0.61 1.96 0.00 -0.52 -4.98 121.76 118.86 1ss6 s ALA 58 Ca 0.00 1.31 -0.19 0.00 0.00 0.00 0.00 51.96 53.09 1ss6 s ALA 58 Cb 0.00 -3.52 0.11 0.00 0.00 0.00 0.00 23.12 19.70 1ss6 s ALA 58 CO 0.00 -0.96 0.73 -1.01 0.00 0.00 0.00 175.76 174.52 1ss6 s HIS 59 N -1.24 3.01 0.00 0.00 3.76 -1.26 -4.24 115.29 115.32 1ss6 s HIS 59 Ca 0.58 -0.99 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 1ss6 s HIS 59 Cb -0.40 -4.03 0.00 0.00 1.11 0.00 0.00 32.58 29.26 1ss6 s HIS 59 CO 0.51 -1.30 0.00 0.41 -0.85 0.00 0.00 174.74 173.51 1ss6 n GLY 60 N 5.26 3.05 0.88 -2.22 0.00 -1.24 -0.84 105.19 110.08 1ss6 n GLY 60 Ca -0.08 -0.39 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 0.00 0.68 3.63 -0.02 0.00 -1.26 -4.93 105.19 103.29 1ss6 n GLY 61 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1ss6 n GLY 61 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ss6 s GLN 62 N -0.71 3.99 -0.20 1.61 0.74 -1.26 -4.99 119.66 118.84 1ss6 s GLN 62 Ca 0.00 0.98 0.01 0.00 0.05 0.00 0.00 55.36 56.40 1ss6 s GLN 62 Cb 0.00 -3.78 0.04 0.00 1.10 0.00 0.00 33.01 30.37 1ss6 s GLN 62 CO 0.00 -1.01 -0.12 0.08 -0.55 0.00 0.00 175.29 173.69 1ss6 s VAL 63 N 3.84 1.80 -0.09 1.34 1.01 -1.26 0.00 120.40 127.05 1ss6 s VAL 63 Ca 0.46 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1ss6 s VAL 63 Cb -0.11 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.46 1ss6 s VAL 63 CO 0.19 0.23 -0.16 0.21 0.00 0.00 0.00 175.10 175.57 1ss6 s ASN 64 N 1.34 2.31 -0.04 3.32 3.04 0.30 -5.00 114.94 120.20 1ss6 s ASN 64 Ca -0.01 -0.40 0.07 0.00 0.04 0.00 0.00 52.86 52.55 1ss6 s ASN 64 Cb -0.16 -1.05 -0.01 0.00 -1.54 0.00 0.00 41.25 38.49 1ss6 s ASN 64 CO -0.09 0.05 -0.24 -0.22 -3.04 0.00 0.00 177.10 173.56 1ss6 s LEU 65 N 0.76 2.04 0.19 3.21 0.20 -1.26 -0.39 118.68 123.44 1ss6 s LEU 65 Ca -0.12 -0.46 0.10 0.00 0.69 0.00 0.00 54.13 54.34 1ss6 s LEU 65 Cb -0.16 -1.28 -0.04 0.00 -0.43 0.00 0.00 46.19 44.28 1ss6 s LEU 65 CO 0.02 0.26 -0.20 -1.81 -0.29 0.00 0.00 176.35 174.33 1ss6 s ASP 66 N -0.33 3.05 0.05 3.68 1.01 -0.74 -4.97 116.67 118.42 1ss6 s ASP 66 Ca 0.02 -0.90 0.09 0.00 0.71 0.00 0.00 52.55 52.47 1ss6 s ASP 66 Cb -0.11 -0.21 -0.03 0.00 1.01 0.00 0.00 42.92 43.58 1ss6 s ASP 66 CO 0.01 0.02 -0.24 -0.04 0.21 0.00 0.00 175.17 175.13 1ss6 s MET 67 N -2.92 1.57 -0.03 8.23 -1.94 -1.26 0.10 119.30 123.05 1ss6 s MET 67 Ca 0.20 -1.06 0.01 0.00 -1.71 0.00 0.00 55.69 53.13 1ss6 s MET 67 Cb -0.06 -1.75 0.02 0.00 2.01 0.00 0.00 34.83 35.05 1ss6 s MET 67 CO 0.09 0.45 -0.03 -1.21 -0.01 0.00 0.00 175.02 174.30 1ss6 s GLU 68 N -1.31 0.56 -0.36 2.03 2.02 0.39 -4.93 118.70 117.09 1ss6 s GLU 68 Ca 0.10 -0.08 -0.11 0.00 0.02 0.00 0.00 54.97 54.90 1ss6 s GLU 68 Cb -0.09 -0.61 0.02 0.00 0.10 0.00 0.00 34.13 33.55 1ss6 s GLU 68 CO 0.02 -0.04 0.21 0.16 0.02 0.00 0.00 175.26 175.63 1ss6 s ASP 69 N 0.63 5.74 -0.12 -0.19 -4.77 -1.26 0.16 116.67 116.86 1ss6 s ASP 69 Ca -0.07 -0.88 -0.08 0.00 -3.30 0.00 0.00 52.55 48.21 1ss6 s ASP 69 Cb -0.11 -2.03 -0.05 0.00 -1.09 0.00 0.00 42.92 39.63 1ss6 s ASP 69 CO -0.00 -0.35 -0.19 1.41 0.70 0.00 0.00 175.17 176.73 1ss6 n HIS 70 N 5.01 0.00 0.00 2.11 8.25 -0.04 -4.93 115.22 125.62 1ss6 n HIS 70 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1ss6 n HIS 70 Cb 0.47 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.12 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 -3.79 0.00 0.00 -0.41 1.74 0.21 -2.71 116.66 111.69 1ss6 n ARG 71 Ca -0.23 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 56.86 1ss6 n ARG 71 Cb 0.57 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.04 1ss6 n ARG 71 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ss6 n ASP 72 N 0.57 0.00 0.00 0.55 5.68 -1.26 -1.75 116.55 120.34 1ss6 n ASP 72 Ca 0.00 0.41 0.00 0.00 -0.50 0.00 0.00 54.79 54.70 1ss6 n ASP 72 Cb 0.00 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.56 1ss6 n ASP 72 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ss6 n GLU 73 N -1.42 0.00 0.00 0.11 1.02 -1.10 -5.02 120.64 114.23 1ss6 n GLU 73 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ss6 n GLU 73 Cb 0.01 -0.04 0.00 0.00 -0.02 0.00 0.00 31.44 31.40 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 0.00 0.00 -3.67 1.62 2.03 -1.23 -4.95 116.55 110.36 1ss6 n ASP 74 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 1ss6 n ASP 74 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 1ss6 n ASP 74 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1ss6 s PHE 75 N 0.87 -0.72 -0.30 -0.67 5.36 -1.26 -4.29 117.98 116.98 1ss6 s PHE 75 Ca 0.00 1.66 -0.12 0.00 -0.96 0.00 0.00 56.93 57.51 1ss6 s PHE 75 Cb 0.00 0.29 0.14 0.00 -0.34 0.00 0.00 43.02 43.12 1ss6 s PHE 75 CO 0.00 -0.35 0.78 0.54 -1.46 0.00 0.00 175.22 174.73 1ss6 s VAL 76 N 0.63 -0.78 0.00 3.12 0.11 -1.26 -5.01 120.40 117.20 1ss6 s VAL 76 Ca -0.02 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 1ss6 s VAL 76 Cb -0.05 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1ss6 s VAL 76 CO -0.04 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 172.90 1ss6 n LYS 77 N 5.23 0.00 -0.31 1.54 4.81 -1.26 -4.80 118.16 123.37 1ss6 n LYS 77 Ca -0.11 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.28 1ss6 n LYS 77 Cb 0.51 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.63 1ss6 n LYS 77 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1ss6 h PRO 78 N 0.00 1.22 -3.36 1.64 0.11 -1.96 -3.17 132.00 126.49 1ss6 h PRO 78 Ca 0.00 -0.19 -0.79 0.00 0.11 0.00 0.00 66.00 65.12 1ss6 h PRO 78 Cb 0.00 -0.21 -0.25 0.00 0.11 0.00 0.00 31.00 30.64 1ss6 h PRO 78 CO 0.00 0.95 0.91 0.36 -0.21 0.00 0.00 178.00 180.01 1ss6 n LYS 79 N -4.29 3.98 -1.90 1.05 2.85 -1.26 -4.97 118.16 113.62 1ss6 n LYS 79 Ca 0.08 -4.32 0.00 0.00 -1.05 0.00 0.00 58.31 53.02 1ss6 n LYS 79 Cb 0.15 -2.63 0.00 0.00 -0.65 0.00 0.00 35.03 31.91 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 2.18 4.05 0.07 2.58 0.00 -1.20 -4.69 105.19 108.17 1ss6 n GLY 80 Ca 0.28 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.62 1ss6 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ss6 h ALA 81 N 1.01 0.00 0.00 4.61 0.00 -1.93 -3.50 119.26 119.46 1ss6 h ALA 81 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ss6 h ALA 81 Cb 0.00 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ss6 h ALA 81 CO 0.00 0.46 0.00 0.34 0.00 0.00 0.00 179.25 180.05 1ss6 n PHE 82 N -4.51 -3.41 -3.55 0.00 7.35 -1.26 -5.06 117.46 107.01 1ss6 n PHE 82 Ca -0.06 0.89 -0.41 0.00 -0.76 0.00 0.00 57.45 57.11 1ss6 n PHE 82 Cb 0.24 2.28 -0.09 0.00 0.35 0.00 0.00 39.48 42.26 1ss6 n PHE 82 CO 0.00 0.00 0.00 -1.59 -0.76 0.00 0.00 176.76 174.41 1ss6 s LYS 83 N -1.65 2.62 -0.28 -4.13 -2.85 -1.26 -4.97 119.74 107.22 1ss6 s LYS 83 Ca 0.00 -1.55 -0.05 0.00 -1.00 0.00 0.00 55.97 53.37 1ss6 s LYS 83 Cb 0.00 -3.88 -0.12 0.00 -2.06 0.00 0.00 37.83 31.76 1ss6 s LYS 83 CO 0.00 -1.05 3.24 0.00 0.10 0.00 0.00 175.35 177.64 1ss6 n ALA 84 N 4.96 6.48 -3.65 0.59 0.00 -1.26 -4.73 120.51 122.90 1ss6 n ALA 84 Ca -0.10 -2.44 -0.04 0.00 0.00 0.00 0.00 53.44 50.86 1ss6 n ALA 84 Cb 0.42 -2.31 -0.07 0.00 0.00 0.00 0.00 19.45 17.49 1ss6 n ALA 84 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ss6 s PHE 85 N -0.06 -0.25 -0.08 0.00 -0.71 -1.26 -4.87 117.98 110.75 1ss6 s PHE 85 Ca 0.64 0.57 0.14 0.00 -1.04 0.00 0.00 56.93 57.24 1ss6 s PHE 85 Cb 0.33 0.36 -0.22 0.00 -1.21 0.00 0.00 43.02 42.28 1ss6 s PHE 85 CO -0.09 -0.12 0.59 2.41 -1.34 0.00 0.00 175.22 176.66 1ss6 n THR 86 N 2.31 1.48 0.00 -4.49 -1.04 -1.26 -4.99 114.28 106.28 1ss6 n THR 86 Ca -0.13 -0.78 0.00 0.00 -2.04 0.00 0.00 64.05 61.09 1ss6 n THR 86 Cb 0.57 -0.87 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 1ss6 n THR 86 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ss6 n GLY 87 N 1.56 1.79 3.80 3.41 0.00 -1.26 -4.95 105.19 109.54 1ss6 n GLY 87 Ca -0.18 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 4.16 0.00 1.61 2.56 -1.26 -4.05 118.70 121.72 1ss6 s GLU 88 Ca 0.00 1.33 0.00 0.00 0.00 0.00 0.00 54.97 56.30 1ss6 s GLU 88 Cb 0.00 -2.37 0.00 0.00 2.00 0.00 0.00 34.13 33.76 1ss6 s GLU 88 CO 0.00 -0.11 0.00 0.41 -0.56 0.00 0.00 175.26 175.00 1ss6 n GLY 89 N -0.05 0.48 0.45 -1.50 0.00 -1.26 -4.91 105.19 98.40 1ss6 n GLY 89 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 1ss6 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ss6 n GLN 90 N -1.98 0.04 -0.00 1.61 10.64 -1.26 -4.80 117.38 121.63 1ss6 n GLN 90 Ca 0.00 0.01 0.06 0.00 -1.83 0.00 0.00 57.00 55.25 1ss6 n GLN 90 Cb 0.00 -0.82 -0.09 0.00 -0.86 0.00 0.00 30.24 28.47 1ss6 n GLN 90 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 1ss6 n LYS 91 N -2.80 0.96 0.00 2.61 4.81 -1.26 -4.99 118.16 117.48 1ss6 n LYS 91 Ca -0.03 -0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 1ss6 n LYS 91 Cb 0.53 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 34.32 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 -1.80 0.00 0.00 3.14 7.99 -1.26 -4.64 117.00 120.42 1ss6 n LEU 92 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 1ss6 n LEU 92 Cb 0.31 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.62 1ss6 n LEU 92 CO 0.27 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.76 1ss6 n GLY 93 N 0.00 4.12 2.03 -0.72 0.00 -1.26 -4.90 105.19 104.46 1ss6 n GLY 93 Ca 0.00 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 1ss6 n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ss6 n SER 94 N 0.00 5.06 -0.02 1.61 3.41 -1.26 -4.71 113.62 117.70 1ss6 n SER 94 Ca 0.00 -3.73 -0.15 0.00 -0.26 0.00 0.00 58.87 54.72 1ss6 n SER 94 Cb 0.00 -0.79 -0.12 0.00 -0.26 0.00 0.00 64.21 63.04 1ss6 n SER 94 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1ss6 h THR 95 N 1.14 1.55 -3.46 6.66 1.35 -1.98 -3.44 112.91 114.74 1ss6 h THR 95 Ca 0.51 -2.00 -0.61 0.00 -0.55 0.00 0.00 66.41 63.77 1ss6 h THR 95 Cb 1.73 2.81 -0.11 0.00 -1.73 0.00 0.00 68.15 70.85 1ss6 h THR 95 CO 1.10 0.55 0.34 0.00 -0.25 0.00 0.00 175.52 177.26 1ss6 s ALA 96 N -3.05 3.53 0.03 6.62 0.00 -1.26 -4.97 121.76 122.67 1ss6 s ALA 96 Ca -0.16 -0.48 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 1ss6 s ALA 96 Cb 0.01 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 1ss6 s ALA 96 CO 0.75 -1.18 1.38 -2.14 0.00 0.00 0.00 175.76 174.57 1ss6 s PRO 97 N 2.88 4.31 0.00 0.00 0.02 -1.15 -4.32 135.00 136.73 1ss6 s PRO 97 Ca 0.31 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1ss6 s PRO 97 Cb -0.14 -3.47 0.00 0.00 0.02 0.00 0.00 34.50 30.91 1ss6 s PRO 97 CO 0.12 -0.51 0.00 1.04 -0.33 0.00 0.00 177.00 177.32 1ss6 n GLN 98 N 4.88 0.00 0.00 5.54 6.02 -1.26 -2.57 117.38 130.00 1ss6 n GLN 98 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1ss6 n GLN 98 Cb 0.44 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.70 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 0.00 0.00 -2.13 5.09 3.14 -1.26 -5.13 118.33 118.04 1ss6 n VAL 99 Ca 0.00 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.08 1ss6 n VAL 99 Cb 0.00 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 32.79 1ss6 n VAL 99 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1ss6 s LEU 100 N -0.62 3.33 0.05 6.55 2.96 -1.06 -4.94 118.68 124.95 1ss6 s LEU 100 Ca 0.00 1.22 -0.24 0.00 -0.22 0.00 0.00 54.13 54.89 1ss6 s LEU 100 Cb 0.00 -4.22 -0.17 0.00 0.50 0.00 0.00 46.19 42.30 1ss6 s LEU 100 CO 0.00 -0.82 1.56 -1.28 -1.32 0.00 0.00 176.35 174.50 1ss6 h SER 101 N -0.17 0.00 0.00 3.68 0.87 -1.94 -3.04 113.55 112.96 1ss6 h SER 101 Ca -0.45 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 1ss6 h SER 101 Cb 1.20 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1ss6 h SER 101 CO 0.62 0.19 0.00 0.35 -0.53 0.00 0.00 176.83 177.46