#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q94 s ILE 1 N 0.00 4.92 -0.18 3.17 2.07 -1.26 -5.03 121.20 124.89 1q94 s ILE 1 Ca 0.00 1.70 -0.00 0.00 -1.41 0.00 0.00 60.65 60.94 1q94 s ILE 1 Cb 0.00 -4.16 0.01 0.00 0.13 0.00 0.00 42.46 38.44 1q94 s ILE 1 CO 0.00 0.12 -0.16 -1.10 -1.91 0.00 0.00 174.94 171.89 1q94 s GLN 2 N 1.49 3.11 -0.09 3.50 -1.52 -1.26 -4.28 119.66 120.61 1q94 s GLN 2 Ca 0.42 -0.77 0.01 0.00 -1.95 0.00 0.00 55.36 53.07 1q94 s GLN 2 Cb -0.18 -2.67 0.02 0.00 -0.22 0.00 0.00 33.01 29.96 1q94 s GLN 2 CO 0.18 -0.17 -0.12 1.03 -0.25 0.00 0.00 175.29 175.96 1q94 s ARG 3 N 1.25 1.86 0.53 2.91 0.52 -0.79 -4.97 118.95 120.25 1q94 s ARG 3 Ca 0.03 -0.43 -0.21 0.00 -0.52 0.00 0.00 55.73 54.60 1q94 s ARG 3 Cb -0.14 -1.64 -0.06 0.00 0.52 0.00 0.00 34.95 33.64 1q94 s ARG 3 CO -0.09 -0.08 1.18 0.99 0.02 0.00 0.00 175.30 177.33 1q94 s THR 4 N 1.04 2.90 0.17 0.02 2.01 -1.26 -2.31 115.64 118.22 1q94 s THR 4 Ca -0.07 0.61 -0.14 0.00 0.31 0.00 0.00 61.69 62.41 1q94 s THR 4 Cb -0.15 -3.28 -0.07 0.00 0.01 0.00 0.00 72.50 69.01 1q94 s THR 4 CO -0.01 -0.07 0.58 -2.16 -0.69 0.00 0.00 174.62 172.26 1q94 s PRO 5 N -3.05 3.99 -0.05 4.92 0.04 -1.26 -4.03 135.00 135.56 1q94 s PRO 5 Ca 0.70 0.51 -0.18 0.00 0.04 0.00 0.00 61.00 62.08 1q94 s PRO 5 Cb -0.29 -2.86 -0.05 0.00 0.04 0.00 0.00 34.50 31.34 1q94 s PRO 5 CO 0.33 0.43 0.49 0.15 0.04 0.00 0.00 177.00 178.45 1q94 s LYS 6 N -2.13 4.23 -0.05 4.56 1.02 0.05 -4.87 119.74 122.54 1q94 s LYS 6 Ca 0.40 0.53 0.04 0.00 0.02 0.00 0.00 55.97 56.96 1q94 s LYS 6 Cb -0.14 -3.35 -0.02 0.00 -0.52 0.00 0.00 37.83 33.79 1q94 s LYS 6 CO 0.20 0.36 -0.15 0.42 -0.92 0.00 0.00 175.35 175.25 1q94 s ILE 7 N -0.07 2.97 -0.04 2.17 1.09 -1.26 -2.22 121.20 123.82 1q94 s ILE 7 Ca 0.27 -0.76 -0.01 0.00 -1.10 0.00 0.00 60.65 59.05 1q94 s ILE 7 Cb -0.16 -2.16 0.03 0.00 -1.06 0.00 0.00 42.46 39.11 1q94 s ILE 7 CO 0.13 0.59 0.02 -1.10 -0.10 0.00 0.00 174.94 174.48 1q94 s GLN 8 N -0.65 0.25 -0.21 2.79 -0.21 -1.01 -4.99 119.66 115.63 1q94 s GLN 8 Ca 0.10 0.19 -0.04 0.00 0.02 0.00 0.00 55.36 55.64 1q94 s GLN 8 Cb -0.11 -0.62 -0.01 0.00 1.00 0.00 0.00 33.01 33.27 1q94 s GLN 8 CO 0.01 -0.25 -0.05 0.08 -2.12 0.00 0.00 175.29 172.96 1q94 s VAL 9 N 1.69 3.43 0.21 1.09 1.01 -1.26 -1.02 120.40 125.55 1q94 s VAL 9 Ca -0.00 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.27 1q94 s VAL 9 Cb -0.13 -2.55 0.05 0.00 0.00 0.00 0.00 36.38 33.75 1q94 s VAL 9 CO -0.03 0.44 0.72 -0.72 0.00 0.00 0.00 175.10 175.50 1q94 s TYR 10 N 1.28 -0.30 0.15 5.22 1.13 -0.73 -4.58 117.35 119.52 1q94 s TYR 10 Ca 0.03 -0.04 -0.02 0.00 -1.41 0.00 0.00 57.07 55.63 1q94 s TYR 10 Cb -0.14 0.64 -0.05 0.00 -1.10 0.00 0.00 41.96 41.31 1q94 s TYR 10 CO -0.02 -1.02 0.35 -1.54 -2.51 0.00 0.00 175.55 170.81 1q94 s SER 11 N -2.84 6.42 0.04 -0.18 1.04 -1.26 0.40 113.70 117.31 1q94 s SER 11 Ca 0.08 0.44 -0.26 0.00 0.48 0.00 0.00 55.95 56.69 1q94 s SER 11 Cb -0.04 -2.03 -0.17 0.00 0.10 0.00 0.00 66.02 63.88 1q94 s SER 11 CO -0.01 0.03 1.42 -0.09 0.98 0.00 0.00 173.24 175.58 1q94 h ARG 12 N 2.52 -0.37 -6.22 4.02 2.43 -1.85 -3.45 114.38 111.47 1q94 h ARG 12 Ca -0.47 0.02 -0.46 0.00 -0.81 0.00 0.00 59.98 58.27 1q94 h ARG 12 Cb 1.17 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1q94 h ARG 12 CO 0.71 -0.10 -0.42 -1.01 -1.51 0.00 0.00 179.97 177.64 1q94 s HIS 13 N -5.23 3.34 0.13 2.20 3.76 -1.26 -5.05 115.29 113.18 1q94 s HIS 13 Ca -0.15 -0.07 -0.31 0.00 -0.15 0.00 0.00 55.06 54.38 1q94 s HIS 13 Cb 0.03 -1.65 -0.10 0.00 1.11 0.00 0.00 32.58 31.98 1q94 s HIS 13 CO 0.60 0.35 1.69 -2.14 -0.85 0.00 0.00 174.74 174.39 1q94 s PRO 14 N -4.01 4.17 0.21 8.40 0.02 -1.26 -4.89 135.00 137.64 1q94 s PRO 14 Ca 0.36 2.45 -0.31 0.00 0.02 0.00 0.00 61.00 63.52 1q94 s PRO 14 Cb -0.09 -3.42 -0.15 0.00 0.02 0.00 0.00 34.50 30.85 1q94 s PRO 14 CO 0.29 -0.74 1.07 0.00 -0.33 0.00 0.00 177.00 177.30 1q94 n ALA 15 N 5.03 -0.80 -3.15 -1.55 0.00 -1.26 -4.98 120.51 113.79 1q94 n ALA 15 Ca 0.16 0.44 0.04 0.00 0.00 0.00 0.00 53.44 54.08 1q94 n ALA 15 Cb 0.39 -1.99 -0.01 0.00 0.00 0.00 0.00 19.45 17.84 1q94 n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1q94 s GLU 16 N -0.75 0.51 -0.43 0.00 2.56 -1.26 -5.10 118.70 114.22 1q94 s GLU 16 Ca 0.69 0.75 -0.44 0.00 0.00 0.00 0.00 54.97 55.96 1q94 s GLU 16 Cb -0.82 0.40 -0.18 0.00 2.00 0.00 0.00 34.13 35.53 1q94 s GLU 16 CO 0.55 -0.70 1.70 0.09 -0.56 0.00 0.00 175.26 176.34 1q94 n ASN 17 N 5.41 1.57 0.00 -1.70 4.13 -1.26 -0.57 115.26 122.84 1q94 n ASN 17 Ca 0.01 1.10 0.00 0.00 1.68 0.00 0.00 54.58 57.37 1q94 n ASN 17 Cb 0.53 -0.97 0.00 0.00 -1.54 0.00 0.00 39.78 37.79 1q94 n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1q94 n GLY 18 N 4.39 2.96 3.58 7.41 0.00 -1.05 -5.00 105.19 117.49 1q94 n GLY 18 Ca 0.32 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1q94 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q94 s LYS 19 N 0.00 3.64 0.52 1.61 1.02 0.27 -4.91 119.74 121.88 1q94 s LYS 19 Ca 0.00 0.37 -0.18 0.00 0.02 0.00 0.00 55.97 56.18 1q94 s LYS 19 Cb 0.00 -3.91 -0.12 0.00 -0.52 0.00 0.00 37.83 33.27 1q94 s LYS 19 CO 0.00 -1.30 0.19 0.43 -0.92 0.00 0.00 175.35 173.75 1q94 n SER 20 N 7.50 -2.41 -0.16 2.83 7.64 -1.26 -4.41 113.62 123.34 1q94 n SER 20 Ca 0.09 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.68 1q94 n SER 20 Cb 0.49 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 1q94 n SER 20 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1q94 n ASN 21 N 1.62 0.00 -3.90 6.43 2.85 0.41 -4.95 115.26 117.72 1q94 n ASN 21 Ca 0.10 -0.16 -0.16 0.00 -0.11 0.00 0.00 54.58 54.24 1q94 n ASN 21 Cb 0.46 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.33 1q94 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1q94 s PHE 22 N -3.89 0.40 -0.09 1.20 0.40 -1.26 -2.05 117.98 112.70 1q94 s PHE 22 Ca 0.00 -0.07 -0.14 0.00 -0.60 0.00 0.00 56.93 56.12 1q94 s PHE 22 Cb 0.00 -0.34 -0.05 0.00 0.51 0.00 0.00 43.02 43.14 1q94 s PHE 22 CO 0.00 -0.07 0.36 -1.17 0.70 0.00 0.00 175.22 175.04 1q94 s LEU 23 N 0.36 4.36 0.06 -0.37 2.96 0.11 -2.44 118.68 123.72 1q94 s LEU 23 Ca -0.04 0.74 0.09 0.00 -0.22 0.00 0.00 54.13 54.71 1q94 s LEU 23 Cb -0.07 -2.48 -0.03 0.00 0.50 0.00 0.00 46.19 44.11 1q94 s LEU 23 CO -0.01 0.20 -0.26 0.20 -1.32 0.00 0.00 176.35 175.17 1q94 s ASN 24 N -0.26 3.15 -0.12 3.68 0.02 0.16 -2.59 114.94 118.98 1q94 s ASN 24 Ca 0.21 -0.62 -0.02 0.00 -1.02 0.00 0.00 52.86 51.41 1q94 s ASN 24 Cb -0.15 -0.27 0.04 0.00 0.02 0.00 0.00 41.25 40.90 1q94 s ASN 24 CO 0.09 0.24 0.03 0.00 0.02 0.00 0.00 177.10 177.47 1q94 s TYR 26 N 1.97 3.46 -0.14 0.00 5.04 -0.18 -0.97 117.35 126.53 1q94 s TYR 26 Ca 0.03 -2.07 -0.05 0.00 -2.44 0.00 0.00 57.07 52.54 1q94 s TYR 26 Cb -0.14 -2.98 -0.04 0.00 0.35 0.00 0.00 41.96 39.15 1q94 s TYR 26 CO -0.06 -0.91 0.05 0.14 -1.34 0.00 0.00 175.55 173.42 1q94 s VAL 27 N 1.24 4.69 0.30 3.14 -7.23 -0.58 -2.40 120.40 119.57 1q94 s VAL 27 Ca 0.04 -0.08 -0.12 0.00 -1.81 0.00 0.00 61.98 60.02 1q94 s VAL 27 Cb -0.22 -3.06 0.01 0.00 0.56 0.00 0.00 36.38 33.67 1q94 s VAL 27 CO -0.02 0.53 0.56 -0.94 -0.31 0.00 0.00 175.10 174.93 1q94 s SER 28 N -0.22 0.17 0.00 4.85 1.04 -0.94 0.53 113.70 119.13 1q94 s SER 28 Ca 0.07 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1q94 s SER 28 Cb -0.12 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1q94 s SER 28 CO 0.02 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.53 1q94 n GLY 29 N -0.47 0.31 3.98 7.32 0.00 -0.06 -0.77 105.19 115.50 1q94 n GLY 29 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1q94 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1q94 s PHE 30 N -1.73 3.05 -0.29 1.61 -0.71 -1.22 -4.42 117.98 114.27 1q94 s PHE 30 Ca 0.00 -0.07 -0.22 0.00 -1.04 0.00 0.00 56.93 55.60 1q94 s PHE 30 Cb 0.00 -2.30 0.16 0.00 -1.21 0.00 0.00 43.02 39.67 1q94 s PHE 30 CO 0.00 -0.35 1.16 -1.58 -1.34 0.00 0.00 175.22 173.11 1q94 s HIS 31 N -2.43 -0.33 1.29 3.49 2.46 -0.98 -1.56 115.29 117.22 1q94 s HIS 31 Ca 0.50 0.75 -0.20 0.00 0.47 0.00 0.00 55.06 56.58 1q94 s HIS 31 Cb -0.10 0.35 0.32 0.00 -0.13 0.00 0.00 32.58 33.02 1q94 s HIS 31 CO 0.35 -0.16 1.03 -1.25 -2.47 0.00 0.00 174.74 172.24 1q94 s PRO 32 N 0.55 -1.92 0.36 2.88 0.04 -1.26 -1.89 135.00 133.75 1q94 s PRO 32 Ca -0.00 0.06 0.03 0.00 0.04 0.00 0.00 61.00 61.14 1q94 s PRO 32 Cb -0.04 -1.50 0.66 0.00 0.04 0.00 0.00 34.50 33.65 1q94 s PRO 32 CO -0.11 -4.20 1.99 0.66 0.04 0.00 0.00 177.00 175.38 1q94 h SER 33 N -2.93 0.65 -2.43 6.66 4.64 -2.00 -3.45 113.55 114.69 1q94 h SER 33 Ca -0.45 -0.04 -0.60 0.00 -0.47 0.00 0.00 61.79 60.23 1q94 h SER 33 Cb 1.32 -0.16 0.14 0.00 -0.31 0.00 0.00 62.40 63.38 1q94 h SER 33 CO 0.33 0.51 -0.25 0.47 -0.87 0.00 0.00 176.83 177.02 1q94 n ASP 34 N -4.41 -0.30 -3.65 4.97 8.00 -1.26 -4.99 116.55 114.91 1q94 n ASP 34 Ca 0.05 0.96 0.01 0.00 0.71 0.00 0.00 54.79 56.52 1q94 n ASP 34 Cb 0.08 -1.17 -0.06 0.00 -0.02 0.00 0.00 41.12 39.95 1q94 n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1q94 s ILE 35 N -1.38 0.00 -0.16 0.53 2.07 -1.26 -4.85 121.20 116.15 1q94 s ILE 35 Ca 0.63 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.82 1q94 s ILE 35 Cb -0.62 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 40.94 1q94 s ILE 35 CO 0.58 0.00 0.01 -1.61 -1.91 0.00 0.00 174.94 172.01 1q94 s GLU 36 N 0.87 3.78 -0.02 3.50 2.02 -0.66 -4.98 118.70 123.20 1q94 s GLU 36 Ca -0.05 -0.43 -0.00 0.00 0.02 0.00 0.00 54.97 54.51 1q94 s GLU 36 Cb -0.03 -3.05 0.03 0.00 0.10 0.00 0.00 34.13 31.18 1q94 s GLU 36 CO -0.11 0.29 0.02 0.08 0.02 0.00 0.00 175.26 175.56 1q94 s VAL 37 N 0.28 0.00 0.06 2.63 1.01 -1.26 -0.32 120.40 122.80 1q94 s VAL 37 Ca 0.00 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.23 1q94 s VAL 37 Cb -0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 1q94 s VAL 37 CO 0.02 0.11 -0.12 -1.81 0.00 0.00 0.00 175.10 173.30 1q94 s ASP 38 N 1.18 1.38 -0.14 3.32 1.01 -0.38 -4.99 116.67 118.05 1q94 s ASP 38 Ca -0.08 -0.57 -0.05 0.00 0.71 0.00 0.00 52.55 52.56 1q94 s ASP 38 Cb -0.13 -0.02 -0.03 0.00 1.01 0.00 0.00 42.92 43.74 1q94 s ASP 38 CO -0.03 -0.11 0.02 -0.76 0.21 0.00 0.00 175.17 174.50 1q94 s LEU 39 N -1.62 3.63 -0.06 1.23 1.43 -1.26 -0.70 118.68 121.33 1q94 s LEU 39 Ca -0.04 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1q94 s LEU 39 Cb -0.10 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 1q94 s LEU 39 CO 0.02 0.26 -0.13 -0.76 0.23 0.00 0.00 176.35 175.96 1q94 s LEU 40 N -0.16 2.77 -0.50 1.79 1.43 0.18 -0.49 118.68 123.70 1q94 s LEU 40 Ca 0.05 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1q94 s LEU 40 Cb -0.12 -1.57 0.13 0.00 0.03 0.00 0.00 46.19 44.65 1q94 s LEU 40 CO 0.02 0.32 0.27 -0.75 0.23 0.00 0.00 176.35 176.43 1q94 s LYS 41 N -0.57 2.06 -0.74 1.70 2.20 0.92 -1.43 119.74 123.87 1q94 s LYS 41 Ca 0.08 -2.35 -0.04 0.00 -0.36 0.00 0.00 55.97 53.30 1q94 s LYS 41 Cb -0.11 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 32.70 1q94 s LYS 41 CO 0.01 -1.09 0.65 0.09 -0.36 0.00 0.00 175.35 174.65 1q94 n ASN 42 N 3.63 -5.21 0.00 1.43 3.02 0.11 -2.92 115.26 115.32 1q94 n ASN 42 Ca 0.05 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 1q94 n ASN 42 Cb 0.37 -3.83 0.00 0.00 -0.61 0.00 0.00 39.78 35.71 1q94 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q94 n GLY 43 N -1.30 2.03 3.94 7.41 0.00 -1.26 -4.96 105.19 111.05 1q94 n GLY 43 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 1q94 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q94 s GLU 44 N 0.00 1.94 -0.22 1.61 2.02 -1.15 -5.00 118.70 117.91 1q94 s GLU 44 Ca 0.00 -0.42 -0.07 0.00 0.02 0.00 0.00 54.97 54.49 1q94 s GLU 44 Cb 0.00 -2.17 -0.03 0.00 0.10 0.00 0.00 34.13 32.03 1q94 s GLU 44 CO 0.00 -1.40 0.06 1.03 0.02 0.00 0.00 175.26 174.97 1q94 s ARG 45 N -5.29 3.78 -0.20 1.61 0.52 -1.26 -0.06 118.95 118.06 1q94 s ARG 45 Ca 0.63 -0.43 -0.29 0.00 -0.52 0.00 0.00 55.73 55.12 1q94 s ARG 45 Cb -0.09 -3.25 -0.03 0.00 0.52 0.00 0.00 34.95 32.10 1q94 s ARG 45 CO 0.45 0.02 1.60 0.42 0.02 0.00 0.00 175.30 177.82 1q94 s ILE 46 N 1.04 3.71 0.00 1.52 1.01 0.36 -4.89 121.20 123.94 1q94 s ILE 46 Ca 0.04 0.81 0.00 0.00 0.00 0.00 0.00 60.65 61.50 1q94 s ILE 46 Cb -0.14 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1q94 s ILE 46 CO 0.03 -0.25 0.83 -0.62 0.00 0.00 0.00 174.94 174.92 1q94 n GLU 47 N 7.54 0.00 -2.26 2.79 1.02 -1.26 -4.36 120.64 124.11 1q94 n GLU 47 Ca 0.18 0.56 -0.37 0.00 -0.02 0.00 0.00 57.16 57.52 1q94 n GLU 47 Cb 0.45 -1.33 -0.04 0.00 -0.02 0.00 0.00 31.44 30.51 1q94 n GLU 47 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1q94 s LYS 48 N -2.31 2.92 -0.12 3.49 2.20 -1.26 -4.96 119.74 119.71 1q94 s LYS 48 Ca 0.00 -0.14 -0.01 0.00 -0.36 0.00 0.00 55.97 55.46 1q94 s LYS 48 Cb 0.00 -4.69 0.03 0.00 -1.51 0.00 0.00 37.83 31.67 1q94 s LYS 48 CO 0.00 -2.66 -0.02 0.08 -0.36 0.00 0.00 175.35 172.39 1q94 s VAL 49 N 7.78 0.72 0.43 4.02 1.01 -1.26 -4.66 120.40 128.44 1q94 s VAL 49 Ca 0.56 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 1q94 s VAL 49 Cb -0.08 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1q94 s VAL 49 CO 0.08 0.19 0.66 -1.61 0.00 0.00 0.00 175.10 174.42 1q94 s GLU 50 N 1.81 3.24 0.04 2.72 2.02 -0.81 -4.88 118.70 122.84 1q94 s GLU 50 Ca 0.03 -0.33 -0.01 0.00 0.02 0.00 0.00 54.97 54.68 1q94 s GLU 50 Cb -0.14 -2.55 -0.03 0.00 0.10 0.00 0.00 34.13 31.51 1q94 s GLU 50 CO -0.07 -0.16 -0.02 -3.38 0.02 0.00 0.00 175.26 171.66 1q94 s HIS 51 N -2.53 0.42 0.90 1.61 -3.43 -1.26 -0.98 115.29 110.02 1q94 s HIS 51 Ca 0.46 -0.88 -0.13 0.00 -0.80 0.00 0.00 55.06 53.72 1q94 s HIS 51 Cb -0.10 -0.31 0.13 0.00 -1.43 0.00 0.00 32.58 30.87 1q94 s HIS 51 CO 0.39 -0.33 1.16 -1.54 -2.00 0.00 0.00 174.74 172.42 1q94 s SER 52 N -2.48 3.63 0.17 7.38 1.04 0.47 -4.98 113.70 118.94 1q94 s SER 52 Ca 0.00 0.85 -0.30 0.00 0.48 0.00 0.00 55.95 56.98 1q94 s SER 52 Cb 0.03 -1.34 -0.07 0.00 0.10 0.00 0.00 66.02 64.73 1q94 s SER 52 CO -0.07 -2.47 1.00 -1.81 0.98 0.00 0.00 173.24 170.87 1q94 s ASP 53 N -4.23 7.48 -0.13 7.02 -0.00 -1.26 -4.70 116.67 120.84 1q94 s ASP 53 Ca 0.64 1.94 -0.37 0.00 -0.00 0.00 0.00 52.55 54.76 1q94 s ASP 53 Cb -0.13 -2.60 -0.14 0.00 -0.00 0.00 0.00 42.92 40.05 1q94 s ASP 53 CO 0.52 -0.04 1.72 -0.11 -0.00 0.00 0.00 175.17 177.26 1q94 n LEU 54 N 2.21 2.69 -4.18 1.23 7.94 -1.26 -4.96 117.00 120.67 1q94 n LEU 54 Ca 0.01 1.05 -0.15 0.00 -1.11 0.00 0.00 56.01 55.81 1q94 n LEU 54 Cb 0.48 -1.25 -0.07 0.00 0.53 0.00 0.00 43.42 43.10 1q94 n LEU 54 CO 0.52 -0.38 -0.06 -0.55 -1.11 0.00 0.00 177.39 175.80 1q94 s SER 55 N 3.04 0.78 0.07 1.96 0.15 -1.25 -5.06 113.70 113.40 1q94 s SER 55 Ca 0.93 -1.48 -0.08 0.00 0.70 0.00 0.00 55.95 56.02 1q94 s SER 55 Cb -0.90 0.53 -0.00 0.00 -1.71 0.00 0.00 66.02 63.93 1q94 s SER 55 CO 0.56 -1.05 0.17 0.72 1.20 0.00 0.00 173.24 174.84 1q94 s PHE 56 N -3.66 0.16 0.64 3.44 -0.12 -1.26 -2.09 117.98 115.10 1q94 s PHE 56 Ca 0.36 -0.55 -0.04 0.00 -0.05 0.00 0.00 56.93 56.64 1q94 s PHE 56 Cb 0.03 -0.08 0.14 0.00 -0.63 0.00 0.00 43.02 42.47 1q94 s PHE 56 CO 0.19 -0.50 0.88 0.43 -0.05 0.00 0.00 175.22 176.17 1q94 n SER 57 N 0.15 0.74 0.27 1.98 7.64 -0.21 -4.95 113.62 119.25 1q94 n SER 57 Ca -0.16 -1.73 0.16 0.00 1.01 0.00 0.00 58.87 58.15 1q94 n SER 57 Cb 0.61 -0.61 0.67 0.00 -1.01 0.00 0.00 64.21 63.88 1q94 n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1q94 h LYS 58 N 0.00 0.00 -0.14 1.43 1.57 -2.03 -2.17 116.57 115.24 1q94 h LYS 58 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1q94 h LYS 58 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1q94 h LYS 58 CO 0.27 0.05 0.00 -0.40 -0.57 0.00 0.00 179.45 178.79 1q94 n ASP 59 N -3.17 0.94 0.00 0.86 3.85 -1.26 -4.89 116.55 112.88 1q94 n ASP 59 Ca 0.00 -1.78 0.00 0.00 -0.71 0.00 0.00 54.79 52.30 1q94 n ASP 59 Cb 0.31 -0.09 0.00 0.00 -1.35 0.00 0.00 41.12 39.99 1q94 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 1q94 n TRP 60 N -0.08 0.00 -2.32 2.11 7.02 -0.82 -5.03 117.44 118.32 1q94 n TRP 60 Ca 0.11 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.20 1q94 n TRP 60 Cb 0.18 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.05 1q94 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1q94 s SER 61 N -3.49 6.68 0.64 -0.99 1.04 -1.26 -4.68 113.70 111.64 1q94 s SER 61 Ca 0.00 2.35 -0.10 0.00 0.48 0.00 0.00 55.95 58.68 1q94 s SER 61 Cb 0.00 -2.62 -0.00 0.00 0.10 0.00 0.00 66.02 63.50 1q94 s SER 61 CO 0.00 -0.57 1.01 -0.36 0.98 0.00 0.00 173.24 174.31 1q94 s PHE 62 N -1.37 3.39 -0.09 5.02 0.08 -0.60 -1.04 117.98 123.36 1q94 s PHE 62 Ca 0.54 0.98 -0.18 0.00 0.12 0.00 0.00 56.93 58.40 1q94 s PHE 62 Cb -0.31 -2.87 0.04 0.00 -0.57 0.00 0.00 43.02 39.31 1q94 s PHE 62 CO 0.39 -0.93 0.43 1.52 -0.10 0.00 0.00 175.22 176.53 1q94 s TYR 63 N -3.19 -0.40 0.04 0.36 -0.85 -0.89 -0.88 117.35 111.54 1q94 s TYR 63 Ca 0.56 0.84 -0.04 0.00 -0.52 0.00 0.00 57.07 57.90 1q94 s TYR 63 Cb -0.11 0.18 -0.01 0.00 0.38 0.00 0.00 41.96 42.39 1q94 s TYR 63 CO 0.50 -0.35 0.07 -0.51 -1.52 0.00 0.00 175.55 173.74 1q94 s LEU 64 N -0.56 1.92 -0.10 -3.49 1.02 0.19 -3.78 118.68 113.88 1q94 s LEU 64 Ca -0.07 -0.58 0.01 0.00 0.02 0.00 0.00 54.13 53.51 1q94 s LEU 64 Cb -0.03 0.51 0.02 0.00 0.02 0.00 0.00 46.19 46.70 1q94 s LEU 64 CO 0.03 -0.50 -0.11 -0.22 0.02 0.00 0.00 176.35 175.57 1q94 s LEU 65 N -2.14 1.50 0.04 1.79 2.96 -1.26 -1.53 118.68 120.04 1q94 s LEU 65 Ca -0.05 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.55 1q94 s LEU 65 Cb -0.01 -0.92 -0.04 0.00 0.50 0.00 0.00 46.19 45.72 1q94 s LEU 65 CO -0.05 -0.04 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.60 1q94 s TYR 66 N 1.20 2.95 -0.15 5.38 1.51 -0.14 -0.39 117.35 127.71 1q94 s TYR 66 Ca -0.04 -0.02 -0.28 0.00 -1.01 0.00 0.00 57.07 55.73 1q94 s TYR 66 Cb -0.14 -1.59 0.07 0.00 -0.11 0.00 0.00 41.96 40.19 1q94 s TYR 66 CO -0.03 0.43 0.69 1.52 -1.11 0.00 0.00 175.55 177.05 1q94 s TYR 67 N -1.13 -0.71 -0.03 2.71 1.13 -0.15 -1.65 117.35 117.52 1q94 s TYR 67 Ca 0.20 1.49 -0.13 0.00 -1.41 0.00 0.00 57.07 57.22 1q94 s TYR 67 Cb -0.11 0.34 0.02 0.00 -1.10 0.00 0.00 41.96 41.11 1q94 s TYR 67 CO 0.12 -0.50 0.28 -0.08 -2.51 0.00 0.00 175.55 172.86 1q94 s THR 68 N -0.47 0.05 0.35 -3.49 -1.32 -1.07 -1.92 115.64 107.77 1q94 s THR 68 Ca -0.06 -0.41 -0.28 0.00 -1.21 0.00 0.00 61.69 59.74 1q94 s THR 68 Cb -0.02 -0.55 -0.10 0.00 -1.51 0.00 0.00 72.50 70.33 1q94 s THR 68 CO 0.06 -0.22 1.25 -1.61 -2.21 0.00 0.00 174.62 171.88 1q94 s GLU 69 N -1.02 4.27 -0.07 7.08 2.02 -1.26 -0.71 118.70 129.01 1q94 s GLU 69 Ca -0.11 2.07 -0.30 0.00 0.02 0.00 0.00 54.97 56.66 1q94 s GLU 69 Cb -0.05 -2.95 0.09 0.00 0.10 0.00 0.00 34.13 31.32 1q94 s GLU 69 CO 0.03 -0.21 0.80 -0.59 0.02 0.00 0.00 175.26 175.31 1q94 s PHE 70 N -1.22 -0.52 -0.21 1.61 -0.71 -0.87 -4.85 117.98 111.20 1q94 s PHE 70 Ca 0.51 0.83 0.01 0.00 -1.04 0.00 0.00 56.93 57.24 1q94 s PHE 70 Cb -0.37 0.44 0.03 0.00 -1.21 0.00 0.00 43.02 41.92 1q94 s PHE 70 CO 0.48 -0.53 -0.15 0.95 -1.34 0.00 0.00 175.22 174.63 1q94 s THR 71 N -1.50 2.29 1.04 -4.49 -4.23 -1.26 -0.44 115.64 107.05 1q94 s THR 71 Ca -0.06 -1.12 -0.13 0.00 -1.18 0.00 0.00 61.69 59.20 1q94 s THR 71 Cb -0.00 -2.10 0.15 0.00 1.34 0.00 0.00 72.50 71.89 1q94 s THR 71 CO 0.04 0.32 0.69 -2.65 -0.54 0.00 0.00 174.62 172.49 1q94 n PRO 72 N 4.59 -1.24 -3.65 3.99 -0.02 -1.26 -4.77 135.00 132.64 1q94 n PRO 72 Ca -0.18 -0.32 -0.11 0.00 -2.02 0.00 0.00 63.50 60.87 1q94 n PRO 72 Cb 0.47 -2.05 -0.07 0.00 -0.02 0.00 0.00 33.50 31.83 1q94 n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1q94 s THR 73 N -2.43 -0.00 0.51 3.45 -4.23 -1.26 -2.51 115.64 109.16 1q94 s THR 73 Ca 0.63 0.01 0.36 0.00 -1.18 0.00 0.00 61.69 61.50 1q94 s THR 73 Cb -0.21 -0.95 0.56 0.00 1.34 0.00 0.00 72.50 73.24 1q94 s THR 73 CO 0.64 0.00 1.72 -0.33 -0.54 0.00 0.00 174.62 176.11 1q94 h GLU 74 N 6.03 0.08 0.13 3.99 5.08 -1.98 -2.47 114.58 125.43 1q94 h GLU 74 Ca -0.30 -0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.74 1q94 h GLU 74 Cb 1.19 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1q94 h GLU 74 CO 0.13 0.05 -1.58 1.57 -1.00 0.00 0.00 179.01 178.17 1q94 h LYS 75 N 0.08 0.28 -6.83 2.33 2.10 -2.02 -3.48 116.57 109.02 1q94 h LYS 75 Ca 0.69 -0.48 -0.51 0.00 -2.00 0.00 0.00 60.65 58.35 1q94 h LYS 75 Cb 2.51 0.18 0.04 0.00 -0.90 0.00 0.00 32.23 34.06 1q94 h LYS 75 CO -0.12 1.15 0.56 -0.51 -2.00 0.00 0.00 179.45 178.53 1q94 s ASP 76 N -7.04 7.02 -0.27 7.07 -0.00 -0.93 -5.03 116.67 117.49 1q94 s ASP 76 Ca -0.10 2.47 -0.05 0.00 -0.00 0.00 0.00 52.55 54.86 1q94 s ASP 76 Cb 0.06 -2.64 0.00 0.00 -0.00 0.00 0.00 42.92 40.35 1q94 s ASP 76 CO 0.85 -0.34 0.03 -0.70 -0.00 0.00 0.00 175.17 175.01 1q94 s GLU 77 N -1.54 3.20 0.05 8.23 2.12 -1.26 -4.83 118.70 124.66 1q94 s GLU 77 Ca 0.47 -0.77 0.07 0.00 0.36 0.00 0.00 54.97 55.10 1q94 s GLU 77 Cb -0.36 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 30.77 1q94 s GLU 77 CO 0.46 -0.35 -0.16 0.71 -0.54 0.00 0.00 175.26 175.39 1q94 s TYR 78 N 1.49 2.62 0.14 5.30 1.51 -1.26 0.05 117.35 127.21 1q94 s TYR 78 Ca 0.03 -0.21 -0.24 0.00 -1.01 0.00 0.00 57.07 55.64 1q94 s TYR 78 Cb -0.16 -1.47 0.07 0.00 -0.11 0.00 0.00 41.96 40.29 1q94 s TYR 78 CO 0.00 0.30 0.66 0.00 -1.11 0.00 0.00 175.55 175.41 1q94 s ALA 79 N -0.99 -1.61 -0.16 3.71 0.00 -0.52 -0.81 121.76 121.39 1q94 s ALA 79 Ca 0.16 0.50 -0.07 0.00 0.00 0.00 0.00 51.96 52.55 1q94 s ALA 79 Cb -0.11 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1q94 s ALA 79 CO 0.07 -0.78 0.10 0.00 0.00 0.00 0.00 175.76 175.14 1q94 s ARG 81 N -0.21 2.29 -0.11 0.00 3.52 0.12 -1.82 118.95 122.75 1q94 s ARG 81 Ca 0.09 -1.35 -0.00 0.00 -0.13 0.00 0.00 55.73 54.34 1q94 s ARG 81 Cb -0.12 -3.08 -0.02 0.00 -1.56 0.00 0.00 34.95 30.17 1q94 s ARG 81 CO 0.01 -0.63 -0.09 0.08 -0.81 0.00 0.00 175.30 173.85 1q94 s VAL 82 N 1.17 3.43 -0.08 7.11 1.01 -0.72 -1.24 120.40 131.07 1q94 s VAL 82 Ca -0.05 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1q94 s VAL 82 Cb -0.20 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.76 1q94 s VAL 82 CO -0.03 0.55 -0.13 0.21 0.00 0.00 0.00 175.10 175.69 1q94 s ASN 83 N -0.12 2.04 -0.00 3.32 2.47 0.56 -1.25 114.94 121.97 1q94 s ASN 83 Ca 0.00 -0.34 -0.04 0.00 0.42 0.00 0.00 52.86 52.90 1q94 s ASN 83 Cb -0.13 -0.92 -0.00 0.00 -1.45 0.00 0.00 41.25 38.74 1q94 s ASN 83 CO 0.03 0.03 0.08 -2.28 -3.72 0.00 0.00 177.10 171.24 1q94 s HIS 84 N 0.79 0.07 0.02 0.43 5.65 -1.26 -1.66 115.29 119.34 1q94 s HIS 84 Ca -0.12 -0.17 0.16 0.00 0.25 0.00 0.00 55.06 55.18 1q94 s HIS 84 Cb -0.16 -0.07 0.84 0.00 -1.18 0.00 0.00 32.58 32.02 1q94 s HIS 84 CO 0.02 -0.21 1.40 -0.24 -0.65 0.00 0.00 174.74 175.06 1q94 h VAL 85 N 4.53 0.00 -0.01 0.89 3.04 -1.97 1.00 116.25 123.74 1q94 h VAL 85 Ca -0.30 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1q94 h VAL 85 Cb 1.20 0.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 1q94 h VAL 85 CO 0.41 0.00 -0.12 1.07 -1.01 0.00 0.00 177.57 177.93 1q94 n THR 86 N -2.14 0.00 -4.35 3.17 5.66 -1.26 -4.84 114.28 110.53 1q94 n THR 86 Ca -0.01 -0.16 -0.34 0.00 -3.05 0.00 0.00 64.05 60.49 1q94 n THR 86 Cb 0.28 0.30 -0.11 0.00 -1.55 0.00 0.00 70.33 69.24 1q94 n THR 86 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1q94 s LEU 87 N -2.27 3.40 0.61 1.09 1.43 0.35 -4.92 118.68 118.36 1q94 s LEU 87 Ca 0.32 -0.04 0.37 0.00 -1.03 0.00 0.00 54.13 53.75 1q94 s LEU 87 Cb 0.20 -1.81 1.97 0.00 0.03 0.00 0.00 46.19 46.58 1q94 s LEU 87 CO 0.43 0.22 2.23 0.28 0.23 0.00 0.00 176.35 179.74 1q94 h SER 88 N 6.34 0.00 -5.57 2.29 0.02 -1.88 -3.45 113.55 111.29 1q94 h SER 88 Ca -0.36 0.00 0.25 0.00 -0.84 0.00 0.00 61.79 60.84 1q94 h SER 88 Cb 1.19 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.64 1q94 h SER 88 CO 0.62 0.02 0.68 0.00 -1.14 0.00 0.00 176.83 177.01 1q94 s GLN 89 N -4.16 0.81 0.30 3.45 -2.07 -1.26 -5.14 119.66 111.60 1q94 s GLN 89 Ca -0.04 -0.47 -0.30 0.00 -1.82 0.00 0.00 55.36 52.74 1q94 s GLN 89 Cb 0.13 0.26 -0.12 0.00 -1.09 0.00 0.00 33.01 32.19 1q94 s GLN 89 CO 0.49 -0.37 1.43 -2.30 -1.32 0.00 0.00 175.29 173.22 1q94 n PRO 90 N -0.55 2.33 -3.58 9.60 -0.02 -1.26 -4.83 135.00 136.69 1q94 n PRO 90 Ca -0.06 0.82 -0.37 0.00 -2.02 0.00 0.00 63.50 61.87 1q94 n PRO 90 Cb 0.61 -2.50 -0.09 0.00 -0.02 0.00 0.00 33.50 31.50 1q94 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1q94 s LYS 91 N -1.10 4.08 -0.34 -0.52 2.47 -0.38 -4.96 119.74 119.00 1q94 s LYS 91 Ca 0.61 -0.15 -0.04 0.00 -1.56 0.00 0.00 55.97 54.84 1q94 s LYS 91 Cb -0.56 -3.55 0.06 0.00 -1.46 0.00 0.00 37.83 32.31 1q94 s LYS 91 CO 0.55 0.00 0.09 0.42 0.16 0.00 0.00 175.35 176.57 1q94 s ILE 92 N 1.23 3.38 -0.23 5.43 1.01 -1.26 -1.75 121.20 129.00 1q94 s ILE 92 Ca 0.11 -1.42 -0.06 0.00 0.00 0.00 0.00 60.65 59.28 1q94 s ILE 92 Cb -0.14 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 1q94 s ILE 92 CO 0.06 -0.26 0.03 -0.69 0.00 0.00 0.00 174.94 174.09 1q94 s VAL 93 N 1.29 4.08 0.06 2.92 1.01 -0.76 -4.98 120.40 124.03 1q94 s VAL 93 Ca -0.01 -0.26 -0.19 0.00 0.00 0.00 0.00 61.98 61.52 1q94 s VAL 93 Cb -0.20 -2.88 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 1q94 s VAL 93 CO -0.00 0.38 0.56 -1.59 0.00 0.00 0.00 175.10 174.45 1q94 s LYS 94 N 1.39 4.20 -0.28 2.72 -2.85 -1.26 -0.25 119.74 123.41 1q94 s LYS 94 Ca 0.05 0.72 -0.29 0.00 -1.00 0.00 0.00 55.97 55.46 1q94 s LYS 94 Cb -0.15 -3.24 -0.02 0.00 -2.06 0.00 0.00 37.83 32.36 1q94 s LYS 94 CO 0.02 0.62 1.68 -0.46 0.10 0.00 0.00 175.35 177.31 1q94 s TRP 95 N -1.05 2.00 -0.50 1.78 -0.00 0.01 -4.93 118.94 116.26 1q94 s TRP 95 Ca 0.29 0.57 -0.12 0.00 -0.00 0.00 0.00 56.10 56.84 1q94 s TRP 95 Cb -0.19 -4.07 0.12 0.00 -0.00 0.00 0.00 33.47 29.32 1q94 s TRP 95 CO 0.19 -2.89 0.41 0.34 -0.00 0.00 0.00 176.95 174.99 1q94 s ASP 96 N 4.94 5.94 0.00 5.86 -1.08 -1.26 -4.79 116.67 126.27 1q94 s ASP 96 Ca 0.74 -1.81 0.00 0.00 -0.52 0.00 0.00 52.55 50.96 1q94 s ASP 96 Cb -0.23 -2.11 0.00 0.00 -1.46 0.00 0.00 42.92 39.12 1q94 s ASP 96 CO 0.31 -0.76 0.81 -2.11 0.52 0.00 0.00 175.17 173.95 1q94 n ARG 97 N 5.07 0.00 0.00 4.34 1.85 -1.26 -4.03 116.66 122.63 1q94 n ARG 97 Ca -0.11 0.35 0.00 0.00 -1.00 0.00 0.00 57.85 57.10 1q94 n ARG 97 Cb 0.41 -1.33 0.00 0.00 -1.05 0.00 0.00 32.46 30.49 1q94 n ARG 97 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1q94 n ASP 98 N -1.56 0.00 0.00 2.89 5.75 -1.26 -4.98 116.55 117.39 1q94 n ASP 98 Ca 0.00 0.49 0.00 0.00 -0.01 0.00 0.00 54.79 55.27 1q94 n ASP 98 Cb 0.00 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1q94 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32