#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lds s ILE 1 N 0.00 0.01 -0.01 3.17 2.07 -1.26 -5.16 121.20 120.02 1lds s ILE 1 Ca 0.00 -0.06 0.01 0.00 -1.41 0.00 0.00 60.65 59.19 1lds s ILE 1 Cb 0.00 -0.56 0.00 0.00 0.13 0.00 0.00 42.46 42.03 1lds s ILE 1 CO 0.00 -0.03 -0.04 0.00 -1.91 0.00 0.00 174.94 172.96 1lds s GLN 2 N -0.02 0.40 -0.04 3.50 -2.07 -1.26 -4.38 119.66 115.79 1lds s GLN 2 Ca -0.02 -0.11 0.01 0.00 -1.82 0.00 0.00 55.36 53.42 1lds s GLN 2 Cb -0.03 -0.42 0.02 0.00 -1.09 0.00 0.00 33.01 31.49 1lds s GLN 2 CO 0.01 0.04 -0.06 1.03 -1.32 0.00 0.00 175.29 174.99 1lds s ARG 3 N 0.19 0.88 0.23 9.60 1.81 0.38 -4.94 118.95 127.10 1lds s ARG 3 Ca -0.02 -0.15 -0.30 0.00 -1.72 0.00 0.00 55.73 53.54 1lds s ARG 3 Cb -0.05 -0.85 -0.09 0.00 -0.45 0.00 0.00 34.95 33.51 1lds s ARG 3 CO -0.00 -0.04 1.18 -0.08 -0.68 0.00 0.00 175.30 175.68 1lds s THR 4 N 0.74 3.44 0.45 0.02 -1.32 -1.26 -2.28 115.64 115.43 1lds s THR 4 Ca -0.10 1.30 -0.23 0.00 -1.21 0.00 0.00 61.69 61.45 1lds s THR 4 Cb -0.13 -3.83 -0.08 0.00 -1.51 0.00 0.00 72.50 66.95 1lds s THR 4 CO 0.01 0.25 1.11 -2.16 -2.21 0.00 0.00 174.62 171.62 1lds s PRO 5 N -0.74 3.85 0.12 7.08 0.04 -1.26 -4.66 135.00 139.42 1lds s PRO 5 Ca 0.50 1.64 -0.20 0.00 0.04 0.00 0.00 61.00 62.97 1lds s PRO 5 Cb -0.33 -2.38 -0.07 0.00 0.04 0.00 0.00 34.50 31.76 1lds s PRO 5 CO 0.40 -0.44 0.63 0.21 0.04 0.00 0.00 177.00 177.83 1lds s LYS 6 N -2.75 4.27 -0.11 4.56 2.20 -0.44 -4.87 119.74 122.60 1lds s LYS 6 Ca 0.63 0.82 0.01 0.00 -0.36 0.00 0.00 55.97 57.07 1lds s LYS 6 Cb -0.25 -3.18 0.02 0.00 -1.51 0.00 0.00 37.83 32.91 1lds s LYS 6 CO 0.30 0.59 -0.11 0.42 -0.36 0.00 0.00 175.35 176.18 1lds s ILE 7 N -1.19 1.24 -0.06 5.43 1.01 -1.26 -0.90 121.20 125.47 1lds s ILE 7 Ca 0.33 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.54 1lds s ILE 7 Cb -0.20 -1.18 0.01 0.00 0.01 0.00 0.00 42.46 41.10 1lds s ILE 7 CO 0.21 0.40 -0.12 -1.10 0.00 0.00 0.00 174.94 174.33 1lds s GLN 8 N 1.27 1.57 -0.15 2.79 -0.21 -0.52 -4.98 119.66 119.43 1lds s GLN 8 Ca -0.02 -0.40 0.01 0.00 0.02 0.00 0.00 55.36 54.97 1lds s GLN 8 Cb -0.14 -1.33 0.00 0.00 1.00 0.00 0.00 33.01 32.55 1lds s GLN 8 CO -0.04 0.05 -0.18 0.08 -2.12 0.00 0.00 175.29 173.08 1lds s VAL 9 N 0.56 2.42 0.27 1.09 1.01 -1.26 -0.53 120.40 123.96 1lds s VAL 9 Ca -0.12 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 1lds s VAL 9 Cb -0.14 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1lds s VAL 9 CO 0.03 0.53 0.55 -0.72 0.00 0.00 0.00 175.10 175.49 1lds s TYR 10 N 0.83 0.30 0.14 5.22 1.13 -0.72 -4.44 117.35 119.81 1lds s TYR 10 Ca -0.06 -0.69 0.11 0.00 -1.41 0.00 0.00 57.07 55.02 1lds s TYR 10 Cb -0.15 0.32 -0.04 0.00 -1.10 0.00 0.00 41.96 40.98 1lds s TYR 10 CO -0.01 -1.10 -0.25 -1.54 -2.51 0.00 0.00 175.55 170.13 1lds s SER 11 N -3.02 3.41 -0.04 -0.18 1.04 -1.26 -0.24 113.70 113.41 1lds s SER 11 Ca 0.20 -0.75 -0.06 0.00 0.48 0.00 0.00 55.95 55.82 1lds s SER 11 Cb -0.02 -0.26 0.01 0.00 0.10 0.00 0.00 66.02 65.85 1lds s SER 11 CO 0.10 0.17 0.15 -0.13 0.98 0.00 0.00 173.24 174.51 1lds s ARG 12 N -2.19 0.29 -0.22 4.02 1.81 -0.50 -4.96 118.95 117.20 1lds s ARG 12 Ca 0.16 0.00 -0.05 0.00 -1.72 0.00 0.00 55.73 54.12 1lds s ARG 12 Cb -0.10 0.13 -0.02 0.00 -0.45 0.00 0.00 34.95 34.51 1lds s ARG 12 CO 0.07 -0.05 0.00 -1.01 -0.68 0.00 0.00 175.30 173.63 1lds s HIS 13 N -0.43 3.02 0.16 -0.53 3.76 -1.26 -0.55 115.29 119.46 1lds s HIS 13 Ca -0.05 -0.60 -0.31 0.00 -0.15 0.00 0.00 55.06 53.94 1lds s HIS 13 Cb -0.03 -2.13 -0.10 0.00 1.11 0.00 0.00 32.58 31.43 1lds s HIS 13 CO 0.01 -0.37 1.54 -1.25 -0.85 0.00 0.00 174.74 173.82 1lds s PRO 14 N 1.30 4.23 0.48 8.40 0.04 -1.26 -4.87 135.00 143.34 1lds s PRO 14 Ca 0.04 2.32 0.18 0.00 0.04 0.00 0.00 61.00 63.58 1lds s PRO 14 Cb -0.15 -3.16 1.19 0.00 0.04 0.00 0.00 34.50 32.42 1lds s PRO 14 CO 0.01 -0.57 2.02 0.00 0.04 0.00 0.00 177.00 178.49 1lds h ALA 15 N 6.71 2.17 0.00 8.56 0.00 -1.96 -0.12 119.26 134.63 1lds h ALA 15 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1lds h ALA 15 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1lds h ALA 15 CO 0.90 -0.29 0.00 0.39 0.00 0.00 0.00 179.25 180.25 1lds n GLU 16 N -4.45 0.07 -2.96 0.00 1.02 -1.26 -4.09 120.64 108.97 1lds n GLU 16 Ca 0.07 0.12 -0.15 0.00 -0.02 0.00 0.00 57.16 57.18 1lds n GLU 16 Cb 0.40 -1.60 -0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1lds n GLU 16 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1lds n ASN 17 N -1.72 -1.39 -0.20 1.62 4.05 -0.11 -5.02 115.26 112.48 1lds n ASN 17 Ca 0.06 -3.05 0.30 0.00 0.45 0.00 0.00 54.58 52.34 1lds n ASN 17 Cb 0.32 0.67 0.73 0.00 1.23 0.00 0.00 39.78 42.72 1lds n ASN 17 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 1lds h GLY 18 N 3.91 0.00 1.91 8.20 0.00 -1.56 -1.29 103.07 114.24 1lds h GLY 18 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 1lds h GLY 18 CO 0.38 0.00 -0.36 0.50 0.00 0.00 0.00 176.54 177.07 1lds h LYS 19 N 0.00 0.10 -6.88 4.80 1.57 -1.96 -3.44 116.57 110.78 1lds h LYS 19 Ca 0.45 -0.04 -0.50 0.00 -1.87 0.00 0.00 60.65 58.69 1lds h LYS 19 Cb 1.92 -0.01 0.03 0.00 0.08 0.00 0.00 32.23 34.25 1lds h LYS 19 CO -0.00 0.45 0.50 -1.12 -0.57 0.00 0.00 179.45 178.71 1lds s SER 20 N -6.91 6.92 -0.03 0.86 0.01 -0.49 -5.05 113.70 109.02 1lds s SER 20 Ca -0.04 2.32 0.03 0.00 1.31 0.00 0.00 55.95 59.57 1lds s SER 20 Cb 0.14 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1lds s SER 20 CO 0.74 -0.39 -0.11 0.21 0.41 0.00 0.00 173.24 174.10 1lds s ASN 21 N -0.99 1.47 -0.06 2.44 3.84 -1.26 -4.00 114.94 116.38 1lds s ASN 21 Ca 0.50 -0.23 0.05 0.00 0.21 0.00 0.00 52.86 53.39 1lds s ASN 21 Cb -0.31 -0.41 -0.01 0.00 -0.55 0.00 0.00 41.25 39.97 1lds s ASN 21 CO 0.40 0.09 -0.22 -0.36 -2.79 0.00 0.00 177.10 174.22 1lds s PHE 22 N 0.18 2.17 -0.18 0.43 0.40 0.28 -1.05 117.98 120.21 1lds s PHE 22 Ca -0.04 -0.67 -0.19 0.00 -0.60 0.00 0.00 56.93 55.44 1lds s PHE 22 Cb -0.10 -1.44 -0.03 0.00 0.51 0.00 0.00 43.02 41.96 1lds s PHE 22 CO 0.01 -0.22 0.52 -1.17 0.70 0.00 0.00 175.22 175.06 1lds s LEU 23 N -0.03 4.17 -0.00 -0.37 2.96 -0.28 -1.42 118.68 123.71 1lds s LEU 23 Ca -0.05 0.72 0.07 0.00 -0.22 0.00 0.00 54.13 54.65 1lds s LEU 23 Cb -0.13 -2.72 -0.02 0.00 0.50 0.00 0.00 46.19 43.81 1lds s LEU 23 CO 0.04 -0.15 -0.23 0.20 -1.32 0.00 0.00 176.35 174.88 1lds s ASN 24 N 1.06 3.37 -0.25 3.68 0.01 0.67 -2.14 114.94 121.34 1lds s ASN 24 Ca 0.25 -0.43 -0.00 0.00 -0.71 0.00 0.00 52.86 51.96 1lds s ASN 24 Cb -0.15 -0.47 0.07 0.00 0.41 0.00 0.00 41.25 41.11 1lds s ASN 24 CO 0.10 0.30 0.01 0.00 -1.51 0.00 0.00 177.10 176.00 1lds s TYR 26 N 1.54 3.23 -0.32 0.00 5.04 0.31 -1.42 117.35 125.73 1lds s TYR 26 Ca -0.00 -0.40 -0.07 0.00 -2.44 0.00 0.00 57.07 54.16 1lds s TYR 26 Cb -0.18 -2.49 0.02 0.00 0.35 0.00 0.00 41.96 39.66 1lds s TYR 26 CO -0.11 -0.45 0.10 0.08 -1.34 0.00 0.00 175.55 173.83 1lds s VAL 27 N 1.69 3.98 0.15 3.14 1.01 0.19 -1.43 120.40 129.13 1lds s VAL 27 Ca 0.05 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.28 1lds s VAL 27 Cb -0.18 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1lds s VAL 27 CO 0.10 -0.03 -0.19 -0.94 0.00 0.00 0.00 175.10 174.03 1lds s SER 28 N 1.48 2.72 -1.71 3.32 1.04 -0.08 -0.28 113.70 120.18 1lds s SER 28 Ca 0.01 -0.82 -0.01 0.00 0.48 0.00 0.00 55.95 55.61 1lds s SER 28 Cb -0.18 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.78 1lds s SER 28 CO 0.03 0.00 0.17 0.61 0.98 0.00 0.00 173.24 175.04 1lds n GLY 29 N 0.49 -0.49 3.96 7.32 0.00 -0.10 -1.33 105.19 115.04 1lds n GLY 29 Ca -0.15 0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 1lds n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1lds s PHE 30 N -3.08 3.45 -0.28 1.61 -0.71 -0.94 -4.70 117.98 113.33 1lds s PHE 30 Ca 0.09 0.14 -0.23 0.00 -1.04 0.00 0.00 56.93 55.89 1lds s PHE 30 Cb -0.04 -1.76 0.11 0.00 -1.21 0.00 0.00 43.02 40.12 1lds s PHE 30 CO 0.11 0.25 0.91 -1.58 -1.34 0.00 0.00 175.22 173.56 1lds s HIS 31 N -2.16 -0.63 1.17 3.49 2.46 -0.97 -1.39 115.29 117.26 1lds s HIS 31 Ca 0.38 1.46 -0.16 0.00 0.47 0.00 0.00 55.06 57.21 1lds s HIS 31 Cb -0.09 0.36 0.27 0.00 -0.13 0.00 0.00 32.58 32.99 1lds s HIS 31 CO 0.33 -0.31 1.06 -1.25 -2.47 0.00 0.00 174.74 172.10 1lds s PRO 32 N 0.54 -0.94 0.44 2.88 0.04 -1.26 -0.47 135.00 136.23 1lds s PRO 32 Ca -0.00 0.31 0.24 0.00 0.04 0.00 0.00 61.00 61.58 1lds s PRO 32 Cb -0.05 -1.60 0.91 0.00 0.04 0.00 0.00 34.50 33.80 1lds s PRO 32 CO -0.07 -3.60 1.82 0.66 0.04 0.00 0.00 177.00 175.85 1lds h SER 33 N -2.51 0.00 -2.03 6.66 4.64 -1.98 -3.45 113.55 114.88 1lds h SER 33 Ca -0.51 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.18 1lds h SER 33 Cb 1.32 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.46 1lds h SER 33 CO 0.44 0.23 0.71 0.47 -0.87 0.00 0.00 176.83 177.82 1lds n ASP 34 N -3.41 2.60 -3.51 4.97 9.92 -1.26 -4.94 116.55 120.93 1lds n ASP 34 Ca 0.00 1.09 -0.09 0.00 -0.53 0.00 0.00 54.79 55.25 1lds n ASP 34 Cb 0.43 -1.33 -0.03 0.00 -0.64 0.00 0.00 41.12 39.56 1lds n ASP 34 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1lds s ILE 35 N 1.11 0.00 -0.07 0.53 2.07 -1.26 -4.68 121.20 118.90 1lds s ILE 35 Ca 0.83 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.08 1lds s ILE 35 Cb -0.79 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 40.82 1lds s ILE 35 CO 0.43 0.00 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.68 1lds s GLU 36 N -2.87 1.33 -0.02 3.50 2.12 -0.72 -5.01 118.70 117.03 1lds s GLU 36 Ca 0.03 -0.25 0.01 0.00 0.36 0.00 0.00 54.97 55.13 1lds s GLU 36 Cb -0.01 -1.25 0.01 0.00 0.26 0.00 0.00 34.13 33.14 1lds s GLU 36 CO -0.07 -0.10 -0.04 0.08 -0.54 0.00 0.00 175.26 174.59 1lds s VAL 37 N 1.07 0.41 0.03 3.70 1.01 -1.26 -0.90 120.40 124.46 1lds s VAL 37 Ca -0.08 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1lds s VAL 37 Cb -0.14 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 1lds s VAL 37 CO -0.01 0.17 -0.06 -1.81 0.00 0.00 0.00 175.10 173.39 1lds s ASP 38 N 0.51 0.62 -0.00 3.32 1.01 -0.11 -4.99 116.67 117.02 1lds s ASP 38 Ca -0.06 -0.41 -0.06 0.00 0.71 0.00 0.00 52.55 52.73 1lds s ASP 38 Cb -0.09 0.03 -0.05 0.00 1.01 0.00 0.00 42.92 43.81 1lds s ASP 38 CO -0.00 -0.15 0.25 -0.76 0.21 0.00 0.00 175.17 174.72 1lds s LEU 39 N -1.14 4.37 0.10 1.23 1.43 -1.26 -0.16 118.68 123.25 1lds s LEU 39 Ca -0.08 0.54 0.09 0.00 -1.03 0.00 0.00 54.13 53.65 1lds s LEU 39 Cb -0.08 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 1lds s LEU 39 CO -0.00 0.27 -0.23 -0.76 0.23 0.00 0.00 176.35 175.86 1lds s LEU 40 N -1.69 2.27 -0.20 1.79 1.43 0.11 -1.13 118.68 121.26 1lds s LEU 40 Ca 0.26 -0.67 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1lds s LEU 40 Cb -0.13 -1.02 0.05 0.00 0.03 0.00 0.00 46.19 45.12 1lds s LEU 40 CO 0.15 0.12 -0.02 -0.75 0.23 0.00 0.00 176.35 176.08 1lds s LYS 41 N -1.79 1.23 -1.45 1.70 2.20 0.32 -2.02 119.74 119.94 1lds s LYS 41 Ca 0.09 -0.64 -0.08 0.00 -0.36 0.00 0.00 55.97 54.97 1lds s LYS 41 Cb -0.10 -2.23 0.05 0.00 -1.51 0.00 0.00 37.83 34.05 1lds s LYS 41 CO 0.04 -0.56 0.87 0.09 -0.36 0.00 0.00 175.35 175.43 1lds n ASN 42 N 4.86 -3.40 0.00 1.43 3.02 0.97 -1.25 115.26 120.90 1lds n ASN 42 Ca -0.11 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 1lds n ASN 42 Cb 0.46 -3.94 0.00 0.00 -0.61 0.00 0.00 39.78 35.70 1lds n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lds n GLY 43 N -1.67 2.74 3.81 7.41 0.00 -1.26 -5.00 105.19 111.22 1lds n GLY 43 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1lds n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lds s GLU 44 N -0.00 3.91 0.18 1.61 0.41 -0.38 -5.03 118.70 119.40 1lds s GLU 44 Ca 0.00 0.19 -0.31 0.00 -0.41 0.00 0.00 54.97 54.44 1lds s GLU 44 Cb 0.00 -3.28 -0.09 0.00 -1.78 0.00 0.00 34.13 28.98 1lds s GLU 44 CO 0.00 0.56 1.43 0.50 -0.49 0.00 0.00 175.26 177.27 1lds s ARG 45 N -0.56 4.29 -0.45 1.61 3.52 -1.26 -0.52 118.95 125.58 1lds s ARG 45 Ca 0.19 2.20 -0.25 0.00 -0.13 0.00 0.00 55.73 57.75 1lds s ARG 45 Cb -0.14 -3.18 0.03 0.00 -1.56 0.00 0.00 34.95 30.09 1lds s ARG 45 CO 0.08 -0.44 0.91 0.42 -0.81 0.00 0.00 175.30 175.46 1lds s ILE 46 N 0.63 4.50 0.20 4.11 1.01 -0.29 -4.89 121.20 126.48 1lds s ILE 46 Ca 0.63 0.78 -0.06 0.00 0.00 0.00 0.00 60.65 62.01 1lds s ILE 46 Cb -0.40 -4.41 0.04 0.00 0.01 0.00 0.00 42.46 37.70 1lds s ILE 46 CO 0.35 -0.78 1.63 -0.08 0.00 0.00 0.00 174.94 176.06 1lds h GLU 47 N 8.98 0.86 -4.77 2.79 4.57 -1.93 -3.41 114.58 121.68 1lds h GLU 47 Ca -0.24 -0.33 -0.70 0.00 -1.18 0.00 0.00 59.36 56.91 1lds h GLU 47 Cb 1.08 -0.05 -0.19 0.00 -0.16 0.00 0.00 28.75 29.43 1lds h GLU 47 CO 1.01 0.97 0.12 0.21 -1.18 0.00 0.00 179.01 180.14 1lds s LYS 48 N -4.70 3.06 -0.29 1.92 2.20 -1.26 -4.99 119.74 115.68 1lds s LYS 48 Ca -0.10 -1.22 0.02 0.00 -0.36 0.00 0.00 55.97 54.30 1lds s LYS 48 Cb 0.13 -4.23 0.08 0.00 -1.51 0.00 0.00 37.83 32.30 1lds s LYS 48 CO 0.84 -1.50 0.02 0.08 -0.36 0.00 0.00 175.35 174.44 1lds s VAL 49 N 2.73 1.65 0.43 4.02 1.01 -1.26 -4.95 120.40 124.03 1lds s VAL 49 Ca 0.13 -1.67 0.10 0.00 0.00 0.00 0.00 61.98 60.54 1lds s VAL 49 Cb -0.23 -2.09 0.28 0.00 0.00 0.00 0.00 36.38 34.34 1lds s VAL 49 CO 0.07 -0.41 2.05 -0.33 0.00 0.00 0.00 175.10 176.48 1lds h GLU 50 N 7.86 0.44 -5.21 2.72 4.39 -1.95 -3.44 114.58 119.41 1lds h GLU 50 Ca -0.12 -0.03 -0.57 0.00 0.34 0.00 0.00 59.36 58.98 1lds h GLU 50 Cb 1.04 -0.10 -0.32 0.00 -0.10 0.00 0.00 28.75 29.27 1lds h GLU 50 CO 0.47 0.29 -0.84 -1.01 -1.16 0.00 0.00 179.01 176.76 1lds s HIS 51 N -5.42 1.77 -0.32 4.33 3.76 -0.40 -5.04 115.29 113.96 1lds s HIS 51 Ca -0.08 -0.55 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 1lds s HIS 51 Cb 0.18 -1.20 0.14 0.00 1.11 0.00 0.00 32.58 32.81 1lds s HIS 51 CO 0.73 -0.21 0.29 0.45 -0.85 0.00 0.00 174.74 175.15 1lds s SER 52 N 0.16 1.96 -0.29 1.40 0.15 -1.26 -1.52 113.70 114.30 1lds s SER 52 Ca -0.07 -1.30 -0.08 0.00 0.70 0.00 0.00 55.95 55.21 1lds s SER 52 Cb -0.13 0.28 -0.01 0.00 -1.71 0.00 0.00 66.02 64.45 1lds s SER 52 CO 0.03 -0.34 0.11 -1.81 1.20 0.00 0.00 173.24 172.42 1lds s ASP 53 N 1.85 5.30 -0.05 5.45 1.01 -0.09 -4.96 116.67 125.18 1lds s ASP 53 Ca 0.13 -0.51 0.00 0.00 0.71 0.00 0.00 52.55 52.88 1lds s ASP 53 Cb -0.16 -1.94 -0.03 0.00 1.01 0.00 0.00 42.92 41.80 1lds s ASP 53 CO -0.19 -0.15 -0.02 -0.22 0.21 0.00 0.00 175.17 174.79 1lds s LEU 54 N 1.58 3.44 0.29 1.23 2.96 -1.26 -1.21 118.68 125.70 1lds s LEU 54 Ca 0.04 0.04 -0.12 0.00 -0.22 0.00 0.00 54.13 53.87 1lds s LEU 54 Cb -0.17 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.68 1lds s LEU 54 CO 0.04 0.34 0.55 -0.94 -1.32 0.00 0.00 176.35 175.02 1lds s SER 55 N -1.12 0.12 0.01 3.68 1.04 -0.26 -5.00 113.70 112.17 1lds s SER 55 Ca 0.15 -1.05 -0.09 0.00 0.48 0.00 0.00 55.95 55.45 1lds s SER 55 Cb -0.11 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1lds s SER 55 CO 0.05 -1.28 0.18 0.72 0.98 0.00 0.00 173.24 173.89 1lds s PHE 56 N -3.55 0.03 0.00 5.02 -0.12 -1.26 -0.53 117.98 117.57 1lds s PHE 56 Ca 0.22 -0.15 0.00 0.00 -0.05 0.00 0.00 56.93 56.95 1lds s PHE 56 Cb -0.02 -0.03 0.00 0.00 -0.63 0.00 0.00 43.02 42.34 1lds s PHE 56 CO 0.12 -0.35 0.00 -1.13 -0.05 0.00 0.00 175.22 173.80 1lds n SER 57 N 1.13 0.00 -4.80 1.98 3.41 -0.64 -4.98 113.62 109.72 1lds n SER 57 Ca -0.21 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.09 1lds n SER 57 Cb 0.57 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.59 1lds n SER 57 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1lds s LYS 58 N 0.00 2.60 0.61 4.33 -0.14 -1.26 -4.88 119.74 121.00 1lds s LYS 58 Ca 0.00 0.96 0.40 0.00 -1.36 0.00 0.00 55.97 55.97 1lds s LYS 58 Cb 0.00 -1.95 2.19 0.00 -1.68 0.00 0.00 37.83 36.39 1lds s LYS 58 CO 0.00 -1.34 2.23 -0.44 -0.76 0.00 0.00 175.35 175.04 1lds h ASP 59 N -0.90 0.00 -0.36 2.83 3.32 -2.04 -2.20 116.42 117.08 1lds h ASP 59 Ca -0.44 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.46 1lds h ASP 59 Cb 1.23 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.69 1lds h ASP 59 CO 0.56 0.00 -0.01 -2.67 -1.72 0.00 0.00 179.24 175.40 1lds n TRP 60 N -2.93 1.16 -3.63 4.55 2.14 -1.26 -4.91 117.44 112.56 1lds n TRP 60 Ca -0.03 -1.39 -0.26 0.00 2.07 0.00 0.00 57.50 57.89 1lds n TRP 60 Cb 0.08 -0.46 -0.17 0.00 -0.81 0.00 0.00 31.31 29.95 1lds n TRP 60 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1lds s SER 61 N -2.27 2.49 0.15 -0.67 0.15 -0.83 -4.57 113.70 108.14 1lds s SER 61 Ca 0.45 -0.67 0.04 0.00 0.70 0.00 0.00 55.95 56.47 1lds s SER 61 Cb 0.39 -0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.35 1lds s SER 61 CO 0.03 -0.34 0.15 -0.36 1.20 0.00 0.00 173.24 173.92 1lds s PHE 62 N 2.08 3.21 -0.01 3.44 0.08 -0.49 -1.63 117.98 124.67 1lds s PHE 62 Ca 0.02 0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.10 1lds s PHE 62 Cb -0.16 -1.56 0.01 0.00 -0.57 0.00 0.00 43.02 40.74 1lds s PHE 62 CO -0.10 0.52 -0.02 0.71 -0.10 0.00 0.00 175.22 176.24 1lds s TYR 63 N -1.69 0.32 -0.07 0.36 1.51 0.31 -0.92 117.35 117.19 1lds s TYR 63 Ca 0.31 -0.04 0.00 0.00 -1.01 0.00 0.00 57.07 56.34 1lds s TYR 63 Cb -0.11 -0.30 0.02 0.00 -0.11 0.00 0.00 41.96 41.47 1lds s TYR 63 CO 0.24 -0.06 -0.05 -1.17 -1.11 0.00 0.00 175.55 173.40 1lds s LEU 64 N 0.39 1.19 -0.28 -1.29 2.96 0.61 -1.10 118.68 121.16 1lds s LEU 64 Ca -0.04 -0.17 -0.05 0.00 -0.22 0.00 0.00 54.13 53.65 1lds s LEU 64 Cb -0.07 -0.57 0.01 0.00 0.50 0.00 0.00 46.19 46.07 1lds s LEU 64 CO -0.01 -0.08 0.04 -0.22 -1.32 0.00 0.00 176.35 174.76 1lds s LEU 65 N 1.24 3.65 -0.28 -0.68 2.96 -0.35 -0.64 118.68 124.59 1lds s LEU 65 Ca -0.05 -0.77 0.01 0.00 -0.22 0.00 0.00 54.13 53.10 1lds s LEU 65 Cb -0.14 -1.81 0.06 0.00 0.50 0.00 0.00 46.19 44.80 1lds s LEU 65 CO -0.02 -0.17 -0.07 -0.47 -1.32 0.00 0.00 176.35 174.30 1lds s TYR 66 N 1.44 3.28 0.14 5.38 5.04 -0.51 -0.92 117.35 131.21 1lds s TYR 66 Ca 0.02 -2.19 -0.08 0.00 -2.44 0.00 0.00 57.07 52.37 1lds s TYR 66 Cb -0.17 -2.02 -0.01 0.00 0.35 0.00 0.00 41.96 40.11 1lds s TYR 66 CO 0.00 -0.86 0.25 1.52 -1.34 0.00 0.00 175.55 175.12 1lds s TYR 67 N 1.15 0.36 0.01 4.97 1.13 -0.57 -0.81 117.35 123.59 1lds s TYR 67 Ca -0.07 -0.75 -0.28 0.00 -1.41 0.00 0.00 57.07 54.56 1lds s TYR 67 Cb -0.20 -0.08 0.09 0.00 -1.10 0.00 0.00 41.96 40.67 1lds s TYR 67 CO -0.04 -0.66 0.78 -0.08 -2.51 0.00 0.00 175.55 173.04 1lds s THR 68 N -3.95 0.00 0.45 -3.49 -1.32 -0.91 -1.27 115.64 105.16 1lds s THR 68 Ca 0.14 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.39 1lds s THR 68 Cb 0.04 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.96 1lds s THR 68 CO -0.03 0.00 1.20 -0.70 -2.21 0.00 0.00 174.62 172.88 1lds s GLU 69 N -2.58 3.77 0.22 7.08 2.12 -1.26 -1.12 118.70 126.93 1lds s GLU 69 Ca -0.01 1.88 -0.15 0.00 0.36 0.00 0.00 54.97 57.05 1lds s GLU 69 Cb -0.01 -2.48 0.01 0.00 0.26 0.00 0.00 34.13 31.91 1lds s GLU 69 CO -0.05 -0.57 0.49 -0.59 -0.54 0.00 0.00 175.26 174.01 1lds s PHE 70 N -1.46 0.12 -0.48 5.30 -0.71 -0.21 -4.84 117.98 115.70 1lds s PHE 70 Ca 0.62 -0.49 0.03 0.00 -1.04 0.00 0.00 56.93 56.06 1lds s PHE 70 Cb -0.31 0.29 0.15 0.00 -1.21 0.00 0.00 43.02 41.94 1lds s PHE 70 CO 0.38 -0.95 0.31 0.99 -1.34 0.00 0.00 175.22 174.61 1lds s THR 71 N -3.94 1.34 0.49 -4.49 2.01 -1.26 -4.30 115.64 105.49 1lds s THR 71 Ca 0.15 -2.83 -0.21 0.00 0.31 0.00 0.00 61.69 59.11 1lds s THR 71 Cb -0.01 -1.92 -0.07 0.00 0.01 0.00 0.00 72.50 70.51 1lds s THR 71 CO 0.03 -1.00 1.12 -2.16 -0.69 0.00 0.00 174.62 171.93 1lds s PRO 72 N 0.01 3.64 0.13 4.92 0.04 -1.26 -5.07 135.00 137.41 1lds s PRO 72 Ca 0.22 1.63 0.07 0.00 0.04 0.00 0.00 61.00 62.97 1lds s PRO 72 Cb -0.14 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1lds s PRO 72 CO -0.07 -0.62 -0.17 0.95 0.04 0.00 0.00 177.00 177.13 1lds s THR 73 N -1.70 1.58 -1.33 1.26 -4.23 -1.26 -5.01 115.64 104.95 1lds s THR 73 Ca 0.67 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1lds s THR 73 Cb -0.25 -1.60 0.00 0.00 1.34 0.00 0.00 72.50 71.99 1lds s THR 73 CO 0.29 -0.27 0.76 -1.84 -0.54 0.00 0.00 174.62 173.02 1lds n GLU 74 N 0.67 0.00 -0.01 3.99 0.00 -1.26 -1.60 120.64 122.43 1lds n GLU 74 Ca -0.16 0.27 0.10 0.00 0.00 0.00 0.00 57.16 57.37 1lds n GLU 74 Cb 0.56 -1.52 -0.16 0.00 0.00 0.00 0.00 31.44 30.32 1lds n GLU 74 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1lds n LYS 75 N -1.26 0.61 -3.46 3.44 2.85 -1.26 -4.98 118.16 114.10 1lds n LYS 75 Ca 0.00 -0.18 -0.32 0.00 -1.05 0.00 0.00 58.31 56.76 1lds n LYS 75 Cb 0.02 -1.48 -0.05 0.00 -0.65 0.00 0.00 35.03 32.87 1lds n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1lds s ASP 76 N -4.32 6.62 -0.11 -5.58 1.01 -0.62 -5.08 116.67 108.59 1lds s ASP 76 Ca -0.07 0.87 0.01 0.00 0.71 0.00 0.00 52.55 54.07 1lds s ASP 76 Cb 0.13 -2.21 -0.01 0.00 1.01 0.00 0.00 42.92 41.83 1lds s ASP 76 CO 0.83 -0.02 -0.15 -1.83 0.21 0.00 0.00 175.17 174.21 1lds s GLU 77 N -2.67 3.21 0.11 8.23 -1.05 -1.26 -4.76 118.70 120.51 1lds s GLU 77 Ca 0.45 -0.71 0.10 0.00 -0.15 0.00 0.00 54.97 54.65 1lds s GLU 77 Cb -0.12 -2.55 -0.04 0.00 -0.44 0.00 0.00 34.13 30.98 1lds s GLU 77 CO 0.21 0.27 -0.23 0.71 0.95 0.00 0.00 175.26 177.17 1lds s TYR 78 N 0.19 2.41 0.32 4.83 1.51 -1.26 -0.02 117.35 125.33 1lds s TYR 78 Ca -0.09 -0.33 -0.17 0.00 -1.01 0.00 0.00 57.07 55.47 1lds s TYR 78 Cb -0.15 -1.32 0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1lds s TYR 78 CO 0.05 0.32 0.71 0.00 -1.11 0.00 0.00 175.55 175.52 1lds s ALA 79 N -1.05 -0.80 -0.07 3.71 0.00 -0.86 0.11 121.76 122.80 1lds s ALA 79 Ca 0.15 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.52 1lds s ALA 79 Cb -0.10 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.85 1lds s ALA 79 CO 0.07 -0.98 -0.17 0.00 0.00 0.00 0.00 175.76 174.68 1lds s ARG 81 N 0.45 3.42 -0.05 0.00 3.52 0.77 -0.84 118.95 126.23 1lds s ARG 81 Ca -0.14 -0.65 0.04 0.00 -0.13 0.00 0.00 55.73 54.86 1lds s ARG 81 Cb -0.16 -2.77 -0.00 0.00 -1.56 0.00 0.00 34.95 30.46 1lds s ARG 81 CO 0.05 0.10 -0.18 0.08 -0.81 0.00 0.00 175.30 174.54 1lds s VAL 82 N 0.66 1.52 -0.10 7.11 1.01 0.28 -0.93 120.40 129.96 1lds s VAL 82 Ca -0.05 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1lds s VAL 82 Cb -0.15 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1lds s VAL 82 CO 0.02 0.44 -0.22 0.20 0.00 0.00 0.00 175.10 175.54 1lds s ASN 83 N 0.03 2.90 0.10 3.32 0.01 -0.07 -0.68 114.94 120.55 1lds s ASN 83 Ca -0.04 -0.52 -0.13 0.00 -0.71 0.00 0.00 52.86 51.45 1lds s ASN 83 Cb -0.12 -1.33 0.02 0.00 0.41 0.00 0.00 41.25 40.23 1lds s ASN 83 CO 0.03 0.14 0.31 -2.28 -1.51 0.00 0.00 177.10 173.78 1lds s HIS 84 N 0.41 -0.06 0.51 2.20 2.46 -1.26 -1.75 115.29 117.80 1lds s HIS 84 Ca -0.18 -0.27 0.30 0.00 0.47 0.00 0.00 55.06 55.38 1lds s HIS 84 Cb -0.18 0.12 1.70 0.00 -0.13 0.00 0.00 32.58 34.09 1lds s HIS 84 CO 0.08 -0.61 2.18 -0.39 -2.47 0.00 0.00 174.74 173.52 1lds h VAL 85 N 2.63 0.49 0.00 0.89 -1.51 -1.95 -1.21 116.25 115.60 1lds h VAL 85 Ca -0.34 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 1lds h VAL 85 Cb 1.23 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 1lds h VAL 85 CO 0.50 0.05 0.00 0.35 -1.23 0.00 0.00 177.57 177.24 1lds n THR 86 N -3.68 0.06 -3.80 7.19 -2.24 -1.26 -4.63 114.28 105.92 1lds n THR 86 Ca -0.02 0.01 -0.37 0.00 -2.27 0.00 0.00 64.05 61.40 1lds n THR 86 Cb 0.15 -0.53 -0.13 0.00 -2.10 0.00 0.00 70.33 67.73 1lds n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1lds s LEU 87 N -2.96 4.18 0.46 3.22 1.43 -0.46 -4.97 118.68 119.60 1lds s LEU 87 Ca 0.15 -1.17 0.13 0.00 -1.03 0.00 0.00 54.13 52.21 1lds s LEU 87 Cb 0.19 -1.82 1.05 0.00 0.03 0.00 0.00 46.19 45.63 1lds s LEU 87 CO 0.51 -0.30 2.06 0.77 0.23 0.00 0.00 176.35 179.61 1lds h SER 88 N 8.16 0.13 -4.34 2.29 4.64 -1.82 -3.41 113.55 119.20 1lds h SER 88 Ca -0.23 -0.01 -0.47 0.00 -0.47 0.00 0.00 61.79 60.61 1lds h SER 88 Cb 1.08 -0.03 -0.23 0.00 -0.31 0.00 0.00 62.40 62.90 1lds h SER 88 CO 0.58 0.17 -0.80 -1.10 -0.87 0.00 0.00 176.83 174.81 1lds s GLN 89 N -5.00 0.99 0.39 4.77 -1.52 -1.26 -5.11 119.66 112.92 1lds s GLN 89 Ca -0.05 -0.90 -0.27 0.00 -1.95 0.00 0.00 55.36 52.18 1lds s GLN 89 Cb 0.17 -1.06 -0.11 0.00 -0.22 0.00 0.00 33.01 31.79 1lds s GLN 89 CO 0.70 0.25 1.39 -0.35 -0.25 0.00 0.00 175.29 177.03 1lds n PRO 90 N 1.59 2.33 -3.61 2.91 -0.04 -1.26 -4.94 135.00 131.98 1lds n PRO 90 Ca -0.19 0.82 -0.36 0.00 -0.04 0.00 0.00 63.50 63.73 1lds n PRO 90 Cb 0.54 -2.53 -0.08 0.00 -0.04 0.00 0.00 33.50 31.40 1lds n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1lds s LYS 91 N -2.13 4.20 -0.21 0.54 2.20 0.15 -4.90 119.74 119.58 1lds s LYS 91 Ca 0.57 -0.07 -0.02 0.00 -0.36 0.00 0.00 55.97 56.08 1lds s LYS 91 Cb -0.50 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.37 1lds s LYS 91 CO 0.61 0.21 -0.10 0.42 -0.36 0.00 0.00 175.35 176.13 1lds s ILE 92 N 0.60 2.91 -0.22 5.43 1.01 -1.26 -0.56 121.20 129.12 1lds s ILE 92 Ca 0.12 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 1lds s ILE 92 Cb -0.12 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.04 1lds s ILE 92 CO 0.02 0.45 -0.06 -0.69 0.00 0.00 0.00 174.94 174.67 1lds s VAL 93 N 1.41 3.19 0.56 2.92 1.01 -0.02 -4.95 120.40 124.52 1lds s VAL 93 Ca 0.05 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 1lds s VAL 93 Cb -0.14 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1lds s VAL 93 CO -0.07 0.38 1.03 -0.54 0.00 0.00 0.00 175.10 175.91 1lds s LYS 94 N 1.44 3.56 -0.12 2.72 1.02 -1.26 -0.60 119.74 126.50 1lds s LYS 94 Ca 0.05 1.15 -0.22 0.00 0.02 0.00 0.00 55.97 56.97 1lds s LYS 94 Cb -0.15 -2.07 -0.03 0.00 -0.52 0.00 0.00 37.83 35.06 1lds s LYS 94 CO -0.04 -0.61 0.65 -0.46 -0.92 0.00 0.00 175.35 173.97 1lds s TRP 95 N -2.45 3.49 -2.78 3.18 -0.00 0.12 -4.75 118.94 115.75 1lds s TRP 95 Ca 0.63 1.09 0.26 0.00 -0.00 0.00 0.00 56.10 58.07 1lds s TRP 95 Cb -0.14 -2.78 0.57 0.00 -0.00 0.00 0.00 33.47 31.12 1lds s TRP 95 CO 0.33 -0.00 1.47 -3.47 -0.00 0.00 0.00 176.95 175.28