#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q95 s THR 2 N 0.00 0.00 0.17 3.17 -4.23 -1.26 -5.07 115.64 108.42 1q95 s THR 2 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1q95 s THR 2 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1q95 s THR 2 CO 0.00 0.00 0.00 1.41 -0.54 0.00 0.00 174.62 175.49 1q95 n HIS 3 N 2.47 -2.12 -1.80 3.99 8.25 -1.26 -4.96 115.22 119.79 1q95 n HIS 3 Ca -0.15 0.43 -0.39 0.00 -0.26 0.00 0.00 57.72 57.36 1q95 n HIS 3 Cb 0.55 1.18 -0.01 0.00 1.12 0.00 0.00 29.99 32.83 1q95 n HIS 3 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1q95 n ASP 4 N -2.96 8.13 -3.86 0.41 8.00 -1.26 -4.89 116.55 120.12 1q95 n ASP 4 Ca 0.00 -3.00 -0.16 0.00 0.71 0.00 0.00 54.79 52.34 1q95 n ASP 4 Cb 0.00 -1.40 -0.09 0.00 -0.02 0.00 0.00 41.12 39.61 1q95 n ASP 4 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1q95 s ASN 5 N 0.81 0.96 0.00 -2.24 0.01 -1.26 -5.05 114.94 108.17 1q95 s ASN 5 Ca 0.58 -1.55 0.20 0.00 -0.71 0.00 0.00 52.86 51.37 1q95 s ASN 5 Cb 0.19 0.44 0.11 0.00 0.41 0.00 0.00 41.25 42.40 1q95 s ASN 5 CO -0.09 -0.93 1.08 1.17 -1.51 0.00 0.00 177.10 176.82 1q95 n LYS 6 N -0.46 1.68 -2.00 -0.60 4.81 -1.26 -4.99 118.16 115.34 1q95 n LYS 6 Ca 0.04 -1.44 -0.35 0.00 -0.87 0.00 0.00 58.31 55.69 1q95 n LYS 6 Cb 0.64 -1.37 0.03 0.00 0.02 0.00 0.00 35.03 34.35 1q95 n LYS 6 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1q95 s LEU 7 N -1.83 3.61 -0.33 3.14 1.43 -1.26 -4.97 118.68 118.47 1q95 s LEU 7 Ca 0.21 2.21 0.08 0.00 -1.03 0.00 0.00 54.13 55.60 1q95 s LEU 7 Cb 0.16 -4.58 0.60 0.00 0.03 0.00 0.00 46.19 42.40 1q95 s LEU 7 CO 0.32 -1.51 1.66 0.00 0.23 0.00 0.00 176.35 177.05 1q95 n GLN 8 N -1.76 2.42 -5.10 1.70 6.02 -1.26 -4.96 117.38 114.45 1q95 n GLN 8 Ca 0.12 -3.08 -0.32 0.00 -0.01 0.00 0.00 57.00 53.71 1q95 n GLN 8 Cb 0.51 -2.00 -0.15 0.00 1.02 0.00 0.00 30.24 29.62 1q95 n GLN 8 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1q95 s VAL 9 N -3.17 2.51 -0.10 5.09 1.01 -1.26 -5.12 120.40 119.36 1q95 s VAL 9 Ca 0.50 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1q95 s VAL 9 Cb 0.43 -1.95 0.12 0.00 0.00 0.00 0.00 36.38 34.98 1q95 s VAL 9 CO 0.07 0.58 0.97 -0.70 0.00 0.00 0.00 175.10 176.01 1q95 s GLU 10 N -0.44 0.67 -0.11 2.72 2.12 -1.26 -4.93 118.70 117.47 1q95 s GLU 10 Ca 0.05 -0.07 -0.01 0.00 0.36 0.00 0.00 54.97 55.30 1q95 s GLU 10 Cb -0.12 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.58 1q95 s GLU 10 CO 0.01 -0.25 0.04 0.00 -0.54 0.00 0.00 175.26 174.52 1q95 n ALA 11 N 0.25 -3.13 -3.64 6.30 0.00 -1.26 -5.12 120.51 113.90 1q95 n ALA 11 Ca -0.09 0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.47 1q95 n ALA 11 Cb 0.60 -0.52 -0.08 0.00 0.00 0.00 0.00 19.45 19.44 1q95 n ALA 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1q95 s ILE 12 N -0.74 -0.01 -0.01 0.00 2.07 -1.26 -5.15 121.20 116.11 1q95 s ILE 12 Ca 0.02 0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.30 1q95 s ILE 12 Cb -0.00 -0.86 0.00 0.00 0.13 0.00 0.00 42.46 41.73 1q95 s ILE 12 CO 0.26 0.01 -0.04 -1.59 -1.91 0.00 0.00 174.94 171.67 1q95 s LYS 13 N 1.40 0.40 -0.35 3.50 -2.85 -1.26 -4.22 119.74 116.35 1q95 s LYS 13 Ca -0.09 -0.14 -0.07 0.00 -1.00 0.00 0.00 55.97 54.67 1q95 s LYS 13 Cb -0.06 -0.40 0.01 0.00 -2.06 0.00 0.00 37.83 35.32 1q95 s LYS 13 CO -0.15 0.07 0.25 -2.13 0.10 0.00 0.00 175.35 173.49 1q95 n ARG 14 N 3.12 -2.92 0.00 1.78 0.00 -1.21 -4.69 116.66 112.74 1q95 n ARG 14 Ca -0.15 2.43 0.00 0.00 -0.00 0.00 0.00 57.85 60.13 1q95 n ARG 14 Cb 0.57 -5.25 0.00 0.00 0.00 0.00 0.00 32.46 27.78 1q95 n ARG 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1q95 n GLY 15 N 0.32 0.98 3.09 5.14 0.00 -0.60 -0.71 105.19 113.42 1q95 n GLY 15 Ca 0.04 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 1q95 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q95 s THR 16 N -1.53 0.97 -0.18 2.61 2.01 -0.30 -0.29 115.64 118.93 1q95 s THR 16 Ca 0.00 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 1q95 s THR 16 Cb 0.00 -0.84 0.05 0.00 0.01 0.00 0.00 72.50 71.71 1q95 s THR 16 CO 0.00 0.14 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.35 1q95 s VAL 17 N -0.52 1.00 -0.35 3.82 1.01 -0.42 -0.25 120.40 124.68 1q95 s VAL 17 Ca 0.03 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 1q95 s VAL 17 Cb -0.06 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 1q95 s VAL 17 CO 0.00 0.03 0.38 -0.63 0.00 0.00 0.00 175.10 174.88 1q95 s ILE 18 N 1.67 5.15 0.42 2.22 1.01 0.17 -1.87 121.20 129.96 1q95 s ILE 18 Ca -0.00 0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.77 1q95 s ILE 18 Cb -0.16 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1q95 s ILE 18 CO -0.07 -0.12 0.27 -0.62 0.00 0.00 0.00 174.94 174.39 1q95 s ASP 19 N 1.74 4.70 -1.41 3.58 -1.08 0.15 -2.20 116.67 122.14 1q95 s ASP 19 Ca 0.12 -0.95 -0.05 0.00 -0.52 0.00 0.00 52.55 51.16 1q95 s ASP 19 Cb -0.16 -0.48 0.03 0.00 -1.46 0.00 0.00 42.92 40.84 1q95 s ASP 19 CO 0.12 -0.61 0.73 1.41 0.52 0.00 0.00 175.17 177.34 1q95 n HIS 20 N -1.39 -1.97 -3.03 -5.34 8.25 -1.26 -0.56 115.22 109.92 1q95 n HIS 20 Ca 0.01 0.84 -0.41 0.00 -0.26 0.00 0.00 57.72 57.90 1q95 n HIS 20 Cb 0.63 -4.09 -0.06 0.00 1.12 0.00 0.00 29.99 27.60 1q95 n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1q95 s ILE 21 N -3.60 4.91 0.33 1.59 1.01 -1.17 -3.08 121.20 121.20 1q95 s ILE 21 Ca 0.23 1.19 -0.28 0.00 0.00 0.00 0.00 60.65 61.79 1q95 s ILE 21 Cb -0.12 -4.02 -0.13 0.00 0.01 0.00 0.00 42.46 38.21 1q95 s ILE 21 CO 0.84 -0.07 1.18 -0.81 0.00 0.00 0.00 174.94 176.07 1q95 n PRO 22 N 5.89 1.81 -1.48 2.79 -0.04 -1.26 -0.31 135.00 142.40 1q95 n PRO 22 Ca 0.01 0.63 -0.41 0.00 -0.04 0.00 0.00 63.50 63.70 1q95 n PRO 22 Cb 0.48 -2.14 0.01 0.00 -0.04 0.00 0.00 33.50 31.81 1q95 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q95 n ALA 23 N 0.23 -1.15 -1.14 0.55 0.00 -1.26 -1.47 120.51 116.27 1q95 n ALA 23 Ca 0.07 0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.62 1q95 n ALA 23 Cb 0.35 -1.84 -0.02 0.00 0.00 0.00 0.00 19.45 17.94 1q95 n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1q95 n GLN 24 N 0.43 -0.98 -0.01 0.00 1.13 -1.26 -4.80 117.38 111.88 1q95 n GLN 24 Ca 0.11 0.53 -0.01 0.00 -1.94 0.00 0.00 57.00 55.69 1q95 n GLN 24 Cb 0.40 -4.43 -0.02 0.00 0.11 0.00 0.00 30.24 26.31 1q95 n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1q95 n ILE 25 N -2.54 0.17 -0.32 5.09 2.08 -0.54 -4.60 119.36 118.71 1q95 n ILE 25 Ca -0.05 -0.10 0.09 0.00 0.56 0.00 0.00 62.75 63.26 1q95 n ILE 25 Cb 0.32 -0.86 0.26 0.00 -0.75 0.00 0.00 39.64 38.61 1q95 n ILE 25 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1q95 h GLY 26 N 0.43 1.53 1.96 7.39 0.00 -1.85 -0.45 103.07 112.08 1q95 h GLY 26 Ca -0.07 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 1q95 h GLY 26 CO 0.00 -0.04 -0.57 -2.75 0.00 0.00 0.00 176.54 173.19 1q95 h PHE 27 N 0.69 0.06 -0.22 5.60 3.57 -1.94 -2.48 116.94 122.22 1q95 h PHE 27 Ca 0.50 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.88 1q95 h PHE 27 Cb 0.73 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 1q95 h PHE 27 CO -0.06 0.60 -0.27 -0.22 -2.23 0.00 0.00 178.31 176.13 1q95 h LYS 28 N 0.03 0.57 -0.83 1.11 3.64 -1.38 -2.01 116.57 117.71 1q95 h LYS 28 Ca -0.00 -0.32 -0.04 0.00 -1.27 0.00 0.00 60.65 59.02 1q95 h LYS 28 Cb 1.01 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 1q95 h LYS 28 CO 0.08 0.92 0.37 -0.07 -2.27 0.00 0.00 179.45 178.48 1q95 h LEU 29 N 0.26 1.11 -0.17 5.20 3.38 -1.24 0.88 115.31 124.73 1q95 h LEU 29 Ca 0.03 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1q95 h LEU 29 Cb 0.84 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1q95 h LEU 29 CO 0.06 0.95 0.10 0.25 0.09 0.00 0.00 178.44 179.90 1q95 h LEU 30 N 1.19 0.17 0.12 1.67 5.85 -1.34 -1.66 115.31 121.32 1q95 h LEU 30 Ca 0.28 -0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.79 1q95 h LEU 30 Cb 0.16 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.16 1q95 h LEU 30 CO -0.03 0.13 -1.02 0.77 -0.34 0.00 0.00 178.44 177.95 1q95 h SER 31 N 0.22 0.40 0.02 1.25 4.64 -1.14 -1.92 113.55 117.02 1q95 h SER 31 Ca 0.07 -0.90 -0.00 0.00 -0.47 0.00 0.00 61.79 60.48 1q95 h SER 31 Cb -0.01 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 61.95 1q95 h SER 31 CO -0.03 1.46 -0.01 0.25 -0.87 0.00 0.00 176.83 177.64 1q95 h LEU 32 N -0.39 0.00 -3.16 5.97 6.46 0.75 -2.68 115.31 122.26 1q95 h LEU 32 Ca -0.20 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.56 1q95 h LEU 32 Cb 1.65 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.58 1q95 h LEU 32 CO 0.10 0.01 0.00 0.49 -0.62 0.00 0.00 178.44 178.42 1q95 n PHE 33 N -4.13 0.65 -4.24 1.25 3.72 -0.63 -4.85 117.46 109.23 1q95 n PHE 33 Ca -0.03 -0.86 -0.37 0.00 -0.05 0.00 0.00 57.45 56.15 1q95 n PHE 33 Cb 0.09 -0.24 -0.03 0.00 -0.94 0.00 0.00 39.48 38.36 1q95 n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1q95 n LYS 34 N -0.63 -3.07 0.04 -1.08 4.76 -1.01 -4.83 118.16 112.34 1q95 n LYS 34 Ca 0.18 0.36 0.10 0.00 -2.87 0.00 0.00 58.31 56.08 1q95 n LYS 34 Cb 0.77 -5.09 0.40 0.00 -1.84 0.00 0.00 35.03 29.28 1q95 n LYS 34 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1q95 n LEU 35 N -4.37 0.23 -0.82 -0.35 4.77 -0.73 -2.86 117.00 112.88 1q95 n LEU 35 Ca 0.08 0.55 0.08 0.00 -0.03 0.00 0.00 56.01 56.69 1q95 n LEU 35 Cb 0.49 -0.51 0.17 0.00 -2.33 0.00 0.00 43.42 41.24 1q95 n LEU 35 CO 0.86 -0.30 0.63 0.35 -1.33 0.00 0.00 177.39 177.61 1q95 n THR 36 N -1.75 0.74 -2.69 -5.08 -2.24 -1.26 -4.68 114.28 97.33 1q95 n THR 36 Ca 0.04 -0.87 -0.43 0.00 -2.27 0.00 0.00 64.05 60.52 1q95 n THR 36 Cb 0.22 0.72 0.01 0.00 -2.10 0.00 0.00 70.33 69.18 1q95 n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1q95 n GLU 37 N 0.90 3.86 -3.92 -0.78 1.02 -1.13 -4.89 120.64 115.69 1q95 n GLU 37 Ca 0.14 -3.95 -0.09 0.00 -0.02 0.00 0.00 57.16 53.24 1q95 n GLU 37 Cb 0.47 -2.78 -0.05 0.00 -0.02 0.00 0.00 31.44 29.06 1q95 n GLU 37 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1q95 s THR 38 N -0.59 0.01 -2.71 2.62 -1.32 -1.26 -5.03 115.64 107.37 1q95 s THR 38 Ca 0.37 -1.23 0.22 0.00 -1.21 0.00 0.00 61.69 59.84 1q95 s THR 38 Cb 0.05 -2.01 0.16 0.00 -1.51 0.00 0.00 72.50 69.20 1q95 s THR 38 CO 0.03 -0.06 1.19 0.47 -2.21 0.00 0.00 174.62 174.04 1q95 n ASP 39 N -0.36 2.77 -4.83 8.08 10.43 -1.26 -4.97 116.55 126.41 1q95 n ASP 39 Ca -0.04 -1.89 -0.33 0.00 2.57 0.00 0.00 54.79 55.10 1q95 n ASP 39 Cb 0.62 0.05 -0.07 0.00 1.84 0.00 0.00 41.12 43.56 1q95 n ASP 39 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1q95 s GLN 40 N -1.91 4.16 0.15 -1.24 -1.52 -1.26 -5.01 119.66 113.03 1q95 s GLN 40 Ca 0.25 0.95 -0.31 0.00 -1.95 0.00 0.00 55.36 54.30 1q95 s GLN 40 Cb 0.18 -2.32 -0.10 0.00 -0.22 0.00 0.00 33.01 30.55 1q95 s GLN 40 CO 0.30 0.06 1.70 0.50 -0.25 0.00 0.00 175.29 177.61 1q95 s ARG 41 N -3.03 4.16 -0.02 2.91 3.52 -1.26 -4.89 118.95 120.35 1q95 s ARG 41 Ca 0.58 2.50 0.07 0.00 -0.13 0.00 0.00 55.73 58.74 1q95 s ARG 41 Cb -0.10 -3.32 -0.02 0.00 -1.56 0.00 0.00 34.95 29.95 1q95 s ARG 41 CO 0.15 -0.74 -0.21 0.42 -0.81 0.00 0.00 175.30 174.11 1q95 s ILE 42 N 1.83 1.67 -0.15 4.11 1.01 -1.26 -2.09 121.20 126.32 1q95 s ILE 42 Ca 0.75 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 60.48 1q95 s ILE 42 Cb -0.46 -1.39 0.04 0.00 0.01 0.00 0.00 42.46 40.67 1q95 s ILE 42 CO 0.33 0.47 -0.04 -0.89 0.00 0.00 0.00 174.94 174.81 1q95 s THR 43 N -0.50 0.92 0.01 2.92 2.01 -0.66 -5.02 115.64 115.33 1q95 s THR 43 Ca 0.08 -0.46 0.07 0.00 0.31 0.00 0.00 61.69 61.69 1q95 s THR 43 Cb -0.08 -1.11 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 1q95 s THR 43 CO -0.01 0.14 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.21 1q95 s ILE 44 N 1.72 1.78 -0.15 1.82 1.01 -1.26 -1.27 121.20 124.86 1q95 s ILE 44 Ca 0.02 -1.10 -0.01 0.00 0.00 0.00 0.00 60.65 59.56 1q95 s ILE 44 Cb -0.15 -1.51 0.04 0.00 0.01 0.00 0.00 42.46 40.85 1q95 s ILE 44 CO -0.07 0.38 -0.04 -0.83 0.00 0.00 0.00 174.94 174.37 1q95 s GLY 45 N -0.85 0.85 -0.10 6.18 0.00 0.21 -4.98 107.32 108.62 1q95 s GLY 45 Ca 0.09 -0.68 -0.03 0.00 0.00 0.00 0.00 44.72 44.09 1q95 s GLY 45 CO 0.00 0.99 0.04 1.08 0.00 0.00 0.00 173.10 175.21 1q95 s LEU 46 N 1.71 3.79 -1.14 0.66 1.43 -1.26 -0.15 118.68 123.72 1q95 s LEU 46 Ca 0.02 0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 53.28 1q95 s LEU 46 Cb -0.15 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.19 1q95 s LEU 46 CO -0.08 0.37 0.98 0.59 0.23 0.00 0.00 176.35 178.44 1q95 n ASN 47 N 2.21 -4.48 -4.81 2.29 3.02 -1.08 -4.98 115.26 107.43 1q95 n ASN 47 Ca -0.19 -0.50 -0.35 0.00 -0.03 0.00 0.00 54.58 53.52 1q95 n ASN 47 Cb 0.54 -4.49 -0.07 0.00 -0.61 0.00 0.00 39.78 35.15 1q95 n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1q95 s LEU 48 N -6.26 4.18 0.27 3.41 1.43 0.65 -4.76 118.68 117.60 1q95 s LEU 48 Ca 0.33 1.66 -0.31 0.00 -1.03 0.00 0.00 54.13 54.78 1q95 s LEU 48 Cb -0.15 -4.13 -0.12 0.00 0.03 0.00 0.00 46.19 41.82 1q95 s LEU 48 CO 0.64 -0.16 1.51 -2.65 0.23 0.00 0.00 176.35 175.91 1q95 n PRO 49 N 0.08 2.38 -4.55 1.29 -0.02 -1.26 -1.19 135.00 131.74 1q95 n PRO 49 Ca 0.03 0.85 -0.26 0.00 -2.02 0.00 0.00 63.50 62.10 1q95 n PRO 49 Cb 0.52 -2.57 -0.17 0.00 -0.02 0.00 0.00 33.50 31.26 1q95 n PRO 49 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1q95 s SER 50 N 0.41 1.98 0.05 2.55 0.15 0.18 -4.75 113.70 114.27 1q95 s SER 50 Ca 0.66 -0.33 -0.17 0.00 0.70 0.00 0.00 55.95 56.81 1q95 s SER 50 Cb -0.57 -0.90 -0.07 0.00 -1.71 0.00 0.00 66.02 62.77 1q95 s SER 50 CO 0.49 0.02 1.27 1.23 1.20 0.00 0.00 173.24 177.45 1q95 h GLY 51 N 7.12 -1.15 0.22 9.45 0.00 -1.94 -2.36 103.07 114.41 1q95 h GLY 51 Ca -0.30 0.55 -0.33 0.00 0.00 0.00 0.00 47.33 47.26 1q95 h GLY 51 CO 0.47 -0.36 -1.83 -2.21 0.00 0.00 0.00 176.54 172.61 1q95 n GLU 52 N -3.89 0.65 0.02 4.80 2.13 -1.26 -4.21 120.64 118.88 1q95 n GLU 52 Ca -0.04 0.38 0.06 0.00 0.66 0.00 0.00 57.16 58.21 1q95 n GLU 52 Cb 0.20 -1.68 0.26 0.00 0.27 0.00 0.00 31.44 30.49 1q95 n GLU 52 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1q95 n MET 53 N -3.95 0.03 0.00 5.31 2.81 -1.26 -4.86 117.12 115.20 1q95 n MET 53 Ca -0.37 0.37 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1q95 n MET 53 Cb 0.87 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.81 1q95 n MET 53 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1q95 n GLY 54 N -0.52 1.95 3.16 3.03 0.00 -0.89 -4.79 105.19 107.12 1q95 n GLY 54 Ca 0.02 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 1q95 n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q95 s ARG 55 N 0.00 0.80 0.10 1.61 1.81 -1.26 -0.65 118.95 121.36 1q95 s ARG 55 Ca 0.00 -1.18 -0.25 0.00 -1.72 0.00 0.00 55.73 52.58 1q95 s ARG 55 Cb 0.00 -0.37 0.07 0.00 -0.45 0.00 0.00 34.95 34.20 1q95 s ARG 55 CO 0.00 0.04 0.65 -1.59 -0.68 0.00 0.00 175.30 173.71 1q95 s LYS 56 N -3.05 1.19 0.16 3.54 -2.85 -0.33 -4.29 119.74 114.11 1q95 s LYS 56 Ca 0.06 -0.30 0.04 0.00 -1.00 0.00 0.00 55.97 54.77 1q95 s LYS 56 Cb -0.01 0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 36.28 1q95 s LYS 56 CO -0.02 -0.49 0.24 -0.51 0.10 0.00 0.00 175.35 174.67 1q95 s ASP 57 N -2.38 6.07 -0.09 0.03 1.01 0.58 -0.25 116.67 121.64 1q95 s ASP 57 Ca -0.01 0.06 -0.04 0.00 0.71 0.00 0.00 52.55 53.27 1q95 s ASP 57 Cb -0.01 -1.75 0.05 0.00 1.01 0.00 0.00 42.92 42.22 1q95 s ASP 57 CO -0.08 0.05 0.19 -0.22 0.21 0.00 0.00 175.17 175.32 1q95 s LEU 58 N -3.25 0.05 -0.08 1.23 2.96 0.79 -3.02 118.68 117.36 1q95 s LEU 58 Ca 0.33 0.41 0.04 0.00 -0.22 0.00 0.00 54.13 54.70 1q95 s LEU 58 Cb -0.11 0.44 -0.01 0.00 0.50 0.00 0.00 46.19 47.01 1q95 s LEU 58 CO 0.27 -0.22 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.22 1q95 s ILE 59 N 2.03 2.21 -0.06 6.68 1.01 -0.93 -0.62 121.20 131.52 1q95 s ILE 59 Ca -0.01 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.68 1q95 s ILE 59 Cb -0.12 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.53 1q95 s ILE 59 CO -0.07 0.56 -0.14 -0.54 0.00 0.00 0.00 174.94 174.76 1q95 s LYS 60 N 0.06 1.80 -0.21 2.79 1.02 -0.39 0.41 119.74 125.22 1q95 s LYS 60 Ca -0.10 -0.48 -0.02 0.00 0.02 0.00 0.00 55.97 55.39 1q95 s LYS 60 Cb -0.15 -1.48 0.06 0.00 -0.52 0.00 0.00 37.83 35.73 1q95 s LYS 60 CO 0.06 0.08 0.03 0.42 -0.92 0.00 0.00 175.35 175.01 1q95 s ILE 61 N 0.51 0.69 0.44 2.17 1.01 0.65 -1.65 121.20 125.01 1q95 s ILE 61 Ca -0.13 -0.71 -0.24 0.00 0.00 0.00 0.00 60.65 59.57 1q95 s ILE 61 Cb -0.15 -1.19 -0.08 0.00 0.01 0.00 0.00 42.46 41.06 1q95 s ILE 61 CO 0.04 -0.22 1.19 -1.61 0.00 0.00 0.00 174.94 174.34 1q95 s GLU 62 N 1.78 3.86 -1.56 2.79 2.02 -0.89 -1.15 118.70 125.55 1q95 s GLU 62 Ca -0.01 1.87 -0.02 0.00 0.02 0.00 0.00 54.97 56.83 1q95 s GLU 62 Cb -0.17 -2.54 0.01 0.00 0.10 0.00 0.00 34.13 31.52 1q95 s GLU 62 CO -0.09 -0.49 0.18 0.09 0.02 0.00 0.00 175.26 174.97 1q95 n ASN 63 N -0.23 -5.44 -3.88 -0.19 3.02 0.11 -4.59 115.26 104.06 1q95 n ASN 63 Ca 0.06 -0.07 -0.14 0.00 -0.03 0.00 0.00 54.58 54.40 1q95 n ASN 63 Cb 0.47 -4.51 -0.15 0.00 -0.61 0.00 0.00 39.78 34.98 1q95 n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1q95 s THR 64 N -2.99 0.17 -0.17 3.41 2.01 -1.23 -5.01 115.64 111.83 1q95 s THR 64 Ca 0.10 -0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.05 1q95 s THR 64 Cb -0.05 -0.18 0.04 0.00 0.01 0.00 0.00 72.50 72.33 1q95 s THR 64 CO 0.12 0.07 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.72 1q95 s PHE 65 N 0.21 1.71 0.16 4.92 0.08 -1.26 -2.95 117.98 120.86 1q95 s PHE 65 Ca -0.02 -1.11 -0.30 0.00 0.12 0.00 0.00 56.93 55.62 1q95 s PHE 65 Cb -0.04 -1.32 -0.07 0.00 -0.57 0.00 0.00 43.02 41.02 1q95 s PHE 65 CO -0.01 -0.62 0.99 -0.51 -0.10 0.00 0.00 175.22 174.97 1q95 s LEU 66 N 1.63 4.53 0.00 -0.37 1.43 -1.26 -5.04 118.68 119.60 1q95 s LEU 66 Ca 0.00 1.91 -0.11 0.00 -1.03 0.00 0.00 54.13 54.90 1q95 s LEU 66 Cb -0.16 -3.60 0.15 0.00 0.03 0.00 0.00 46.19 42.62 1q95 s LEU 66 CO -0.08 -0.05 0.71 -1.54 0.23 0.00 0.00 176.35 175.62 1q95 n SER 67 N 2.35 -0.78 0.10 2.29 3.41 -1.26 -4.73 113.62 115.01 1q95 n SER 67 Ca 0.01 -1.09 -0.03 0.00 -0.26 0.00 0.00 58.87 57.51 1q95 n SER 67 Cb 0.48 -0.59 0.18 0.00 -0.26 0.00 0.00 64.21 64.02 1q95 n SER 67 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1q95 h GLU 68 N 0.00 0.19 -0.01 4.33 5.08 -1.99 -1.26 114.58 120.93 1q95 h GLU 68 Ca -0.25 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 57.84 1q95 h GLU 68 Cb 0.71 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1q95 h GLU 68 CO 0.17 0.67 -0.73 0.22 -1.00 0.00 0.00 179.01 178.33 1q95 h ASP 69 N 0.15 0.08 -0.00 1.42 3.58 -1.99 -2.51 116.42 117.14 1q95 h ASP 69 Ca 0.00 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 1q95 h ASP 69 Cb 0.98 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.00 1q95 h ASP 69 CO 0.08 0.78 -0.03 1.56 -2.88 0.00 0.00 179.24 178.75 1q95 h GLN 70 N 0.04 0.03 -0.48 0.28 4.20 -1.86 -2.90 115.11 114.42 1q95 h GLN 70 Ca -0.01 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.75 1q95 h GLN 70 Cb 1.30 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.06 1q95 h GLN 70 CO 0.10 0.75 0.33 0.28 -0.67 0.00 0.00 178.83 179.62 1q95 h VAL 71 N -0.68 0.90 0.00 -0.54 2.07 -1.28 0.13 116.25 116.86 1q95 h VAL 71 Ca -0.00 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 1q95 h VAL 71 Cb 0.76 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1q95 h VAL 71 CO 0.01 0.05 -0.41 0.44 0.02 0.00 0.00 177.57 177.68 1q95 h ASP 72 N 0.29 0.00 0.09 0.57 3.45 -1.45 -2.83 116.42 116.53 1q95 h ASP 72 Ca 0.22 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.62 1q95 h ASP 72 Cb 0.49 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.24 1q95 h ASP 72 CO -0.05 0.41 -0.18 1.56 -1.57 0.00 0.00 179.24 179.41 1q95 h GLN 73 N 0.00 0.19 -0.44 3.56 4.20 -0.75 -1.35 115.11 120.52 1q95 h GLN 73 Ca -0.00 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.72 1q95 h GLN 73 Cb 0.97 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.71 1q95 h GLN 73 CO 0.05 0.37 0.30 -0.07 -0.67 0.00 0.00 178.83 178.81 1q95 h LEU 74 N 0.18 0.29 -1.57 1.46 3.38 -1.44 -1.80 115.31 115.81 1q95 h LEU 74 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1q95 h LEU 74 Cb 0.43 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1q95 h LEU 74 CO 0.03 0.19 0.24 0.00 0.09 0.00 0.00 178.44 178.99 1q95 h ALA 75 N 1.77 1.20 0.00 1.53 0.00 -1.36 0.49 119.26 122.89 1q95 h ALA 75 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1q95 h ALA 75 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1q95 h ALA 75 CO -0.04 -0.20 -0.54 -0.07 0.00 0.00 0.00 179.25 178.39 1q95 h LEU 76 N 0.00 0.00 0.00 0.00 3.38 -1.49 -3.35 115.31 113.84 1q95 h LEU 76 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1q95 h LEU 76 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1q95 h LEU 76 CO 0.00 0.54 -0.80 -1.22 0.09 0.00 0.00 178.44 177.05 1q95 n TYR 77 N -3.53 0.00 -3.19 1.13 4.02 0.65 -4.91 117.16 111.33 1q95 n TYR 77 Ca -0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.66 1q95 n TYR 77 Cb 0.63 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.89 1q95 n TYR 77 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1q95 n ALA 78 N -1.28 2.38 -0.26 -0.72 0.00 0.14 -4.91 120.51 115.85 1q95 n ALA 78 Ca 0.00 -3.42 0.14 0.00 0.00 0.00 0.00 53.44 50.16 1q95 n ALA 78 Cb 0.07 -0.83 0.41 0.00 0.00 0.00 0.00 19.45 19.09 1q95 n ALA 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1q95 h PRO 79 N 3.81 0.59 0.00 0.00 0.11 -1.73 -0.97 132.00 133.81 1q95 h PRO 79 Ca 0.08 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1q95 h PRO 79 Cb 0.89 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1q95 h PRO 79 CO 0.47 0.39 0.00 1.04 -0.21 0.00 0.00 178.00 179.70 1q95 n GLN 80 N -4.56 0.05 -1.33 1.05 3.00 -1.26 -4.62 117.38 109.70 1q95 n GLN 80 Ca 0.18 0.13 -0.36 0.00 -0.01 0.00 0.00 57.00 56.94 1q95 n GLN 80 Cb 0.54 -1.56 0.09 0.00 0.00 0.00 0.00 30.24 29.30 1q95 n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1q95 n ALA 81 N -1.56 -0.40 -3.19 -1.58 0.00 -0.37 -4.77 120.51 108.64 1q95 n ALA 81 Ca 0.05 -0.20 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 1q95 n ALA 81 Cb 0.29 -2.09 -0.16 0.00 0.00 0.00 0.00 19.45 17.50 1q95 n ALA 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1q95 s THR 82 N -1.84 0.92 -0.12 0.00 2.01 0.27 -4.29 115.64 112.60 1q95 s THR 82 Ca 0.72 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.32 1q95 s THR 82 Cb -0.34 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 1q95 s THR 82 CO 0.51 0.29 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.90 1q95 s VAL 83 N 0.37 2.97 -0.06 3.82 1.01 -0.44 0.32 120.40 128.38 1q95 s VAL 83 Ca -0.07 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1q95 s VAL 83 Cb -0.11 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.04 1q95 s VAL 83 CO 0.01 0.54 -0.20 0.20 0.00 0.00 0.00 175.10 175.65 1q95 s ASN 84 N 0.20 2.51 -0.03 3.32 0.02 -0.78 0.24 114.94 120.42 1q95 s ASN 84 Ca -0.09 -0.43 -0.11 0.00 -1.02 0.00 0.00 52.86 51.22 1q95 s ASN 84 Cb -0.15 -0.88 -0.05 0.00 0.02 0.00 0.00 41.25 40.19 1q95 s ASN 84 CO 0.05 0.15 0.30 -0.60 0.02 0.00 0.00 177.10 177.03 1q95 s ARG 85 N 0.17 3.71 0.22 -0.60 3.52 0.22 -1.30 118.95 124.89 1q95 s ARG 85 Ca -0.09 0.16 0.10 0.00 -0.13 0.00 0.00 55.73 55.76 1q95 s ARG 85 Cb -0.14 -3.17 -0.05 0.00 -1.56 0.00 0.00 34.95 30.03 1q95 s ARG 85 CO 0.04 0.70 -0.18 0.42 -0.81 0.00 0.00 175.30 175.48 1q95 s ILE 86 N -1.12 2.04 -0.29 4.11 -1.09 0.61 -2.55 121.20 122.91 1q95 s ILE 86 Ca 0.22 -2.22 -0.16 0.00 -2.23 0.00 0.00 60.65 56.27 1q95 s ILE 86 Cb -0.14 -2.10 0.16 0.00 -1.58 0.00 0.00 42.46 38.80 1q95 s ILE 86 CO 0.11 -0.45 1.05 -0.62 -1.23 0.00 0.00 174.94 173.80 1q95 s ASP 87 N -3.23 -0.40 -1.55 3.58 -1.08 0.02 -1.55 116.67 112.45 1q95 s ASP 87 Ca 0.24 0.62 -0.14 0.00 -0.52 0.00 0.00 52.55 52.75 1q95 s ASP 87 Cb -0.04 1.24 0.09 0.00 -1.46 0.00 0.00 42.92 42.76 1q95 s ASP 87 CO 0.10 -0.10 0.97 0.59 0.52 0.00 0.00 175.17 177.25 1q95 n ASN 88 N 3.84 -4.69 0.00 -0.34 3.02 -1.26 0.28 115.26 116.10 1q95 n ASN 88 Ca -0.16 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 1q95 n ASN 88 Cb 0.56 -3.77 0.00 0.00 -0.61 0.00 0.00 39.78 35.96 1q95 n ASN 88 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1q95 n TYR 89 N -4.66 0.00 -2.99 3.10 4.02 -1.26 -4.94 117.16 110.43 1q95 n TYR 89 Ca 0.05 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.53 1q95 n TYR 89 Cb 0.52 -0.78 -0.04 0.00 -0.02 0.00 0.00 39.34 39.01 1q95 n TYR 89 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1q95 s GLU 90 N -0.35 4.41 -1.28 -0.72 2.02 0.14 -4.38 118.70 118.54 1q95 s GLU 90 Ca 0.00 0.95 -0.09 0.00 0.02 0.00 0.00 54.97 55.84 1q95 s GLU 90 Cb 0.00 -3.48 0.16 0.00 0.10 0.00 0.00 34.13 30.91 1q95 s GLU 90 CO 0.00 -0.04 1.89 1.55 0.02 0.00 0.00 175.26 178.68 1q95 n VAL 91 N 4.02 4.34 0.02 2.63 3.14 -1.26 -0.80 118.33 130.43 1q95 n VAL 91 Ca 0.01 -4.37 -0.12 0.00 -2.96 0.00 0.00 64.34 56.89 1q95 n VAL 91 Cb 0.51 -2.36 -0.06 0.00 -1.06 0.00 0.00 33.84 30.87 1q95 n VAL 91 CO 0.00 0.00 0.00 -0.37 -6.46 0.00 0.00 176.83 170.00 1q95 h VAL 92 N 3.72 0.17 -2.67 1.55 -1.51 -1.82 -3.44 116.25 112.25 1q95 h VAL 92 Ca 0.40 0.00 -0.57 0.00 -1.23 0.00 0.00 66.70 65.31 1q95 h VAL 92 Cb 0.62 0.17 -0.06 0.00 -2.13 0.00 0.00 31.29 29.89 1q95 h VAL 92 CO 1.63 0.00 -0.55 -0.83 -1.23 0.00 0.00 177.57 176.60 1q95 s GLY 93 N -2.51 1.70 -0.10 5.19 0.00 -1.20 -4.96 107.32 105.43 1q95 s GLY 93 Ca -0.16 -1.19 -0.10 0.00 0.00 0.00 0.00 44.72 43.27 1q95 s GLY 93 CO 0.64 -1.20 0.29 -1.59 0.00 0.00 0.00 173.10 171.24 1q95 s LYS 94 N -3.14 0.36 0.39 2.90 -2.85 -1.26 -0.61 119.74 115.54 1q95 s LYS 94 Ca 0.32 0.36 -0.13 0.00 -1.00 0.00 0.00 55.97 55.52 1q95 s LYS 94 Cb -0.10 0.17 0.05 0.00 -2.06 0.00 0.00 37.83 35.89 1q95 s LYS 94 CO 0.24 -0.05 0.75 -1.54 0.10 0.00 0.00 175.35 174.85 1q95 s SER 95 N 0.05 0.21 0.04 0.03 1.04 0.14 -4.98 113.70 110.22 1q95 s SER 95 Ca -0.01 -1.27 0.02 0.00 0.48 0.00 0.00 55.95 55.17 1q95 s SER 95 Cb -0.02 0.84 -0.02 0.00 0.10 0.00 0.00 66.02 66.91 1q95 s SER 95 CO 0.01 -1.68 -0.08 -0.13 0.98 0.00 0.00 173.24 172.34 1q95 s ARG 96 N -2.22 0.53 0.46 4.02 0.52 -1.26 -1.33 118.95 119.67 1q95 s ARG 96 Ca 0.18 -0.72 -0.22 0.00 -0.52 0.00 0.00 55.73 54.45 1q95 s ARG 96 Cb -0.04 -0.31 -0.08 0.00 0.52 0.00 0.00 34.95 35.04 1q95 s ARG 96 CO 0.14 0.06 1.08 -2.14 0.02 0.00 0.00 175.30 174.45 1q95 s PRO 97 N -1.49 3.84 -0.05 3.54 0.02 -1.26 -4.87 135.00 134.74 1q95 s PRO 97 Ca -0.09 1.52 0.01 0.00 0.02 0.00 0.00 61.00 62.46 1q95 s PRO 97 Cb -0.09 -2.28 0.02 0.00 0.02 0.00 0.00 34.50 32.17 1q95 s PRO 97 CO 0.00 -0.43 -0.05 -1.54 -0.33 0.00 0.00 177.00 174.66 1q95 s SER 98 N -1.70 1.09 -0.18 2.53 1.04 -1.26 -4.90 113.70 110.32 1q95 s SER 98 Ca 0.64 -0.14 -0.39 0.00 0.48 0.00 0.00 55.95 56.54 1q95 s SER 98 Cb -0.21 -0.48 -0.16 0.00 0.10 0.00 0.00 66.02 65.26 1q95 s SER 98 CO 0.26 -0.06 1.62 -0.11 0.98 0.00 0.00 173.24 175.93 1q95 n LEU 99 N 4.17 2.12 -4.84 2.42 7.94 -1.26 -4.60 117.00 122.94 1q95 n LEU 99 Ca -0.23 1.09 -0.29 0.00 -1.11 0.00 0.00 56.01 55.47 1q95 n LEU 99 Cb 0.51 -1.14 0.11 0.00 0.53 0.00 0.00 43.42 43.42 1q95 n LEU 99 CO 0.22 -0.63 0.75 -2.16 -1.11 0.00 0.00 177.39 174.46 1q95 s PRO 100 N 2.66 1.71 -0.01 1.96 0.04 -1.26 -5.01 135.00 135.08 1q95 s PRO 100 Ca 0.95 0.26 0.00 0.00 0.04 0.00 0.00 61.00 62.25 1q95 s PRO 100 Cb -1.05 -1.91 -0.26 0.00 0.04 0.00 0.00 34.50 31.32 1q95 s PRO 100 CO 0.61 -1.80 0.79 0.93 0.04 0.00 0.00 177.00 177.57 1q95 h GLU 101 N -1.21 0.18 -4.46 4.56 5.08 -1.92 -3.40 114.58 113.41 1q95 h GLU 101 Ca -0.48 -0.31 -0.19 0.00 -1.00 0.00 0.00 59.36 57.38 1q95 h GLU 101 Cb 1.32 0.12 -0.15 0.00 0.50 0.00 0.00 28.75 30.53 1q95 h GLU 101 CO 0.64 0.99 -0.65 1.03 -1.00 0.00 0.00 179.01 180.02 1q95 s ARG 102 N -2.61 0.94 -0.23 2.33 0.52 -1.26 0.32 118.95 118.96 1q95 s ARG 102 Ca -0.09 -1.45 -0.03 0.00 -0.52 0.00 0.00 55.73 53.64 1q95 s ARG 102 Cb 0.07 0.19 0.11 0.00 0.52 0.00 0.00 34.95 35.85 1q95 s ARG 102 CO 0.83 -0.25 0.27 -1.50 0.02 0.00 0.00 175.30 174.67 1q95 s ILE 103 N -4.01 -0.39 0.14 1.52 2.07 -1.00 -4.89 121.20 114.63 1q95 s ILE 103 Ca 0.24 -0.18 0.04 0.00 -1.41 0.00 0.00 60.65 59.34 1q95 s ILE 103 Cb 0.07 -0.76 -0.04 0.00 0.13 0.00 0.00 42.46 41.86 1q95 s ILE 103 CO 0.02 -0.24 0.15 -1.81 -1.91 0.00 0.00 174.94 171.15 1q95 s ASP 104 N 2.38 5.68 -1.45 4.50 1.01 -1.26 -2.88 116.67 124.65 1q95 s ASP 104 Ca 0.09 -0.04 -0.02 0.00 0.71 0.00 0.00 52.55 53.29 1q95 s ASP 104 Cb -0.15 -1.55 0.00 0.00 1.01 0.00 0.00 42.92 42.23 1q95 s ASP 104 CO -0.17 0.10 0.25 -3.20 0.21 0.00 0.00 175.17 172.36 1q95 n ASN 105 N -0.15 -0.03 0.01 0.27 5.15 0.08 -4.79 115.26 115.80 1q95 n ASN 105 Ca -0.08 -1.14 0.00 0.00 -0.60 0.00 0.00 54.58 52.76 1q95 n ASN 105 Cb 0.54 -2.37 0.00 0.00 -0.53 0.00 0.00 39.78 37.41 1q95 n ASN 105 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1q95 n VAL 106 N -4.50 0.01 -3.17 3.44 0.31 -1.26 -4.97 118.33 108.19 1q95 n VAL 106 Ca -0.31 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 63.84 1q95 n VAL 106 Cb 0.69 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 1q95 n VAL 106 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1q95 s LEU 107 N -5.26 3.53 -0.08 7.52 1.43 -1.26 -2.97 118.68 121.58 1q95 s LEU 107 Ca 0.00 -0.55 0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1q95 s LEU 107 Cb 0.00 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.83 1q95 s LEU 107 CO 0.00 -0.78 -0.19 0.68 0.23 0.00 0.00 176.35 176.28 1q95 s VAL 108 N -2.41 1.67 0.00 -1.59 -7.23 -0.61 -4.63 120.40 105.60 1q95 s VAL 108 Ca 0.53 -0.80 -0.33 0.00 -1.81 0.00 0.00 61.98 59.57 1q95 s VAL 108 Cb -0.08 -1.47 -0.12 0.00 0.56 0.00 0.00 36.38 35.28 1q95 s VAL 108 CO 0.32 0.47 1.82 0.00 -0.31 0.00 0.00 175.10 177.41 1q95 h PRO 110 N 8.58 0.00 -6.31 0.00 0.11 -1.97 -3.43 132.00 128.97 1q95 h PRO 110 Ca -0.48 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.10 1q95 h PRO 110 Cb 1.26 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.39 1q95 h PRO 110 CO 0.93 0.11 1.26 1.21 -0.21 0.00 0.00 178.00 181.31 1q95 s ASN 111 N -6.64 6.33 0.47 -2.05 3.04 -1.26 -4.86 114.94 109.97 1q95 s ASN 111 Ca -0.04 2.58 0.27 0.00 0.04 0.00 0.00 52.86 55.70 1q95 s ASN 111 Cb 0.15 -2.53 0.96 0.00 -1.54 0.00 0.00 41.25 38.29 1q95 s ASN 111 CO 0.64 -1.16 1.83 0.77 -3.04 0.00 0.00 177.10 176.14 1q95 h SER 112 N 11.11 0.00 -0.55 -4.21 4.64 -2.03 -2.98 113.55 119.53 1q95 h SER 112 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1q95 h SER 112 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1q95 h SER 112 CO 0.94 0.14 0.00 -3.20 -0.87 0.00 0.00 176.83 173.84 1q95 n ASN 113 N -3.25 3.67 -4.71 4.97 5.15 -1.26 -4.96 115.26 114.87 1q95 n ASN 113 Ca 0.01 -1.99 -0.42 0.00 -0.60 0.00 0.00 54.58 51.58 1q95 n ASN 113 Cb 0.42 -0.36 -0.03 0.00 -0.53 0.00 0.00 39.78 39.27 1q95 n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1q95 h ILE 115 N 4.36 0.64 0.00 0.00 6.09 -1.92 -3.06 117.51 123.62 1q95 h ILE 115 Ca -0.42 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.03 1q95 h ILE 115 Cb 1.21 0.50 0.00 0.00 0.47 0.00 0.00 36.82 39.00 1q95 h ILE 115 CO 0.85 0.02 0.42 0.77 -3.07 0.00 0.00 178.15 177.14 1q95 h SER 116 N 0.13 0.00 0.00 2.19 4.64 -1.94 -3.37 113.55 115.20 1q95 h SER 116 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1q95 h SER 116 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1q95 h SER 116 CO -0.06 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.31 1q95 n HIS 117 N -2.71 0.00 -0.40 4.77 8.25 -1.16 -3.98 115.22 119.99 1q95 n HIS 117 Ca -0.02 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.40 1q95 n HIS 117 Cb 0.46 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.50 1q95 n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q95 n ALA 118 N -3.00 3.15 -3.15 -1.41 0.00 -1.26 -4.75 120.51 110.09 1q95 n ALA 118 Ca 0.00 -0.73 -0.12 0.00 0.00 0.00 0.00 53.44 52.59 1q95 n ALA 118 Cb 0.00 -2.27 -0.10 0.00 0.00 0.00 0.00 19.45 17.08 1q95 n ALA 118 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1q95 s GLU 119 N 2.19 0.50 0.00 0.00 2.56 -1.26 -5.06 118.70 117.63 1q95 s GLU 119 Ca 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 54.97 55.04 1q95 s GLU 119 Cb 0.13 0.22 -0.05 0.00 2.00 0.00 0.00 34.13 36.42 1q95 s GLU 119 CO 0.00 -0.12 1.09 -2.30 -0.56 0.00 0.00 175.26 173.37 1q95 n PRO 120 N 1.70 0.39 -4.05 4.30 -0.02 -1.26 -4.81 135.00 131.25 1q95 n PRO 120 Ca -0.20 -0.19 -0.09 0.00 -2.02 0.00 0.00 63.50 60.99 1q95 n PRO 120 Cb 0.56 -1.59 -0.11 0.00 -0.02 0.00 0.00 33.50 32.35 1q95 n PRO 120 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1q95 s VAL 121 N 2.55 0.29 -0.08 -1.45 -7.23 -1.26 -5.15 120.40 108.07 1q95 s VAL 121 Ca 0.13 -1.34 -0.10 0.00 -1.81 0.00 0.00 61.98 58.86 1q95 s VAL 121 Cb 0.06 -0.87 -0.05 0.00 0.56 0.00 0.00 36.38 36.08 1q95 s VAL 121 CO 0.00 -0.67 0.24 -0.94 -0.31 0.00 0.00 175.10 173.42 1q95 s SER 122 N -2.11 6.54 1.02 4.85 1.04 -1.26 -4.97 113.70 118.80 1q95 s SER 122 Ca -0.05 0.64 -0.14 0.00 0.48 0.00 0.00 55.95 56.89 1q95 s SER 122 Cb -0.03 -2.14 0.11 0.00 0.10 0.00 0.00 66.02 64.06 1q95 s SER 122 CO -0.04 0.36 0.51 -1.54 0.98 0.00 0.00 173.24 173.51 1q95 n SER 123 N 2.03 -1.70 -3.64 7.02 3.41 -1.26 -4.67 113.62 114.82 1q95 n SER 123 Ca -0.17 0.16 -0.08 0.00 -0.26 0.00 0.00 58.87 58.52 1q95 n SER 123 Cb 0.54 -1.20 -0.07 0.00 -0.26 0.00 0.00 64.21 63.22 1q95 n SER 123 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1q95 s SER 124 N -2.13 -0.47 0.02 4.04 0.15 -1.26 -0.74 113.70 113.31 1q95 s SER 124 Ca 0.60 0.87 0.00 0.00 0.70 0.00 0.00 55.95 58.12 1q95 s SER 124 Cb -0.20 0.94 -0.02 0.00 -1.71 0.00 0.00 66.02 65.04 1q95 s SER 124 CO 0.65 -0.15 -0.03 -0.36 1.20 0.00 0.00 173.24 174.55 1q95 s PHE 125 N 0.44 0.27 0.06 3.44 0.40 -1.14 -1.79 117.98 119.66 1q95 s PHE 125 Ca 0.01 -0.43 -0.22 0.00 -0.60 0.00 0.00 56.93 55.69 1q95 s PHE 125 Cb -0.05 -0.19 -0.06 0.00 0.51 0.00 0.00 43.02 43.23 1q95 s PHE 125 CO -0.08 -0.14 0.64 0.00 0.70 0.00 0.00 175.22 176.34 1q95 s ALA 126 N -1.19 3.50 -0.19 5.36 0.00 -0.41 -2.38 121.76 126.44 1q95 s ALA 126 Ca -0.12 0.13 -0.09 0.00 0.00 0.00 0.00 51.96 51.87 1q95 s ALA 126 Cb -0.08 -2.78 -0.05 0.00 0.00 0.00 0.00 23.12 20.21 1q95 s ALA 126 CO -0.01 0.25 0.11 0.08 0.00 0.00 0.00 175.76 176.19 1q95 s VAL 127 N -0.63 5.22 -0.15 0.00 1.01 0.15 -1.35 120.40 124.64 1q95 s VAL 127 Ca 0.32 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.40 1q95 s VAL 127 Cb -0.20 -3.37 0.05 0.00 0.00 0.00 0.00 36.38 32.86 1q95 s VAL 127 CO 0.20 0.45 0.02 -0.60 0.00 0.00 0.00 175.10 175.17 1q95 s ARG 128 N 0.31 0.69 -0.00 2.72 3.52 -0.00 -4.74 118.95 121.44 1q95 s ARG 128 Ca 0.07 -0.24 -0.30 0.00 -0.13 0.00 0.00 55.73 55.13 1q95 s ARG 128 Cb -0.11 -1.71 -0.07 0.00 -1.56 0.00 0.00 34.95 31.50 1q95 s ARG 128 CO -0.01 -0.51 1.67 0.21 -0.81 0.00 0.00 175.30 175.85 1q95 s LYS 129 N 1.89 4.19 0.44 5.12 2.47 -1.26 -0.31 119.74 132.28 1q95 s LYS 129 Ca 0.01 2.26 0.00 0.00 -1.56 0.00 0.00 55.97 56.69 1q95 s LYS 129 Cb -0.15 -3.85 -0.00 0.00 -1.46 0.00 0.00 37.83 32.37 1q95 s LYS 129 CO -0.07 -0.80 0.02 -2.13 0.16 0.00 0.00 175.35 172.52 1q95 n ARG 130 N 6.54 0.87 -3.10 4.03 0.63 -0.61 -4.90 116.66 120.12 1q95 n ARG 130 Ca 0.17 -3.27 -0.40 0.00 -0.92 0.00 0.00 57.85 53.43 1q95 n ARG 130 Cb 0.42 0.97 -0.05 0.00 0.45 0.00 0.00 32.46 34.25 1q95 n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1q95 s ALA 131 N -2.80 3.49 0.00 5.13 0.00 -1.26 -3.88 121.76 122.44 1q95 s ALA 131 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1q95 s ALA 131 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1q95 s ALA 131 CO 0.02 -0.41 0.00 0.09 0.00 0.00 0.00 175.76 175.45 1q95 n ASN 132 N 4.67 0.00 -2.27 0.00 3.02 -1.26 -4.91 115.26 114.50 1q95 n ASN 132 Ca -0.01 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.49 1q95 n ASN 132 Cb 0.50 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.69 1q95 n ASN 132 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1q95 n ASP 133 N 0.00 -1.32 -4.22 6.41 3.85 -1.25 -5.11 116.55 114.90 1q95 n ASP 133 Ca 0.00 -1.84 -0.31 0.00 -0.71 0.00 0.00 54.79 51.94 1q95 n ASP 133 Cb 0.00 2.18 -0.17 0.00 -1.35 0.00 0.00 41.12 41.78 1q95 n ASP 133 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1q95 s ILE 134 N -2.35 1.93 -0.06 2.12 1.01 -1.26 -1.58 121.20 121.01 1q95 s ILE 134 Ca 0.12 -0.98 -0.18 0.00 0.00 0.00 0.00 60.65 59.62 1q95 s ILE 134 Cb -0.03 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.74 1q95 s ILE 134 CO 0.06 0.54 0.48 0.00 0.00 0.00 0.00 174.94 176.02 1q95 s ALA 135 N 0.10 3.53 -0.18 9.38 0.00 0.58 -0.66 121.76 134.51 1q95 s ALA 135 Ca -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1q95 s ALA 135 Cb -0.15 -2.60 0.01 0.00 0.00 0.00 0.00 23.12 20.38 1q95 s ALA 135 CO 0.06 0.16 -0.17 -0.51 0.00 0.00 0.00 175.76 175.29 1q95 s LEU 136 N 0.03 2.32 -0.34 0.00 1.43 0.28 -0.82 118.68 121.58 1q95 s LEU 136 Ca 0.26 -0.56 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 1q95 s LEU 136 Cb -0.16 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.55 1q95 s LEU 136 CO 0.12 0.03 0.14 -0.75 0.23 0.00 0.00 176.35 176.12 1q95 s LYS 137 N 1.15 2.86 0.14 1.70 2.20 -0.46 0.17 119.74 127.51 1q95 s LYS 137 Ca 0.01 -1.03 -0.34 0.00 -0.36 0.00 0.00 55.97 54.25 1q95 s LYS 137 Cb -0.14 -3.54 -0.14 0.00 -1.51 0.00 0.00 37.83 32.50 1q95 s LYS 137 CO -0.07 -0.60 1.58 0.00 -0.36 0.00 0.00 175.35 175.90 1q95 n LYS 139 N 3.55 0.18 0.00 0.00 4.76 -0.74 -1.22 118.16 124.68 1q95 n LYS 139 Ca 0.17 0.44 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 1q95 n LYS 139 Cb 0.28 -1.86 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 1q95 n LYS 139 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1q95 n TYR 140 N -2.20 0.00 0.54 2.13 4.02 -1.26 -4.62 117.16 115.76 1q95 n TYR 140 Ca 0.02 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.03 1q95 n TYR 140 Cb 0.20 -0.05 0.45 0.00 -0.02 0.00 0.00 39.34 39.93 1q95 n TYR 140 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1q95 n GLU 142 N -2.12 -1.24 -3.03 0.00 1.02 -0.36 -4.99 120.64 109.92 1q95 n GLU 142 Ca 0.04 0.70 -0.34 0.00 -0.02 0.00 0.00 57.16 57.54 1q95 n GLU 142 Cb 0.31 -4.81 -0.06 0.00 -0.02 0.00 0.00 31.44 26.85 1q95 n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1q95 s LYS 143 N -2.38 4.17 -0.06 3.49 1.02 -1.26 -4.74 119.74 119.98 1q95 s LYS 143 Ca 0.00 0.88 -0.04 0.00 0.02 0.00 0.00 55.97 56.83 1q95 s LYS 143 Cb 0.00 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 1q95 s LYS 143 CO 0.00 0.19 0.13 -2.00 -0.92 0.00 0.00 175.35 172.76 1q95 s GLU 144 N -2.67 3.33 0.09 1.68 2.12 -1.26 -1.47 118.70 120.52 1q95 s GLU 144 Ca 0.52 -0.29 0.03 0.00 0.36 0.00 0.00 54.97 55.60 1q95 s GLU 144 Cb -0.12 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 1q95 s GLU 144 CO 0.18 0.71 -0.08 -0.06 -0.54 0.00 0.00 175.26 175.47 1q95 s PHE 145 N -1.15 0.91 0.03 5.30 0.08 0.44 -4.89 117.98 118.70 1q95 s PHE 145 Ca 0.21 -0.71 -0.30 0.00 0.12 0.00 0.00 56.93 56.25 1q95 s PHE 145 Cb -0.12 -0.52 -0.04 0.00 -0.57 0.00 0.00 43.02 41.77 1q95 s PHE 145 CO 0.11 -0.07 0.97 0.45 -0.10 0.00 0.00 175.22 176.58 1q95 s SER 146 N -2.46 7.39 0.07 1.36 0.15 -1.26 0.99 113.70 119.94 1q95 s SER 146 Ca 0.04 1.68 0.04 0.00 0.70 0.00 0.00 55.95 58.42 1q95 s SER 146 Cb -0.02 -2.57 0.24 0.00 -1.71 0.00 0.00 66.02 61.97 1q95 s SER 146 CO -0.02 -0.21 1.11 0.00 1.20 0.00 0.00 173.24 175.33 1q95 n HIS 147 N 3.61 0.15 1.57 3.44 1.44 0.16 -0.05 115.22 125.54 1q95 n HIS 147 Ca 0.05 0.08 0.14 0.00 -2.01 0.00 0.00 57.72 55.98 1q95 n HIS 147 Cb 0.51 -0.60 0.59 0.00 0.12 0.00 0.00 29.99 30.61 1q95 n HIS 147 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1q95 n ASN 148 N -1.63 1.26 0.00 4.39 5.03 -1.26 -4.10 115.26 118.94 1q95 n ASN 148 Ca -0.00 -1.43 0.00 0.00 0.87 0.00 0.00 54.58 54.02 1q95 n ASN 148 Cb 0.04 -0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.80 1q95 n ASN 148 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1q95 n VAL 149 N -0.01 0.00 -2.03 2.41 0.31 0.93 -5.02 118.33 114.92 1q95 n VAL 149 Ca 0.20 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.10 1q95 n VAL 149 Cb 0.31 -0.90 -0.03 0.00 -0.91 0.00 0.00 33.84 32.32 1q95 n VAL 149 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1q95 s VAL 150 N -1.98 3.36 0.85 2.52 1.01 -1.02 -4.98 120.40 120.15 1q95 s VAL 150 Ca 0.00 0.71 -0.08 0.00 0.00 0.00 0.00 61.98 62.61 1q95 s VAL 150 Cb 0.00 -3.46 0.17 0.00 0.00 0.00 0.00 36.38 33.10 1q95 s VAL 150 CO 0.00 -0.02 1.16 -0.76 0.00 0.00 0.00 175.10 175.48 1q95 s LEU 151 N 2.92 2.85 0.00 3.92 1.43 -1.26 -4.90 118.68 123.65 1q95 s LEU 151 Ca 0.71 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.70 1q95 s LEU 151 Cb -0.36 -2.00 0.04 0.00 0.03 0.00 0.00 46.19 43.90 1q95 s LEU 151 CO 0.30 -2.34 0.34 0.00 0.23 0.00 0.00 176.35 174.88 1q95 n ALA 152 N -3.30 0.49 -0.90 4.21 0.00 -1.26 -1.57 120.51 118.18 1q95 n ALA 152 Ca 0.16 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1q95 n ALA 152 Cb 0.60 0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.28 1q95 n ALA 152 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59