#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q94 h ILE 1 N 0.00 0.47 -4.85 1.12 6.09 -2.06 -3.47 117.51 114.81 1q94 h ILE 1 Ca 0.00 -0.17 -0.13 0.00 -1.37 0.00 0.00 64.86 63.19 1q94 h ILE 1 Cb 0.00 -0.06 0.01 0.00 0.47 0.00 0.00 36.82 37.24 1q94 h ILE 1 CO 0.00 0.09 -0.75 0.00 -3.07 0.00 0.00 178.15 174.42 1q94 n GLN 2 N -4.95 -0.71 -4.69 2.19 1.13 -1.25 -4.96 117.38 104.14 1q94 n GLN 2 Ca 0.27 0.73 -0.34 0.00 -1.94 0.00 0.00 57.00 55.72 1q94 n GLN 2 Cb 0.78 -0.98 -0.12 0.00 0.11 0.00 0.00 30.24 30.03 1q94 n GLN 2 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1q94 s ARG 3 N -1.14 2.79 0.15 -1.09 0.52 0.36 -4.92 118.95 115.62 1q94 s ARG 3 Ca 0.12 -0.59 -0.29 0.00 -0.52 0.00 0.00 55.73 54.45 1q94 s ARG 3 Cb -0.01 -2.56 -0.07 0.00 0.52 0.00 0.00 34.95 32.83 1q94 s ARG 3 CO 0.28 0.60 0.92 0.99 0.02 0.00 0.00 175.30 178.11 1q94 s THR 4 N -0.64 4.38 0.26 0.02 2.01 -1.26 -1.85 115.64 118.56 1q94 s THR 4 Ca 0.10 2.00 -0.29 0.00 0.31 0.00 0.00 61.69 63.80 1q94 s THR 4 Cb -0.11 -4.29 -0.09 0.00 0.01 0.00 0.00 72.50 68.02 1q94 s THR 4 CO 0.02 0.40 1.15 -2.16 -0.69 0.00 0.00 174.62 173.33 1q94 s PRO 5 N -0.47 4.57 0.10 4.92 0.04 -1.26 -4.34 135.00 138.56 1q94 s PRO 5 Ca 0.43 1.87 -0.20 0.00 0.04 0.00 0.00 61.00 63.15 1q94 s PRO 5 Cb -0.24 -3.19 -0.07 0.00 0.04 0.00 0.00 34.50 31.04 1q94 s PRO 5 CO 0.29 0.08 0.61 0.15 0.04 0.00 0.00 177.00 178.18 1q94 s LYS 6 N -1.16 4.25 -0.02 4.56 1.02 0.12 -4.86 119.74 123.64 1q94 s LYS 6 Ca 0.47 0.80 0.06 0.00 0.02 0.00 0.00 55.97 57.32 1q94 s LYS 6 Cb -0.33 -3.19 -0.01 0.00 -0.52 0.00 0.00 37.83 33.77 1q94 s LYS 6 CO 0.41 0.60 -0.19 0.42 -0.92 0.00 0.00 175.35 175.67 1q94 s ILE 7 N -1.17 1.54 -0.04 2.17 1.01 -1.26 -1.33 121.20 122.12 1q94 s ILE 7 Ca 0.32 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 1q94 s ILE 7 Cb -0.20 -1.28 0.03 0.00 0.01 0.00 0.00 42.46 41.02 1q94 s ILE 7 CO 0.20 0.44 0.07 -1.10 0.00 0.00 0.00 174.94 174.55 1q94 s GLN 8 N -0.40 -0.05 -0.22 2.79 -0.21 -0.89 -4.98 119.66 115.70 1q94 s GLN 8 Ca 0.06 0.35 -0.04 0.00 0.02 0.00 0.00 55.36 55.75 1q94 s GLN 8 Cb -0.08 -0.40 -0.01 0.00 1.00 0.00 0.00 33.01 33.52 1q94 s GLN 8 CO -0.00 -0.28 -0.03 0.08 -2.12 0.00 0.00 175.29 172.94 1q94 s VAL 9 N 1.83 3.50 0.22 1.09 1.01 -1.26 -0.79 120.40 126.00 1q94 s VAL 9 Ca 0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.37 1q94 s VAL 9 Cb -0.12 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.68 1q94 s VAL 9 CO -0.03 0.42 0.53 -0.72 0.00 0.00 0.00 175.10 175.29 1q94 s TYR 10 N 1.45 0.01 0.17 5.22 1.13 -0.40 -4.52 117.35 120.41 1q94 s TYR 10 Ca 0.05 -0.38 -0.06 0.00 -1.41 0.00 0.00 57.07 55.27 1q94 s TYR 10 Cb -0.14 0.37 -0.06 0.00 -1.10 0.00 0.00 41.96 41.02 1q94 s TYR 10 CO -0.02 -0.97 0.43 -1.54 -2.51 0.00 0.00 175.55 170.94 1q94 s SER 11 N -2.92 6.54 0.05 -0.18 1.04 -1.26 0.11 113.70 117.07 1q94 s SER 11 Ca 0.13 0.70 -0.23 0.00 0.48 0.00 0.00 55.95 57.03 1q94 s SER 11 Cb -0.01 -2.14 -0.15 0.00 0.10 0.00 0.00 66.02 63.82 1q94 s SER 11 CO 0.02 0.02 1.51 -0.09 0.98 0.00 0.00 173.24 175.68 1q94 h ARG 12 N 2.77 0.13 -6.20 4.02 2.43 -1.14 -3.45 114.38 112.94 1q94 h ARG 12 Ca -0.46 -0.03 -0.53 0.00 -0.81 0.00 0.00 59.98 58.15 1q94 h ARG 12 Cb 1.17 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.63 1q94 h ARG 12 CO 0.71 0.34 -0.57 -1.01 -1.51 0.00 0.00 179.97 177.93 1q94 s HIS 13 N -5.18 2.92 0.21 2.20 3.76 -1.26 -5.05 115.29 112.89 1q94 s HIS 13 Ca -0.14 -0.17 -0.32 0.00 -0.15 0.00 0.00 55.06 54.27 1q94 s HIS 13 Cb 0.05 -1.33 -0.14 0.00 1.11 0.00 0.00 32.58 32.27 1q94 s HIS 13 CO 0.69 0.55 1.46 -2.30 -0.85 0.00 0.00 174.74 174.28 1q94 n PRO 14 N -1.07 2.04 -1.21 8.40 -0.02 -1.26 -4.86 135.00 137.02 1q94 n PRO 14 Ca -0.07 0.73 -0.35 0.00 -2.02 0.00 0.00 63.50 61.79 1q94 n PRO 14 Cb 0.58 -2.42 0.10 0.00 -0.02 0.00 0.00 33.50 31.75 1q94 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q94 n ALA 15 N 2.41 -0.49 -3.15 3.55 0.00 -1.26 -5.02 120.51 116.54 1q94 n ALA 15 Ca 0.14 -0.28 0.04 0.00 0.00 0.00 0.00 53.44 53.33 1q94 n ALA 15 Cb 0.30 -2.11 -0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 -3.59 0.49 -0.46 0.00 2.12 -1.26 -5.11 118.70 110.90 1q94 s GLU 16 Ca 0.71 0.39 -0.41 0.00 0.36 0.00 0.00 54.97 56.02 1q94 s GLU 16 Cb -0.31 0.20 -0.18 0.00 0.26 0.00 0.00 34.13 34.09 1q94 s GLU 16 CO 0.53 -0.89 1.75 0.09 -0.54 0.00 0.00 175.26 176.19 1q94 n ASN 17 N 5.24 0.86 0.00 -1.70 4.13 -1.26 -0.42 115.26 122.11 1q94 n ASN 17 Ca 0.06 0.81 0.00 0.00 1.68 0.00 0.00 54.58 57.13 1q94 n ASN 17 Cb 0.55 -0.81 0.00 0.00 -1.54 0.00 0.00 39.78 37.98 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 5.51 0.71 3.19 7.41 0.00 -0.79 -4.97 105.19 116.26 1q94 n GLY 18 Ca 0.41 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.93 2.91 0.17 1.61 1.02 0.44 -5.05 119.74 119.92 1q94 s LYS 19 Ca 0.00 -0.83 -0.33 0.00 0.02 0.00 0.00 55.97 54.83 1q94 s LYS 19 Cb 0.00 -2.23 -0.15 0.00 -0.52 0.00 0.00 37.83 34.93 1q94 s LYS 19 CO 0.00 0.14 1.26 0.45 -0.92 0.00 0.00 175.35 176.28 1q94 n SER 20 N 3.62 1.72 -0.92 2.83 2.88 -1.26 -4.42 113.62 118.07 1q94 n SER 20 Ca -0.19 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1q94 n SER 20 Cb 0.53 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 1q94 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1q94 n ASN 21 N 2.20 0.00 -3.93 -3.46 2.85 0.16 -4.99 115.26 108.09 1q94 n ASN 21 Ca 0.15 -0.92 -0.23 0.00 -0.11 0.00 0.00 54.58 53.47 1q94 n ASN 21 Cb 0.25 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.10 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 -4.72 1.10 -0.23 1.20 0.40 -1.26 -1.28 117.98 113.19 1q94 s PHE 22 Ca 0.00 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 55.81 1q94 s PHE 22 Cb 0.00 -0.90 -0.05 0.00 0.51 0.00 0.00 43.02 42.58 1q94 s PHE 22 CO 0.00 -0.28 0.22 -1.17 0.70 0.00 0.00 175.22 174.69 1q94 s LEU 23 N 1.04 4.13 0.14 -0.37 2.96 0.88 -0.44 118.68 127.01 1q94 s LEU 23 Ca -0.08 0.22 0.07 0.00 -0.22 0.00 0.00 54.13 54.12 1q94 s LEU 23 Cb -0.14 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 1q94 s LEU 23 CO -0.00 0.03 -0.06 0.20 -1.32 0.00 0.00 176.35 175.19 1q94 s ASN 24 N 1.04 4.50 -0.25 3.68 0.01 0.29 -2.09 114.94 122.13 1q94 s ASN 24 Ca 0.11 -0.43 -0.04 0.00 -0.71 0.00 0.00 52.86 51.78 1q94 s ASN 24 Cb -0.14 -0.88 0.09 0.00 0.41 0.00 0.00 41.25 40.73 1q94 s ASN 24 CO 0.05 0.13 0.12 0.00 -1.51 0.00 0.00 177.10 175.89 1q94 s TYR 26 N 2.12 3.21 -0.19 0.00 5.04 0.03 -2.31 117.35 125.26 1q94 s TYR 26 Ca 0.07 -0.05 -0.05 0.00 -2.44 0.00 0.00 57.07 54.60 1q94 s TYR 26 Cb -0.16 -2.66 -0.03 0.00 0.35 0.00 0.00 41.96 39.46 1q94 s TYR 26 CO -0.28 -0.43 -0.01 0.14 -1.34 0.00 0.00 175.55 173.62 1q94 s VAL 27 N 2.00 3.94 0.30 3.14 -7.23 0.04 -2.09 120.40 120.50 1q94 s VAL 27 Ca 0.11 -0.33 0.01 0.00 -1.81 0.00 0.00 61.98 59.97 1q94 s VAL 27 Cb -0.17 -2.76 -0.02 0.00 0.56 0.00 0.00 36.38 33.99 1q94 s VAL 27 CO 0.12 0.45 0.32 -0.94 -0.31 0.00 0.00 175.10 174.74 1q94 s SER 28 N 0.80 0.96 -1.70 4.85 1.04 -0.44 -0.13 113.70 119.08 1q94 s SER 28 Ca -0.00 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 54.90 1q94 s SER 28 Cb -0.14 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1q94 s SER 28 CO 0.02 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.76 1q94 n GLY 29 N -0.51 1.58 3.80 7.32 0.00 -0.90 0.11 105.19 116.58 1q94 n GLY 29 Ca 0.04 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.49 3.19 -0.26 1.61 -0.71 -1.15 -4.17 117.98 113.99 1q94 s PHE 30 Ca 0.00 0.04 -0.21 0.00 -1.04 0.00 0.00 56.93 55.71 1q94 s PHE 30 Cb 0.00 -1.57 0.07 0.00 -1.21 0.00 0.00 43.02 40.31 1q94 s PHE 30 CO 0.00 0.52 0.68 -1.58 -1.34 0.00 0.00 175.22 173.50 1q94 s HIS 31 N -1.58 -0.83 1.33 3.49 2.46 -0.77 -1.03 115.29 118.36 1q94 s HIS 31 Ca 0.30 1.89 -0.22 0.00 0.47 0.00 0.00 55.06 57.51 1q94 s HIS 31 Cb -0.11 0.35 0.33 0.00 -0.13 0.00 0.00 32.58 33.03 1q94 s HIS 31 CO 0.23 -0.40 1.03 -1.25 -2.47 0.00 0.00 174.74 171.88 1q94 s PRO 32 N 0.71 -2.23 0.36 2.88 0.04 -1.26 -0.48 135.00 135.02 1q94 s PRO 32 Ca -0.03 -0.07 0.11 0.00 0.04 0.00 0.00 61.00 61.05 1q94 s PRO 32 Cb -0.05 -1.48 0.69 0.00 0.04 0.00 0.00 34.50 33.70 1q94 s PRO 32 CO -0.05 -4.37 1.82 0.66 0.04 0.00 0.00 177.00 175.10 1q94 h SER 33 N -3.05 0.09 -2.28 6.66 4.64 -1.99 -3.45 113.55 114.16 1q94 h SER 33 Ca -0.42 -0.03 -0.60 0.00 -0.47 0.00 0.00 61.79 60.27 1q94 h SER 33 Cb 1.31 -0.02 0.06 0.00 -0.31 0.00 0.00 62.40 63.44 1q94 h SER 33 CO 0.28 0.42 0.70 0.47 -0.87 0.00 0.00 176.83 177.83 1q94 n ASP 34 N -4.12 2.79 -3.53 4.97 8.00 -1.26 -4.97 116.55 118.43 1q94 n ASP 34 Ca -0.02 1.10 -0.14 0.00 0.71 0.00 0.00 54.79 56.45 1q94 n ASP 34 Cb 0.39 -1.39 -0.05 0.00 -0.02 0.00 0.00 41.12 40.05 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 0.61 0.00 -0.08 0.53 2.07 -1.26 -4.74 121.20 118.33 1q94 s ILE 35 Ca 0.77 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 60.06 1q94 s ILE 35 Cb -0.71 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 40.88 1q94 s ILE 35 CO 0.42 0.00 -0.24 -1.61 -1.91 0.00 0.00 174.94 171.60 1q94 s GLU 36 N -1.60 2.75 -0.09 3.50 2.02 -0.20 -4.97 118.70 120.10 1q94 s GLU 36 Ca -0.05 -0.86 -0.04 0.00 0.02 0.00 0.00 54.97 54.05 1q94 s GLU 36 Cb -0.00 -2.17 0.05 0.00 0.10 0.00 0.00 34.13 32.10 1q94 s GLU 36 CO 0.03 0.25 0.19 0.08 0.02 0.00 0.00 175.26 175.83 1q94 s VAL 37 N 0.15 -0.21 0.01 2.63 1.01 -1.26 0.22 120.40 122.96 1q94 s VAL 37 Ca -0.12 0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.19 1q94 s VAL 37 Cb -0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 1q94 s VAL 37 CO 0.06 0.11 -0.18 -1.81 0.00 0.00 0.00 175.10 173.28 1q94 s ASP 38 N 1.91 2.17 -0.27 3.32 1.01 -0.30 -4.99 116.67 119.52 1q94 s ASP 38 Ca -0.02 -0.41 -0.11 0.00 0.71 0.00 0.00 52.55 52.71 1q94 s ASP 38 Cb -0.12 -0.21 -0.05 0.00 1.01 0.00 0.00 42.92 43.56 1q94 s ASP 38 CO -0.07 0.17 0.21 -0.76 0.21 0.00 0.00 175.17 174.93 1q94 s LEU 39 N -0.79 4.05 0.16 1.23 1.43 -1.26 -0.50 118.68 123.00 1q94 s LEU 39 Ca 0.06 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 1q94 s LEU 39 Cb -0.08 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1q94 s LEU 39 CO 0.00 -0.04 0.24 -0.76 0.23 0.00 0.00 176.35 176.03 1q94 s LEU 40 N 1.62 4.16 -0.21 1.79 1.43 0.43 -1.51 118.68 126.38 1q94 s LEU 40 Ca 0.08 0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.21 1q94 s LEU 40 Cb -0.15 -2.74 0.07 0.00 0.03 0.00 0.00 46.19 43.39 1q94 s LEU 40 CO 0.09 0.05 0.06 -0.75 0.23 0.00 0.00 176.35 176.04 1q94 s LYS 41 N -3.26 0.46 -1.48 1.70 2.20 0.18 -2.00 119.74 117.55 1q94 s LYS 41 Ca 0.33 -0.42 -0.06 0.00 -0.36 0.00 0.00 55.97 55.47 1q94 s LYS 41 Cb -0.11 -1.93 0.01 0.00 -1.51 0.00 0.00 37.83 34.29 1q94 s LYS 41 CO 0.27 -0.72 0.79 0.09 -0.36 0.00 0.00 175.35 175.42 1q94 n ASN 42 N 5.11 -6.19 0.00 1.43 3.02 0.39 -1.64 115.26 117.37 1q94 n ASN 42 Ca -0.07 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 1q94 n ASN 42 Cb 0.47 -4.95 0.00 0.00 -0.61 0.00 0.00 39.78 34.69 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 -1.68 0.49 3.11 7.41 0.00 -1.26 -5.03 105.19 108.23 1q94 n GLY 43 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.14 2.24 0.04 1.61 2.02 -0.65 -5.06 118.70 118.76 1q94 s GLU 44 Ca 0.00 -0.61 -0.36 0.00 0.02 0.00 0.00 54.97 54.02 1q94 s GLU 44 Cb 0.00 -1.77 -0.15 0.00 0.10 0.00 0.00 34.13 32.31 1q94 s GLU 44 CO 0.00 0.11 1.54 0.54 0.02 0.00 0.00 175.26 177.46 1q94 n ARG 45 N 3.64 1.60 -2.93 1.61 1.74 -1.26 -0.65 116.66 120.41 1q94 n ARG 45 Ca -0.21 0.58 -0.34 0.00 -0.77 0.00 0.00 57.85 57.11 1q94 n ARG 45 Cb 0.52 -2.29 -0.07 0.00 -1.02 0.00 0.00 32.46 29.60 1q94 n ARG 45 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1q94 s ILE 46 N 1.46 4.45 -0.05 0.55 1.01 -0.57 -4.90 121.20 123.15 1q94 s ILE 46 Ca 0.85 1.40 -0.30 0.00 0.00 0.00 0.00 60.65 62.60 1q94 s ILE 46 Cb -0.85 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 37.87 1q94 s ILE 46 CO 0.47 -0.11 1.12 -1.83 0.00 0.00 0.00 174.94 174.59 1q94 s GLU 47 N -2.72 4.40 -0.07 2.79 -1.05 -1.26 -4.55 118.70 116.24 1q94 s GLU 47 Ca 0.55 1.57 -0.04 0.00 -0.15 0.00 0.00 54.97 56.90 1q94 s GLU 47 Cb -0.12 -3.52 0.01 0.00 -0.44 0.00 0.00 34.13 30.06 1q94 s GLU 47 CO 0.17 -0.35 0.08 1.17 0.95 0.00 0.00 175.26 177.28 1q94 n LYS 48 N 4.90 -1.51 -3.78 -4.83 4.81 -1.26 -4.97 118.16 111.52 1q94 n LYS 48 Ca 0.10 1.47 -0.28 0.00 -0.87 0.00 0.00 58.31 58.73 1q94 n LYS 48 Cb 0.47 -2.38 -0.16 0.00 0.02 0.00 0.00 35.03 32.98 1q94 n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1q94 s VAL 49 N -0.26 0.70 0.45 3.15 1.01 -1.26 -4.70 120.40 119.49 1q94 s VAL 49 Ca -0.09 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 1q94 s VAL 49 Cb 0.01 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1q94 s VAL 49 CO 0.27 -0.14 0.68 -1.61 0.00 0.00 0.00 175.10 174.30 1q94 s GLU 50 N 1.78 3.15 0.03 2.72 2.02 -0.83 -4.86 118.70 122.72 1q94 s GLU 50 Ca -0.01 -0.37 -0.10 0.00 0.02 0.00 0.00 54.97 54.51 1q94 s GLU 50 Cb -0.17 -2.53 0.01 0.00 0.10 0.00 0.00 34.13 31.53 1q94 s GLU 50 CO -0.07 -0.24 0.21 -3.38 0.02 0.00 0.00 175.26 171.80 1q94 s HIS 51 N -2.57 0.02 1.08 1.61 -3.43 -1.26 -0.73 115.29 110.00 1q94 s HIS 51 Ca 0.47 -0.19 -0.18 0.00 -0.80 0.00 0.00 55.06 54.36 1q94 s HIS 51 Cb -0.10 -0.01 0.26 0.00 -1.43 0.00 0.00 32.58 31.30 1q94 s HIS 51 CO 0.39 -0.42 1.19 -1.13 -2.00 0.00 0.00 174.74 172.76 1q94 n SER 52 N 0.79 -0.99 -4.76 7.38 3.41 -0.32 -4.98 113.62 114.14 1q94 n SER 52 Ca -0.19 -1.31 -0.39 0.00 -0.26 0.00 0.00 58.87 56.71 1q94 n SER 52 Cb 0.58 -0.99 -0.05 0.00 -0.26 0.00 0.00 64.21 63.49 1q94 n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1q94 s ASP 53 N -5.07 7.18 -0.23 4.04 1.11 -1.26 -4.80 116.67 117.63 1q94 s ASP 53 Ca 0.72 1.40 -0.39 0.00 0.18 0.00 0.00 52.55 54.46 1q94 s ASP 53 Cb -0.04 -2.44 -0.15 0.00 1.07 0.00 0.00 42.92 41.36 1q94 s ASP 53 CO 0.52 0.11 1.77 -0.11 1.18 0.00 0.00 175.17 178.64 1q94 n LEU 54 N 2.38 2.60 -4.28 1.23 7.94 -1.26 -4.95 117.00 120.66 1q94 n LEU 54 Ca -0.05 1.05 -0.19 0.00 -1.11 0.00 0.00 56.01 55.71 1q94 n LEU 54 Cb 0.50 -1.19 -0.08 0.00 0.53 0.00 0.00 43.42 43.18 1q94 n LEU 54 CO 0.45 -0.36 -0.13 -0.55 -1.11 0.00 0.00 177.39 175.70 1q94 s SER 55 N 3.59 1.55 0.14 1.96 0.15 -1.25 -5.06 113.70 114.79 1q94 s SER 55 Ca 0.97 -1.72 -0.20 0.00 0.70 0.00 0.00 55.95 55.70 1q94 s SER 55 Cb -0.99 0.54 0.05 0.00 -1.71 0.00 0.00 66.02 63.91 1q94 s SER 55 CO 0.62 -1.04 0.51 0.72 1.20 0.00 0.00 173.24 175.26 1q94 s PHE 56 N -3.51 -0.39 0.46 3.44 -0.12 -1.26 -2.01 117.98 114.59 1q94 s PHE 56 Ca 0.40 0.15 0.07 0.00 -0.05 0.00 0.00 56.93 57.50 1q94 s PHE 56 Cb 0.03 0.41 0.07 0.00 -0.63 0.00 0.00 43.02 42.90 1q94 s PHE 56 CO 0.26 -0.77 0.59 -1.13 -0.05 0.00 0.00 175.22 174.12 1q94 n SER 57 N -0.25 1.83 -0.34 1.98 3.41 -0.85 -4.93 113.62 114.47 1q94 n SER 57 Ca -0.17 -2.29 0.17 0.00 -0.26 0.00 0.00 58.87 56.33 1q94 n SER 57 Cb 0.64 -0.29 0.34 0.00 -0.26 0.00 0.00 64.21 64.64 1q94 n SER 57 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1q94 n LYS 58 N -1.94 -0.08 -0.01 4.33 4.81 -1.26 0.66 118.16 124.68 1q94 n LYS 58 Ca 0.11 1.48 0.11 0.00 -0.87 0.00 0.00 58.31 59.14 1q94 n LYS 58 Cb 0.49 -2.39 0.64 0.00 0.02 0.00 0.00 35.03 33.78 1q94 n LYS 58 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1q94 n ASP 59 N -5.47 0.16 -0.00 3.14 3.85 -1.26 -4.90 116.55 112.06 1q94 n ASP 59 Ca 0.26 -1.34 -0.00 0.00 -0.71 0.00 0.00 54.79 53.00 1q94 n ASP 59 Cb 0.85 -0.01 -0.00 0.00 -1.35 0.00 0.00 41.12 40.61 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 -0.74 0.00 -3.12 2.11 7.02 0.21 -5.04 117.44 117.89 1q94 n TRP 60 Ca 0.17 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.27 1q94 n TRP 60 Cb 0.10 -0.10 -0.06 0.00 -2.42 0.00 0.00 31.31 28.83 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 -2.08 7.18 0.43 -0.99 1.04 -1.26 -4.79 113.70 113.24 1q94 s SER 61 Ca 0.00 1.45 -0.21 0.00 0.48 0.00 0.00 55.95 57.66 1q94 s SER 61 Cb 0.00 -2.43 -0.11 0.00 0.10 0.00 0.00 66.02 63.59 1q94 s SER 61 CO 0.00 0.18 0.96 -0.36 0.98 0.00 0.00 173.24 175.00 1q94 s PHE 62 N -1.25 3.29 0.04 5.02 0.08 -0.20 -2.01 117.98 122.96 1q94 s PHE 62 Ca 0.36 1.62 0.02 0.00 0.12 0.00 0.00 56.93 59.05 1q94 s PHE 62 Cb -0.20 -2.89 -0.02 0.00 -0.57 0.00 0.00 43.02 39.34 1q94 s PHE 62 CO 0.22 -0.20 -0.08 1.52 -0.10 0.00 0.00 175.22 176.59 1q94 s TYR 63 N -2.11 0.71 -0.06 0.36 -0.85 -0.85 -2.13 117.35 112.42 1q94 s TYR 63 Ca 0.62 -0.45 -0.21 0.00 -0.52 0.00 0.00 57.07 56.51 1q94 s TYR 63 Cb -0.11 -0.42 0.04 0.00 0.38 0.00 0.00 41.96 41.85 1q94 s TYR 63 CO 0.15 -0.06 0.48 -1.17 -1.52 0.00 0.00 175.55 173.42 1q94 s LEU 64 N -1.44 0.18 -0.19 -3.49 2.96 0.82 -3.74 118.68 113.77 1q94 s LEU 64 Ca -0.08 0.49 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 1q94 s LEU 64 Cb -0.09 1.80 0.04 0.00 0.50 0.00 0.00 46.19 48.43 1q94 s LEU 64 CO 0.01 -0.45 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.24 1q94 s LEU 65 N -0.96 2.27 -0.02 -0.68 2.96 -1.26 -0.78 118.68 120.21 1q94 s LEU 65 Ca -0.10 -0.83 -0.01 0.00 -0.22 0.00 0.00 54.13 52.97 1q94 s LEU 65 Cb -0.03 -1.29 -0.04 0.00 0.50 0.00 0.00 46.19 45.33 1q94 s LEU 65 CO 0.05 -0.11 0.08 -0.31 -1.32 0.00 0.00 176.35 174.75 1q94 s TYR 66 N 1.37 3.31 0.07 5.38 1.51 -0.98 -1.17 117.35 126.85 1q94 s TYR 66 Ca 0.00 0.24 -0.26 0.00 -1.01 0.00 0.00 57.07 56.04 1q94 s TYR 66 Cb -0.15 -1.76 0.08 0.00 -0.11 0.00 0.00 41.96 40.01 1q94 s TYR 66 CO -0.09 0.56 0.68 1.52 -1.11 0.00 0.00 175.55 177.12 1q94 s TYR 67 N -1.16 -0.52 0.13 2.71 1.13 0.09 -1.84 117.35 117.89 1q94 s TYR 67 Ca 0.22 0.49 -0.12 0.00 -1.41 0.00 0.00 57.07 56.25 1q94 s TYR 67 Cb -0.12 0.52 0.01 0.00 -1.10 0.00 0.00 41.96 41.27 1q94 s TYR 67 CO 0.12 -0.72 0.33 -0.08 -2.51 0.00 0.00 175.55 172.69 1q94 s THR 68 N -2.97 0.08 -0.09 -3.49 -1.32 -0.89 -1.96 115.64 105.00 1q94 s THR 68 Ca -0.01 -0.97 -0.22 0.00 -1.21 0.00 0.00 61.69 59.28 1q94 s THR 68 Cb -0.01 -1.44 -0.04 0.00 -1.51 0.00 0.00 72.50 69.51 1q94 s THR 68 CO -0.07 -0.38 0.63 -0.70 -2.21 0.00 0.00 174.62 171.90 1q94 s GLU 69 N -3.87 4.40 0.28 7.08 2.12 -1.26 -0.08 118.70 127.37 1q94 s GLU 69 Ca 0.08 0.74 -0.04 0.00 0.36 0.00 0.00 54.97 56.11 1q94 s GLU 69 Cb 0.03 -3.45 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 1q94 s GLU 69 CO -0.07 0.07 0.39 -0.59 -0.54 0.00 0.00 175.26 174.52 1q94 s PHE 70 N 0.81 0.95 -0.36 5.30 -0.71 -0.40 -4.91 117.98 118.65 1q94 s PHE 70 Ca 0.34 -1.18 0.00 0.00 -1.04 0.00 0.00 56.93 55.04 1q94 s PHE 70 Cb -0.17 -0.16 0.13 0.00 -1.21 0.00 0.00 43.02 41.61 1q94 s PHE 70 CO 0.15 -0.97 0.19 0.99 -1.34 0.00 0.00 175.22 174.25 1q94 s THR 71 N -3.59 0.61 1.00 -4.49 2.01 -1.26 0.35 115.64 110.27 1q94 s THR 71 Ca 0.31 -1.81 -0.16 0.00 0.31 0.00 0.00 61.69 60.35 1q94 s THR 71 Cb 0.01 -1.45 -0.01 0.00 0.01 0.00 0.00 72.50 71.06 1q94 s THR 71 CO 0.16 -0.88 -0.09 -0.81 -0.69 0.00 0.00 174.62 172.30 1q94 n PRO 72 N 4.16 -0.44 -3.76 4.92 -0.04 -1.26 -4.66 135.00 133.92 1q94 n PRO 72 Ca 0.07 -0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.30 1q94 n PRO 72 Cb 0.38 -1.57 -0.08 0.00 -0.04 0.00 0.00 33.50 32.19 1q94 n PRO 72 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1q94 s THR 73 N -2.25 0.07 0.14 0.52 -4.23 -1.26 -1.89 115.64 106.75 1q94 s THR 73 Ca 0.51 -0.56 0.16 0.00 -1.18 0.00 0.00 61.69 60.62 1q94 s THR 73 Cb -0.16 -0.74 0.16 0.00 1.34 0.00 0.00 72.50 73.10 1q94 s THR 73 CO 0.71 -0.31 1.42 -0.08 -0.54 0.00 0.00 174.62 175.82 1q94 h GLU 74 N 3.61 0.00 0.00 3.99 4.81 -1.96 -3.33 114.58 121.70 1q94 h GLU 74 Ca -0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1q94 h GLU 74 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1q94 h GLU 74 CO 0.42 0.00 -0.17 1.63 -0.73 0.00 0.00 179.01 180.17 1q94 n LYS 75 N -2.22 0.09 -0.65 1.92 4.01 -1.26 -5.07 118.16 114.98 1q94 n LYS 75 Ca -0.01 0.04 -0.22 0.00 -0.51 0.00 0.00 58.31 57.61 1q94 n LYS 75 Cb 0.33 -0.52 -0.01 0.00 -0.51 0.00 0.00 35.03 34.33 1q94 n LYS 75 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1q94 n ASP 76 N -3.28 -0.86 -4.77 4.39 9.92 -1.25 -4.93 116.55 115.76 1q94 n ASP 76 Ca -0.02 0.49 -0.34 0.00 -0.53 0.00 0.00 54.79 54.38 1q94 n ASP 76 Cb 0.09 -0.44 -0.08 0.00 -0.64 0.00 0.00 41.12 40.05 1q94 n ASP 76 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1q94 s GLU 77 N -0.48 3.09 -0.00 -1.24 2.02 -1.26 -4.80 118.70 116.03 1q94 s GLU 77 Ca 0.30 -0.42 0.03 0.00 0.02 0.00 0.00 54.97 54.90 1q94 s GLU 77 Cb -0.39 -2.88 -0.01 0.00 0.10 0.00 0.00 34.13 30.94 1q94 s GLU 77 CO 0.28 0.68 -0.11 0.71 0.02 0.00 0.00 175.26 176.84 1q94 s TYR 78 N -1.09 0.97 0.23 1.61 1.51 -1.26 -0.46 117.35 118.85 1q94 s TYR 78 Ca 0.19 -0.21 -0.18 0.00 -1.01 0.00 0.00 57.07 55.86 1q94 s TYR 78 Cb -0.12 -0.62 0.02 0.00 -0.11 0.00 0.00 41.96 41.14 1q94 s TYR 78 CO 0.09 -0.01 0.57 0.00 -1.11 0.00 0.00 175.55 175.09 1q94 s ALA 79 N -0.36 -0.92 -0.11 3.71 0.00 -0.85 0.01 121.76 123.23 1q94 s ALA 79 Ca 0.03 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 51.70 1q94 s ALA 79 Cb -0.05 0.89 -0.00 0.00 0.00 0.00 0.00 23.12 23.97 1q94 s ALA 79 CO -0.00 -0.87 -0.22 0.00 0.00 0.00 0.00 175.76 174.67 1q94 s ARG 81 N 0.46 3.43 -0.01 0.00 3.52 0.34 -1.72 118.95 124.98 1q94 s ARG 81 Ca -0.15 -0.60 0.06 0.00 -0.13 0.00 0.00 55.73 54.91 1q94 s ARG 81 Cb -0.17 -3.13 -0.03 0.00 -1.56 0.00 0.00 34.95 30.06 1q94 s ARG 81 CO 0.06 -0.22 -0.20 0.08 -0.81 0.00 0.00 175.30 174.21 1q94 s VAL 82 N 1.52 2.60 -0.02 7.11 1.01 -0.45 -1.15 120.40 131.02 1q94 s VAL 82 Ca 0.06 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.06 1q94 s VAL 82 Cb -0.15 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 1q94 s VAL 82 CO -0.01 0.50 -0.14 0.21 0.00 0.00 0.00 175.10 175.66 1q94 s ASN 83 N -0.92 1.76 -0.00 3.32 3.84 0.13 -1.42 114.94 121.65 1q94 s ASN 83 Ca 0.12 -0.28 -0.19 0.00 0.21 0.00 0.00 52.86 52.72 1q94 s ASN 83 Cb -0.10 -0.32 0.04 0.00 -0.55 0.00 0.00 41.25 40.31 1q94 s ASN 83 CO 0.01 0.15 0.42 -2.28 -2.79 0.00 0.00 177.10 172.62 1q94 s HIS 84 N -0.15 -0.31 -0.85 0.43 2.46 -1.26 -1.03 115.29 114.57 1q94 s HIS 84 Ca 0.02 0.44 0.06 0.00 0.47 0.00 0.00 55.06 56.05 1q94 s HIS 84 Cb -0.08 0.21 0.29 0.00 -0.13 0.00 0.00 32.58 32.87 1q94 s HIS 84 CO 0.00 -0.50 1.18 1.55 -2.47 0.00 0.00 174.74 174.51 1q94 n VAL 85 N 0.94 1.69 0.16 0.89 3.14 -1.26 0.19 118.33 124.08 1q94 n VAL 85 Ca -0.20 0.50 0.12 0.00 -2.96 0.00 0.00 64.34 61.80 1q94 n VAL 85 Cb 0.57 -1.47 0.06 0.00 -1.06 0.00 0.00 33.84 31.94 1q94 n VAL 85 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1q94 h THR 86 N 0.00 0.00 -3.29 1.55 1.03 -1.92 -3.46 112.91 106.82 1q94 h THR 86 Ca 0.00 -0.97 -0.62 0.00 -0.01 0.00 0.00 66.41 64.81 1q94 h THR 86 Cb 0.04 1.63 -0.18 0.00 -1.07 0.00 0.00 68.15 68.57 1q94 h THR 86 CO 0.00 0.00 -0.59 -0.76 -0.01 0.00 0.00 175.52 174.16 1q94 s LEU 87 N -5.56 3.64 0.58 0.00 1.43 0.13 -4.98 118.68 113.93 1q94 s LEU 87 Ca 0.02 0.02 0.29 0.00 -1.03 0.00 0.00 54.13 53.42 1q94 s LEU 87 Cb 0.08 -1.91 1.78 0.00 0.03 0.00 0.00 46.19 46.17 1q94 s LEU 87 CO 0.75 0.17 2.25 0.28 0.23 0.00 0.00 176.35 180.03 1q94 h SER 88 N 6.70 0.00 -4.93 2.29 0.02 -1.89 -3.42 113.55 112.32 1q94 h SER 88 Ca -0.35 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 60.70 1q94 h SER 88 Cb 1.17 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.60 1q94 h SER 88 CO 0.68 0.00 0.41 0.00 -1.14 0.00 0.00 176.83 176.78 1q94 s GLN 89 N -4.67 1.10 -0.24 3.45 -2.07 -1.26 -5.11 119.66 110.86 1q94 s GLN 89 Ca -0.05 -0.49 -0.38 0.00 -1.82 0.00 0.00 55.36 52.62 1q94 s GLN 89 Cb 0.15 0.45 -0.14 0.00 -1.09 0.00 0.00 33.01 32.38 1q94 s GLN 89 CO 0.56 -0.49 1.85 -2.30 -1.32 0.00 0.00 175.29 173.58 1q94 n PRO 90 N -0.35 1.44 -3.23 9.60 -0.02 -1.26 -4.91 135.00 136.27 1q94 n PRO 90 Ca -0.09 0.51 -0.39 0.00 -2.02 0.00 0.00 63.50 61.51 1q94 n PRO 90 Cb 0.62 -2.30 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 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 4.07 4.27 -0.13 -0.52 2.20 -0.51 -4.87 119.74 124.25 1q94 s LYS 91 Ca 0.98 0.51 -0.02 0.00 -0.36 0.00 0.00 55.97 57.08 1q94 s LYS 91 Cb -0.94 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 31.85 1q94 s LYS 91 CO 0.60 -0.04 -0.07 0.42 -0.36 0.00 0.00 175.35 175.89 1q94 s ILE 92 N 1.26 3.58 -0.12 5.43 1.01 -1.26 -1.34 121.20 129.76 1q94 s ILE 92 Ca 0.27 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.45 1q94 s ILE 92 Cb -0.16 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.80 1q94 s ILE 92 CO 0.11 0.52 -0.16 -0.69 0.00 0.00 0.00 174.94 174.71 1q94 s VAL 93 N 0.18 1.62 0.35 2.92 1.01 -0.70 -4.98 120.40 120.80 1q94 s VAL 93 Ca -0.04 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 1q94 s VAL 93 Cb -0.14 -1.47 -0.09 0.00 0.00 0.00 0.00 36.38 34.67 1q94 s VAL 93 CO 0.04 0.46 0.77 -0.54 0.00 0.00 0.00 175.10 175.83 1q94 s LYS 94 N 1.04 4.01 -0.26 2.72 1.02 -1.26 -0.83 119.74 126.19 1q94 s LYS 94 Ca -0.05 0.72 -0.24 0.00 0.02 0.00 0.00 55.97 56.42 1q94 s LYS 94 Cb -0.15 -2.39 -0.00 0.00 -0.52 0.00 0.00 37.83 34.77 1q94 s LYS 94 CO -0.03 0.10 0.81 -0.46 -0.92 0.00 0.00 175.35 174.85 1q94 s TRP 95 N -2.06 3.28 -0.36 3.18 -0.00 0.10 -4.85 118.94 118.23 1q94 s TRP 95 Ca 0.55 1.04 -0.13 0.00 -0.00 0.00 0.00 56.10 57.56 1q94 s TRP 95 Cb -0.10 -3.09 -0.01 0.00 -0.00 0.00 0.00 33.47 30.27 1q94 s TRP 95 CO 0.18 -0.44 0.25 0.34 -0.00 0.00 0.00 176.95 177.29 1q94 s ASP 96 N 1.42 6.07 0.00 5.86 -1.08 -1.26 -4.75 116.67 122.93 1q94 s ASP 96 Ca 0.34 -0.54 0.00 0.00 -0.52 0.00 0.00 52.55 51.83 1q94 s ASP 96 Cb -0.15 -2.14 0.00 0.00 -1.46 0.00 0.00 42.92 39.17 1q94 s ASP 96 CO 0.09 -0.29 0.34 0.54 0.52 0.00 0.00 175.17 176.37 1q94 n ARG 97 N 5.12 0.00 -0.15 4.34 1.74 -1.26 -2.30 116.66 124.15 1q94 n ARG 97 Ca -0.12 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1q94 n ARG 97 Cb 0.49 -0.84 0.00 0.00 -1.02 0.00 0.00 32.46 31.09 1q94 n ARG 97 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1q94 n ASP 98 N -0.48 1.86 0.00 0.55 5.75 -1.26 -4.90 116.55 118.07 1q94 n ASP 98 Ca 0.00 -1.35 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 1q94 n ASP 98 Cb 0.00 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 1q94 n ASP 98 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89