#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss6 h SER 2 N 0.00 0.24 -0.02 1.61 4.64 -2.02 -3.25 113.55 114.75 1ss6 h SER 2 Ca 0.00 -0.38 -0.10 0.00 -0.47 0.00 0.00 61.79 60.84 1ss6 h SER 2 Cb 0.00 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1ss6 h SER 2 CO 0.00 1.33 -0.38 -0.33 -0.87 0.00 0.00 176.83 176.58 1ss6 h GLU 3 N 0.04 0.30 -4.27 4.77 4.39 -2.08 -3.39 114.58 114.33 1ss6 h GLU 3 Ca -0.25 -0.29 -0.65 0.00 0.34 0.00 0.00 59.36 58.51 1ss6 h GLU 3 Cb 1.99 0.08 -0.40 0.00 -0.10 0.00 0.00 28.75 30.31 1ss6 h GLU 3 CO 0.13 0.97 -0.71 -1.59 -1.16 0.00 0.00 179.01 176.65 1ss6 s LYS 4 N -3.31 1.45 0.34 2.33 -2.85 -1.26 -5.11 119.74 111.33 1ss6 s LYS 4 Ca -0.15 -1.90 0.08 0.00 -1.00 0.00 0.00 55.97 53.01 1ss6 s LYS 4 Cb 0.03 -3.04 -0.04 0.00 -2.06 0.00 0.00 37.83 32.71 1ss6 s LYS 4 CO 0.78 -0.98 0.13 -0.98 0.10 0.00 0.00 175.35 174.39 1ss6 s ARG 5 N 0.78 2.36 0.00 1.78 1.70 -1.23 -0.82 118.95 123.52 1ss6 s ARG 5 Ca 0.12 -1.54 0.00 0.00 -0.47 0.00 0.00 55.73 53.84 1ss6 s ARG 5 Cb -0.20 -2.17 0.00 0.00 -0.57 0.00 0.00 34.95 32.01 1ss6 s ARG 5 CO -0.09 0.13 0.00 0.94 -1.08 0.00 0.00 175.30 175.20 1ss6 n GLN 6 N -1.13 0.00 -3.46 3.89 -0.06 -1.26 -4.99 117.38 110.37 1ss6 n GLN 6 Ca -0.03 0.00 -0.26 0.00 -2.00 0.00 0.00 57.00 54.70 1ss6 n GLN 6 Cb 0.61 -0.28 -0.09 0.00 -4.06 0.00 0.00 30.24 26.42 1ss6 n GLN 6 CO 0.00 0.00 0.00 -2.39 -0.20 0.00 0.00 177.06 174.47 1ss6 n HIS 7 N -1.00 1.17 -3.89 3.69 1.44 -1.26 -5.07 115.22 110.30 1ss6 n HIS 7 Ca 0.00 -3.79 -0.09 0.00 -2.01 0.00 0.00 57.72 51.83 1ss6 n HIS 7 Cb 0.00 -0.28 -0.08 0.00 0.12 0.00 0.00 29.99 29.75 1ss6 n HIS 7 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1ss6 s SER 8 N -1.17 0.13 -1.37 4.39 0.01 -1.26 -4.85 113.70 109.59 1ss6 s SER 8 Ca 0.33 -0.57 -0.07 0.00 1.31 0.00 0.00 55.95 56.96 1ss6 s SER 8 Cb 0.08 0.29 0.03 0.00 0.21 0.00 0.00 66.02 66.63 1ss6 s SER 8 CO -0.13 -0.62 1.00 -0.24 0.41 0.00 0.00 173.24 173.66 1ss6 n SER 9 N 0.34 -4.11 -2.35 2.44 2.88 -0.67 -4.86 113.62 107.30 1ss6 n SER 9 Ca -0.17 -0.68 -0.26 0.00 -1.33 0.00 0.00 58.87 56.44 1ss6 n SER 9 Cb 0.60 -4.55 -0.01 0.00 -0.75 0.00 0.00 64.21 59.50 1ss6 n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ss6 n GLN 10 N -4.61 2.28 -0.25 -1.46 1.13 0.76 -4.92 117.38 110.32 1ss6 n GLN 10 Ca -0.10 -2.29 -0.10 0.00 -1.94 0.00 0.00 57.00 52.58 1ss6 n GLN 10 Cb 0.59 -2.02 -0.01 0.00 0.11 0.00 0.00 30.24 28.91 1ss6 n GLN 10 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1ss6 n ASP 11 N 0.50 -0.01 -4.62 1.08 2.03 -1.26 -3.07 116.55 111.20 1ss6 n ASP 11 Ca 0.45 0.19 -0.42 0.00 0.52 0.00 0.00 54.79 55.53 1ss6 n ASP 11 Cb 0.54 -0.15 -0.04 0.00 -0.72 0.00 0.00 41.12 40.74 1ss6 n ASP 11 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1ss6 s VAL 12 N -0.01 4.75 -0.48 5.18 -7.23 0.15 -4.92 120.40 117.85 1ss6 s VAL 12 Ca 0.15 1.29 -0.15 0.00 -1.81 0.00 0.00 61.98 61.46 1ss6 s VAL 12 Cb -0.21 -4.19 0.08 0.00 0.56 0.00 0.00 36.38 32.63 1ss6 s VAL 12 CO 0.10 -0.27 0.41 -2.28 -0.31 0.00 0.00 175.10 172.74 1ss6 s HIS 13 N 3.05 3.25 -0.52 2.82 2.46 -1.26 -0.77 115.29 124.32 1ss6 s HIS 13 Ca 0.34 -1.03 -0.16 0.00 0.47 0.00 0.00 55.06 54.69 1ss6 s HIS 13 Cb -0.14 -3.27 0.10 0.00 -0.13 0.00 0.00 32.58 29.15 1ss6 s HIS 13 CO 0.13 -0.84 0.48 0.08 -2.47 0.00 0.00 174.74 172.12 1ss6 s VAL 14 N 1.62 5.18 -0.45 0.89 1.01 0.22 -4.73 120.40 124.14 1ss6 s VAL 14 Ca 0.04 -1.27 -0.28 0.00 0.00 0.00 0.00 61.98 60.47 1ss6 s VAL 14 Cb -0.25 -4.27 0.03 0.00 0.00 0.00 0.00 36.38 31.88 1ss6 s VAL 14 CO 0.06 -0.78 1.05 0.54 0.00 0.00 0.00 175.10 175.97 1ss6 s VAL 15 N 1.72 4.34 -0.37 2.92 0.11 -1.26 -0.40 120.40 127.46 1ss6 s VAL 15 Ca 0.04 1.10 -0.12 0.00 -2.93 0.00 0.00 61.98 60.07 1ss6 s VAL 15 Cb -0.27 -4.51 0.02 0.00 -1.53 0.00 0.00 36.38 30.08 1ss6 s VAL 15 CO 0.05 -0.88 0.23 -0.22 -3.33 0.00 0.00 175.10 170.95 1ss6 s LEU 16 N 4.09 4.72 -0.15 2.54 0.20 0.18 -2.94 118.68 127.33 1ss6 s LEU 16 Ca 0.43 -0.86 -0.06 0.00 0.69 0.00 0.00 54.13 54.33 1ss6 s LEU 16 Cb -0.09 -2.07 -0.04 0.00 -0.43 0.00 0.00 46.19 43.57 1ss6 s LEU 16 CO 0.28 -0.36 0.06 -0.54 -0.29 0.00 0.00 176.35 175.50 1ss6 s LYS 17 N 1.61 3.67 -0.28 1.98 1.02 -0.67 0.48 119.74 127.55 1ss6 s LYS 17 Ca 0.03 -0.32 -0.11 0.00 0.02 0.00 0.00 55.97 55.59 1ss6 s LYS 17 Cb -0.19 -3.12 -0.05 0.00 -0.52 0.00 0.00 37.83 33.96 1ss6 s LYS 17 CO 0.08 0.46 0.21 -1.17 -0.92 0.00 0.00 175.35 174.00 1ss6 s LEU 18 N -0.15 4.03 0.00 3.17 2.96 -0.32 -1.69 118.68 126.68 1ss6 s LEU 18 Ca 0.07 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 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 -0.06 0.00 0.79 -1.32 0.00 0.00 176.35 175.78 1ss6 n TRP 19 N 5.04 -1.50 0.11 5.38 7.02 0.14 0.60 117.44 134.23 1ss6 n TRP 19 Ca -0.13 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.17 1ss6 n TRP 19 Cb 0.52 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 29.26 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 0.33 0.01 -0.99 5.09 -1.67 -3.37 116.57 115.97 1ss6 h LYS 20 Ca 0.00 -0.56 -0.35 0.00 0.09 0.00 0.00 60.65 59.83 1ss6 h LYS 20 Cb 0.00 0.21 -0.06 0.00 0.10 0.00 0.00 32.23 32.48 1ss6 h LYS 20 CO 0.00 1.26 -2.16 -1.13 -2.09 0.00 0.00 179.45 175.33 1ss6 n SER 21 N -3.56 0.82 0.00 7.07 3.41 -1.26 -5.01 113.62 115.09 1ss6 n SER 21 Ca -0.11 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1ss6 n SER 21 Cb 1.04 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 65.24 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 1.81 2.40 3.28 5.00 0.00 -1.25 -1.15 105.19 115.27 1ss6 n GLY 22 Ca -0.30 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.93 1.36 0.01 1.61 -0.71 -0.48 0.25 117.98 118.09 1ss6 s PHE 23 Ca 0.00 -0.79 0.01 0.00 -1.04 0.00 0.00 56.93 55.11 1ss6 s PHE 23 Cb 0.00 -0.72 -0.01 0.00 -1.21 0.00 0.00 43.02 41.08 1ss6 s PHE 23 CO 0.00 0.07 -0.04 -1.54 -1.34 0.00 0.00 175.22 172.37 1ss6 s SER 24 N -3.21 0.38 0.53 1.98 1.04 -0.68 -0.98 113.70 112.76 1ss6 s SER 24 Ca 0.20 -0.25 0.06 0.00 0.48 0.00 0.00 55.95 56.44 1ss6 s SER 24 Cb 0.03 0.01 0.06 0.00 0.10 0.00 0.00 66.02 66.23 1ss6 s SER 24 CO 0.03 -0.10 0.54 0.18 0.98 0.00 0.00 173.24 174.87 1ss6 n LEU 25 N 2.38 0.00 0.24 2.42 7.99 -1.26 -1.68 117.00 127.09 1ss6 n LEU 25 Ca -0.17 -2.54 0.16 0.00 -0.01 0.00 0.00 56.01 53.45 1ss6 n LEU 25 Cb 0.57 -0.19 0.71 0.00 -0.11 0.00 0.00 43.42 44.40 1ss6 n LEU 25 CO 0.23 -0.62 0.97 -0.78 -1.51 0.00 0.00 177.39 175.69 1ss6 h ASP 26 N 0.39 0.00 1.35 -1.43 3.58 -1.82 -3.14 116.42 115.34 1ss6 h ASP 26 Ca -0.30 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.15 1ss6 h ASP 26 Cb 1.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 1ss6 h ASP 26 CO 0.45 0.00 -0.27 -0.55 -2.88 0.00 0.00 179.24 175.99 1ss6 h ASN 27 N 0.00 0.00 0.00 2.28 7.08 -1.93 -3.49 115.58 119.52 1ss6 h ASN 27 Ca 0.00 -0.06 0.00 0.00 -3.08 0.00 0.00 56.30 53.16 1ss6 h ASN 27 Cb 0.35 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.59 1ss6 h ASN 27 CO 0.00 0.03 0.00 0.61 -2.08 0.00 0.00 177.43 175.99 1ss6 n GLY 28 N 1.27 1.52 0.00 9.14 0.00 -1.19 -5.11 105.19 110.82 1ss6 n GLY 28 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 1.26 -2.60 1.61 1.02 -1.26 -4.07 120.64 116.60 1ss6 n GLU 29 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 1ss6 n GLU 29 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 1ss6 n GLU 29 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ss6 s LEU 30 N 0.00 4.05 -0.16 -4.62 0.20 -1.26 -4.30 118.68 112.59 1ss6 s LEU 30 Ca 0.00 1.32 -0.03 0.00 0.69 0.00 0.00 54.13 56.11 1ss6 s LEU 30 Cb 0.00 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.20 1ss6 s LEU 30 CO 0.00 -0.77 -0.07 -0.13 -0.29 0.00 0.00 176.35 175.09 1ss6 s ARG 31 N 3.44 3.53 0.20 1.98 0.52 -0.15 -4.89 118.95 123.58 1ss6 s ARG 31 Ca 0.47 -0.59 -0.30 0.00 -0.52 0.00 0.00 55.73 54.78 1ss6 s ARG 31 Cb -0.15 -2.84 -0.09 0.00 0.52 0.00 0.00 34.95 32.39 1ss6 s ARG 31 CO 0.11 0.16 1.40 0.45 0.02 0.00 0.00 175.30 177.44 1ss6 s SER 32 N 0.54 6.76 0.65 0.23 0.15 -1.26 -1.38 113.70 119.39 1ss6 s SER 32 Ca -0.05 2.51 0.35 0.00 0.70 0.00 0.00 55.95 59.46 1ss6 s SER 32 Cb -0.15 -2.61 1.88 0.00 -1.71 0.00 0.00 66.02 63.44 1ss6 s SER 32 CO 0.03 -0.65 2.06 1.88 1.20 0.00 0.00 173.24 177.76 1ss6 h TYR 33 N 5.63 0.00 -0.19 3.44 0.05 -1.48 0.20 116.97 124.62 1ss6 h TYR 33 Ca -0.45 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.20 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 0.62 0.00 -0.46 1.96 -1.05 0.00 0.00 178.16 179.23 1ss6 h GLN 34 N 0.00 0.47 -6.46 4.88 1.08 -1.90 -3.41 115.11 109.78 1ss6 h GLN 34 Ca 0.00 -0.26 -0.53 0.00 -1.45 0.00 0.00 58.65 56.41 1ss6 h GLN 34 Cb 0.42 0.01 0.03 0.00 -0.05 0.00 0.00 27.48 27.90 1ss6 h GLN 34 CO 0.00 0.83 1.16 -3.47 -0.95 0.00 0.00 178.83 176.40 1ss6 n ASP 35 N -4.00 4.10 0.18 1.46 2.03 0.69 -4.86 116.55 116.16 1ss6 n ASP 35 Ca -0.02 0.96 0.13 0.00 0.52 0.00 0.00 54.79 56.38 1ss6 n ASP 35 Cb 0.54 -1.54 0.64 0.00 -0.72 0.00 0.00 41.12 40.04 1ss6 n ASP 35 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1ss6 h PRO 36 N 9.26 0.00 0.06 -0.67 0.11 -1.87 -1.89 132.00 137.00 1ss6 h PRO 36 Ca -0.48 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.39 1ss6 h PRO 36 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ss6 h PRO 36 CO 0.95 0.00 -1.07 1.03 -0.21 0.00 0.00 178.00 178.70 1ss6 h SER 37 N 0.00 0.50 0.73 -2.05 0.87 -1.94 -3.29 113.55 108.37 1ss6 h SER 37 Ca 0.00 -0.45 -0.04 0.00 -1.23 0.00 0.00 61.79 60.07 1ss6 h SER 37 Cb 0.13 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1ss6 h SER 37 CO 0.00 1.29 -1.30 -0.46 -0.53 0.00 0.00 176.83 175.82 1ss6 n ASN 38 N -3.67 0.67 -0.33 6.23 0.23 -0.91 -3.79 115.26 113.69 1ss6 n ASN 38 Ca -0.08 0.27 0.29 0.00 -0.53 0.00 0.00 54.58 54.53 1ss6 n ASN 38 Cb 0.91 0.70 0.62 0.00 -2.08 0.00 0.00 39.78 39.93 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 1.87 2.64 0.21 -2.53 0.00 -1.42 0.15 119.26 120.16 1ss6 h ALA 39 Ca -0.05 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ss6 h ALA 39 Cb 1.14 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1ss6 h ALA 39 CO 0.01 -1.03 -0.47 0.37 0.00 0.00 0.00 179.25 178.12 1ss6 h GLN 40 N 0.21 -0.74 -0.14 0.00 4.15 -1.67 -2.20 115.11 114.71 1ss6 h GLN 40 Ca 0.60 0.05 0.04 0.00 0.77 0.00 0.00 58.65 60.11 1ss6 h GLN 40 Cb 1.90 0.17 -0.04 0.00 0.21 0.00 0.00 27.48 29.72 1ss6 h GLN 40 CO -0.19 -0.49 -0.13 0.74 -1.93 0.00 0.00 178.83 176.83 1ss6 h PHE 41 N -0.77 -0.33 -0.63 3.99 0.04 -0.95 0.14 116.94 118.43 1ss6 h PHE 41 Ca -0.01 0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.88 1ss6 h PHE 41 Cb 0.75 0.17 -0.11 0.00 2.20 0.00 0.00 35.95 38.96 1ss6 h PHE 41 CO -0.37 -0.19 -0.41 -0.07 -0.60 0.00 0.00 178.31 176.66 1ss6 h LEU 42 N -0.15 -1.44 0.39 1.54 4.07 -1.25 0.43 115.31 118.91 1ss6 h LEU 42 Ca 0.09 0.25 -0.02 0.00 0.08 0.00 0.00 57.88 58.29 1ss6 h LEU 42 Cb 0.29 0.67 0.00 0.00 1.08 0.00 0.00 40.66 42.71 1ss6 h LEU 42 CO -0.23 -0.32 -0.19 -0.08 -1.08 0.00 0.00 178.44 176.54 1ss6 h GLU 43 N -0.19 -0.51 -0.71 1.13 4.57 -0.88 -1.52 114.58 116.48 1ss6 h GLU 43 Ca 0.20 0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.48 1ss6 h GLU 43 Cb 0.56 0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 29.21 1ss6 h GLU 43 CO -0.72 -0.21 0.40 0.77 -1.18 0.00 0.00 179.01 178.08 1ss6 h SER 44 N -0.82 0.61 0.59 1.04 0.02 -0.32 -1.37 113.55 113.30 1ss6 h SER 44 Ca -0.05 0.03 -0.18 0.00 -0.84 0.00 0.00 61.79 60.74 1ss6 h SER 44 Cb 0.54 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1ss6 h SER 44 CO 0.09 0.39 -0.81 0.40 -1.14 0.00 0.00 176.83 175.76 1ss6 h ILE 45 N 0.74 1.49 0.00 3.27 2.04 -0.16 0.43 117.51 125.32 1ss6 h ILE 45 Ca 0.32 -2.52 -0.06 0.00 1.00 0.00 0.00 64.86 63.59 1ss6 h ILE 45 Cb 0.19 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1ss6 h ILE 45 CO -0.18 0.73 -0.28 0.08 0.00 0.00 0.00 178.15 178.50 1ss6 h ARG 46 N 0.10 0.00 0.00 2.37 0.11 -0.91 -2.38 114.38 113.67 1ss6 h ARG 46 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1ss6 h ARG 46 Cb 1.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.49 1ss6 h ARG 46 CO 0.12 0.28 -0.29 0.54 0.10 0.00 0.00 179.97 180.72 1ss6 n ARG 47 N -3.49 0.16 -0.43 0.08 5.12 -0.55 -4.93 116.66 112.62 1ss6 n ARG 47 Ca -0.00 0.08 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 1ss6 n ARG 47 Cb 0.45 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 1ss6 n ARG 47 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ss6 n GLY 48 N 1.40 0.77 3.95 -0.13 0.00 -0.56 -5.07 105.19 105.55 1ss6 n GLY 48 Ca 0.05 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.63 2.77 -0.23 1.61 2.02 0.14 -4.98 118.70 119.40 1ss6 s GLU 49 Ca 0.00 -0.44 -0.02 0.00 0.02 0.00 0.00 54.97 54.53 1ss6 s GLU 49 Cb 0.00 -2.43 0.01 0.00 0.10 0.00 0.00 34.13 31.82 1ss6 s GLU 49 CO 0.00 -0.62 -0.07 0.08 0.02 0.00 0.00 175.26 174.68 1ss6 s VAL 50 N -2.80 3.00 0.44 2.63 1.01 -1.26 -3.92 120.40 119.50 1ss6 s VAL 50 Ca 0.54 -0.81 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 1ss6 s VAL 50 Cb -0.10 -2.43 -0.08 0.00 0.00 0.00 0.00 36.38 33.76 1ss6 s VAL 50 CO 0.40 0.32 1.32 -2.84 0.00 0.00 0.00 175.10 174.31 1ss6 s PRO 51 N 1.38 3.75 0.25 2.72 0.02 -1.26 -4.86 135.00 137.00 1ss6 s PRO 51 Ca 0.03 2.18 0.23 0.00 0.02 0.00 0.00 61.00 63.46 1ss6 s PRO 51 Cb -0.15 -2.61 0.96 0.00 0.02 0.00 0.00 34.50 32.72 1ss6 s PRO 51 CO -0.05 -0.68 1.70 0.00 -0.33 0.00 0.00 177.00 177.64 1ss6 n ALA 52 N -0.20 1.66 -0.06 -1.55 0.00 -1.26 -1.47 120.51 117.63 1ss6 n ALA 52 Ca 0.05 0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 1ss6 n ALA 52 Cb 0.44 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 1ss6 n ALA 52 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ss6 h GLU 53 N 0.00 0.33 0.14 0.00 3.07 -1.91 0.48 114.58 116.69 1ss6 h GLU 53 Ca 0.00 -0.05 -0.36 0.00 -0.50 0.00 0.00 59.36 58.45 1ss6 h GLU 53 Cb 0.36 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1ss6 h GLU 53 CO 0.00 0.35 -1.92 1.37 -1.40 0.00 0.00 179.01 177.41 1ss6 h LEU 54 N 0.23 0.46 0.70 1.33 -0.00 -1.89 -3.31 115.31 112.83 1ss6 h LEU 54 Ca 0.08 -0.95 -0.03 0.00 -0.00 0.00 0.00 57.88 56.98 1ss6 h LEU 54 Cb 0.13 -0.15 0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1ss6 h LEU 54 CO -0.01 1.84 -0.34 -0.09 -0.00 0.00 0.00 178.44 179.84 1ss6 h ARG 55 N 0.06 -0.91 -1.98 0.17 9.65 -1.32 -1.94 114.38 118.10 1ss6 h ARG 55 Ca -0.40 0.06 -0.18 0.00 -1.10 0.00 0.00 59.98 58.36 1ss6 h ARG 55 Cb 2.03 0.21 -0.07 0.00 -1.39 0.00 0.00 29.97 30.75 1ss6 h ARG 55 CO 0.10 -0.59 -0.20 -2.13 2.80 0.00 0.00 179.97 179.96 1ss6 n ARG 56 N -5.47 1.81 0.02 0.20 3.00 0.16 -3.04 116.66 113.34 1ss6 n ARG 56 Ca -0.14 -0.93 0.00 0.00 -0.00 0.00 0.00 57.85 56.78 1ss6 n ARG 56 Cb 0.39 -1.78 0.00 0.00 0.00 0.00 0.00 32.46 31.07 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 2.04 0.09 -4.73 6.15 7.94 -0.77 -4.83 117.00 122.89 1ss6 n LEU 57 Ca 0.34 0.06 -0.42 0.00 -1.11 0.00 0.00 56.01 54.87 1ss6 n LEU 57 Cb 0.78 0.01 -0.01 0.00 0.53 0.00 0.00 43.42 44.72 1ss6 n LEU 57 CO 0.12 -0.33 1.09 0.00 -1.11 0.00 0.00 177.39 177.16 1ss6 n ALA 58 N -2.89 1.97 -3.21 1.96 0.00 -0.94 -4.95 120.51 112.45 1ss6 n ALA 58 Ca 0.00 0.37 -0.45 0.00 0.00 0.00 0.00 53.44 53.36 1ss6 n ALA 58 Cb 0.21 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.30 1ss6 n ALA 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ss6 n HIS 59 N 1.12 4.79 0.00 0.00 8.25 -1.17 -4.16 115.22 124.05 1ss6 n HIS 59 Ca 0.06 -3.63 0.00 0.00 -0.26 0.00 0.00 57.72 53.89 1ss6 n HIS 59 Cb 0.36 -1.73 0.00 0.00 1.12 0.00 0.00 29.99 29.75 1ss6 n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ss6 n GLY 60 N 2.71 0.77 0.00 -1.41 0.00 -1.26 -0.17 105.19 105.83 1ss6 n GLY 60 Ca 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 1.80 3.69 -0.02 0.00 -1.26 -4.87 105.19 104.53 1ss6 n GLY 61 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.85 4.31 -0.24 1.61 0.74 -1.26 -4.96 119.66 119.00 1ss6 s GLN 62 Ca 0.00 1.89 -0.01 0.00 0.05 0.00 0.00 55.36 57.29 1ss6 s GLN 62 Cb 0.00 -3.53 0.07 0.00 1.10 0.00 0.00 33.01 30.66 1ss6 s GLN 62 CO 0.00 -0.51 0.03 0.08 -0.55 0.00 0.00 175.29 174.34 1ss6 s VAL 63 N 2.15 0.92 -0.32 1.34 1.01 -1.26 -0.67 120.40 123.57 1ss6 s VAL 63 Ca 0.62 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 1ss6 s VAL 63 Cb -0.30 -1.45 0.06 0.00 0.00 0.00 0.00 36.38 34.69 1ss6 s VAL 63 CO 0.26 -0.33 0.03 0.21 0.00 0.00 0.00 175.10 175.27 1ss6 s ASN 64 N 1.65 4.93 -0.16 3.32 3.04 0.05 -5.00 114.94 122.77 1ss6 s ASN 64 Ca 0.01 -1.44 -0.05 0.00 0.04 0.00 0.00 52.86 51.42 1ss6 s ASN 64 Cb -0.18 -1.72 -0.03 0.00 -1.54 0.00 0.00 41.25 37.78 1ss6 s ASN 64 CO -0.13 -0.31 0.01 -0.22 -3.04 0.00 0.00 177.10 173.42 1ss6 s LEU 65 N 1.21 3.56 0.03 3.21 2.96 -1.26 0.72 118.68 129.11 1ss6 s LEU 65 Ca -0.02 0.01 0.08 0.00 -0.22 0.00 0.00 54.13 53.98 1ss6 s LEU 65 Cb -0.20 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 1ss6 s LEU 65 CO -0.02 0.20 -0.23 -1.81 -1.32 0.00 0.00 176.35 173.18 1ss6 s ASP 66 N 0.17 3.44 -0.12 3.68 1.01 0.46 -4.93 116.67 120.39 1ss6 s ASP 66 Ca 0.01 -0.49 -0.02 0.00 0.71 0.00 0.00 52.55 52.76 1ss6 s ASP 66 Cb -0.13 -0.45 -0.03 0.00 1.01 0.00 0.00 42.92 43.33 1ss6 s ASP 66 CO 0.02 0.27 -0.04 -0.04 0.21 0.00 0.00 175.17 175.59 1ss6 s MET 67 N -1.22 3.33 0.21 8.23 -1.94 -1.26 0.51 119.30 127.17 1ss6 s MET 67 Ca 0.13 -0.51 0.11 0.00 -1.71 0.00 0.00 55.69 53.71 1ss6 s MET 67 Cb -0.10 -2.81 -0.04 0.00 2.01 0.00 0.00 34.83 33.88 1ss6 s MET 67 CO 0.03 0.42 -0.19 -1.21 -0.01 0.00 0.00 175.02 174.06 1ss6 s GLU 68 N -0.13 1.70 -0.24 2.03 2.02 0.18 -4.96 118.70 119.30 1ss6 s GLU 68 Ca 0.03 -1.51 -0.01 0.00 0.02 0.00 0.00 54.97 53.49 1ss6 s GLU 68 Cb -0.13 -1.91 0.02 0.00 0.10 0.00 0.00 34.13 32.21 1ss6 s GLU 68 CO 0.02 0.39 -0.08 0.34 0.02 0.00 0.00 175.26 175.96 1ss6 s ASP 69 N -2.91 4.14 0.07 -0.19 -1.08 -1.26 -1.17 116.67 114.27 1ss6 s ASP 69 Ca 0.24 -0.80 0.00 0.00 -0.52 0.00 0.00 52.55 51.47 1ss6 s ASP 69 Cb -0.07 -1.64 0.00 0.00 -1.46 0.00 0.00 42.92 39.74 1ss6 s ASP 69 CO 0.12 -0.10 0.00 1.41 0.52 0.00 0.00 175.17 177.13 1ss6 n HIS 70 N 4.67 -0.43 0.00 -5.34 8.25 -0.57 -4.94 115.22 116.85 1ss6 n HIS 70 Ca -0.17 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1ss6 n HIS 70 Cb 0.48 0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.82 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 -3.04 0.00 0.00 -0.41 1.74 0.20 -2.25 116.66 112.90 1ss6 n ARG 71 Ca 0.00 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 1ss6 n ARG 71 Cb 0.18 0.00 0.54 0.00 -1.02 0.00 0.00 32.46 32.16 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 1.54 0.00 0.21 0.55 8.00 -1.26 -1.32 116.55 124.27 1ss6 n ASP 72 Ca 0.00 -0.46 0.13 0.00 0.71 0.00 0.00 54.79 55.16 1ss6 n ASP 72 Cb 0.00 -0.06 0.25 0.00 -0.02 0.00 0.00 41.12 41.28 1ss6 n ASP 72 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1ss6 h GLU 73 N 0.00 0.00 -2.57 -1.24 5.08 -1.83 -3.50 114.58 110.52 1ss6 h GLU 73 Ca 0.00 0.00 0.31 0.00 -1.00 0.00 0.00 59.36 58.67 1ss6 h GLU 73 Cb 0.04 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.20 1ss6 h GLU 73 CO 0.00 0.00 -0.47 -3.47 -1.00 0.00 0.00 179.01 174.07 1ss6 n ASP 74 N -3.01 -6.81 -4.75 1.42 2.03 -0.44 -4.89 116.55 100.10 1ss6 n ASP 74 Ca 0.04 0.52 -0.40 0.00 0.52 0.00 0.00 54.79 55.46 1ss6 n ASP 74 Cb 0.49 -3.50 -0.06 0.00 -0.72 0.00 0.00 41.12 37.34 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 -2.15 3.91 -0.30 -0.67 5.36 -1.26 -4.86 117.98 118.01 1ss6 s PHE 75 Ca 0.00 1.87 -0.12 0.00 -0.96 0.00 0.00 56.93 57.72 1ss6 s PHE 75 Cb 0.00 -3.04 0.18 0.00 -0.34 0.00 0.00 43.02 39.82 1ss6 s PHE 75 CO 0.00 0.27 0.99 0.54 -1.46 0.00 0.00 175.22 175.56 1ss6 s VAL 76 N -1.04 -0.42 0.00 3.12 0.11 -1.26 -5.10 120.40 115.81 1ss6 s VAL 76 Ca 0.42 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 1ss6 s VAL 76 Cb -0.27 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.58 1ss6 s VAL 76 CO 0.33 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 173.27 1ss6 n LYS 77 N 5.43 0.00 0.20 1.54 4.81 -1.26 -4.75 118.16 124.14 1ss6 n LYS 77 Ca -0.06 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.52 1ss6 n LYS 77 Cb 0.53 0.00 0.70 0.00 0.02 0.00 0.00 35.03 36.28 1ss6 n LYS 77 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1ss6 h PRO 78 N 0.00 0.00 -0.32 1.64 0.13 -1.84 -0.61 132.00 131.00 1ss6 h PRO 78 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1ss6 h PRO 78 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1ss6 h PRO 78 CO 0.00 0.00 -0.04 0.87 -0.23 0.00 0.00 178.00 178.60 1ss6 h LYS 79 N 0.00 0.60 -3.11 0.86 1.79 -1.93 -3.30 116.57 111.48 1ss6 h LYS 79 Ca 0.00 -0.21 -0.79 0.00 -2.18 0.00 0.00 60.65 57.47 1ss6 h LYS 79 Cb 0.18 -0.04 -0.24 0.00 -1.58 0.00 0.00 32.23 30.55 1ss6 h LYS 79 CO 0.00 0.76 1.20 0.41 -1.08 0.00 0.00 179.45 180.73 1ss6 n GLY 80 N -0.25 5.04 5.50 3.86 0.00 -0.24 -4.91 105.19 114.19 1ss6 n GLY 80 Ca -0.02 -2.48 0.00 0.00 0.00 0.00 0.00 46.02 43.52 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 2.17 0.00 -1.08 4.61 0.00 -1.24 -3.32 120.51 121.64 1ss6 n ALA 81 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1ss6 n ALA 81 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1ss6 n ALA 81 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ss6 n PHE 82 N 0.00 0.00 1.02 0.00 3.72 -1.25 -4.73 117.46 116.21 1ss6 n PHE 82 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 1ss6 n PHE 82 Cb 0.00 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 38.64 1ss6 n PHE 82 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1ss6 n LYS 83 N -0.52 0.12 0.00 -1.08 2.85 -1.26 -3.24 118.16 115.03 1ss6 n LYS 83 Ca 0.00 -0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.17 1ss6 n LYS 83 Cb 0.00 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 1ss6 n LYS 83 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ss6 n ALA 84 N -1.37 0.00 -3.64 0.58 0.00 -1.21 -4.74 120.51 110.14 1ss6 n ALA 84 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.39 1ss6 n ALA 84 Cb 0.34 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.72 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 0.00 -0.54 -0.05 0.00 -0.71 -1.26 -5.03 117.98 110.39 1ss6 s PHE 85 Ca 0.00 1.31 0.18 0.00 -1.04 0.00 0.00 56.93 57.37 1ss6 s PHE 85 Cb 0.00 0.34 0.35 0.00 -1.21 0.00 0.00 43.02 42.50 1ss6 s PHE 85 CO 0.00 -0.26 1.58 1.15 -1.34 0.00 0.00 175.22 176.35 1ss6 h THR 86 N 3.67 0.78 0.00 -4.49 2.02 -1.97 -3.48 112.91 109.44 1ss6 h THR 86 Ca -0.28 -1.84 0.00 0.00 0.77 0.00 0.00 66.41 65.05 1ss6 h THR 86 Cb 1.17 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 69.78 1ss6 h THR 86 CO 0.10 0.40 0.00 0.61 0.37 0.00 0.00 175.52 177.00 1ss6 n GLY 87 N 0.84 2.21 0.33 2.16 0.00 -1.26 -4.33 105.19 105.14 1ss6 n GLY 87 Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1ss6 n GLY 87 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ss6 h GLU 88 N 0.00 0.99 0.00 1.61 4.57 -2.05 -3.48 114.58 116.21 1ss6 h GLU 88 Ca 0.00 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1ss6 h GLU 88 Cb 0.00 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.40 1ss6 h GLU 88 CO 0.00 0.75 0.00 0.41 -1.18 0.00 0.00 179.01 178.99 1ss6 n GLY 89 N -1.13 3.12 0.00 1.92 0.00 -1.26 -4.82 105.19 103.02 1ss6 n GLY 89 Ca 0.07 -1.61 0.08 0.00 0.00 0.00 0.00 46.02 44.56 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 0.31 0.97 -0.09 1.61 10.64 -1.26 -4.45 117.38 125.11 1ss6 n GLN 90 Ca 0.00 -0.08 -0.17 0.00 -1.83 0.00 0.00 57.00 54.92 1ss6 n GLN 90 Cb 0.00 -1.35 -0.11 0.00 -0.86 0.00 0.00 30.24 27.91 1ss6 n GLN 90 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1ss6 h LYS 91 N 0.00 0.00 -6.47 2.61 1.63 -1.90 -3.48 116.57 108.96 1ss6 h LYS 91 Ca 0.00 0.00 -0.49 0.00 -0.85 0.00 0.00 60.65 59.31 1ss6 h LYS 91 Cb 0.60 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.21 1ss6 h LYS 91 CO 0.00 0.91 -0.91 -0.11 -3.45 0.00 0.00 179.45 175.90 1ss6 n LEU 92 N -4.53 -2.25 0.00 5.20 7.94 -1.26 -4.88 117.00 117.21 1ss6 n LEU 92 Ca -0.20 -1.03 0.00 0.00 -1.11 0.00 0.00 56.01 53.67 1ss6 n LEU 92 Cb 0.54 -2.22 0.00 0.00 0.53 0.00 0.00 43.42 42.27 1ss6 n LEU 92 CO 0.24 0.46 0.00 0.61 -1.11 0.00 0.00 177.39 177.59 1ss6 n GLY 93 N -1.93 -1.25 0.78 -3.96 0.00 -1.26 -5.09 105.19 92.47 1ss6 n GLY 93 Ca -0.26 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1ss6 n GLY 93 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ss6 n SER 94 N 0.00 -4.33 -0.30 1.61 7.64 -1.26 -4.84 113.62 112.14 1ss6 n SER 94 Ca 0.00 0.44 0.09 0.00 1.01 0.00 0.00 58.87 60.41 1ss6 n SER 94 Cb 0.00 -1.54 0.26 0.00 -1.01 0.00 0.00 64.21 61.91 1ss6 n SER 94 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1ss6 h THR 95 N 1.16 0.66 -1.75 0.44 2.02 -1.99 -3.47 112.91 109.97 1ss6 h THR 95 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1ss6 h THR 95 Cb 0.00 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 1ss6 h THR 95 CO 0.00 0.11 -0.34 0.00 0.37 0.00 0.00 175.52 175.65 1ss6 n ALA 96 N -2.43 -2.66 -1.03 6.16 0.00 -1.26 -4.86 120.51 114.43 1ss6 n ALA 96 Ca 0.19 0.17 -0.31 0.00 0.00 0.00 0.00 53.44 53.49 1ss6 n ALA 96 Cb 0.51 -0.84 0.12 0.00 0.00 0.00 0.00 19.45 19.23 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 -2.88 1.74 0.00 0.00 0.02 -1.26 -5.04 135.00 127.58 1ss6 s PRO 97 Ca 0.00 1.35 0.00 0.00 0.02 0.00 0.00 61.00 62.37 1ss6 s PRO 97 Cb 0.00 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.70 1ss6 s PRO 97 CO 0.00 -2.06 0.00 0.94 -0.33 0.00 0.00 177.00 175.55 1ss6 n GLN 98 N -3.79 0.00 0.00 5.54 -0.06 -1.26 -4.74 117.38 113.07 1ss6 n GLN 98 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.10 1ss6 n GLN 98 Cb 0.53 -0.05 0.00 0.00 -4.06 0.00 0.00 30.24 26.66 1ss6 n GLN 98 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1ss6 n VAL 99 N 0.00 0.00 0.00 1.69 0.31 -1.26 -4.60 118.33 114.47 1ss6 n VAL 99 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ss6 n VAL 99 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1ss6 n VAL 99 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1ss6 n LEU 100 N 0.00 0.00 -1.79 7.52 7.94 -1.26 -5.00 117.00 124.41 1ss6 n LEU 100 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 1ss6 n LEU 100 Cb 0.00 0.00 0.03 0.00 0.53 0.00 0.00 43.42 43.98 1ss6 n LEU 100 CO 0.00 0.00 1.14 -1.20 -1.11 0.00 0.00 177.39 176.22 1ss6 n SER 101 N 0.00 5.98 0.00 1.96 7.64 -1.26 -5.07 113.62 122.87 1ss6 n SER 101 Ca 0.00 -2.91 0.00 0.00 1.01 0.00 0.00 58.87 56.97 1ss6 n SER 101 Cb 0.00 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 1ss6 n SER 101 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44