#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q95 n THR 2 N 0.00 -0.04 -2.30 1.12 -1.04 -1.26 -5.02 114.28 105.74 1q95 n THR 2 Ca 0.00 -1.12 -0.22 0.00 -2.04 0.00 0.00 64.05 60.67 1q95 n THR 2 Cb 0.00 0.97 0.02 0.00 -1.82 0.00 0.00 70.33 69.49 1q95 n THR 2 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1q95 n HIS 3 N 2.81 2.75 -0.39 -1.42 -0.00 -1.26 -4.71 115.22 112.99 1q95 n HIS 3 Ca 0.17 -2.57 0.01 0.00 -0.00 0.00 0.00 57.72 55.33 1q95 n HIS 3 Cb 0.56 -0.24 0.02 0.00 -0.00 0.00 0.00 29.99 30.33 1q95 n HIS 3 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1q95 n ASP 4 N -0.57 1.57 -0.08 0.41 8.00 -1.26 -4.63 116.55 119.99 1q95 n ASP 4 Ca 0.37 -1.92 -0.09 0.00 0.71 0.00 0.00 54.79 53.86 1q95 n ASP 4 Cb 0.83 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.77 1q95 n ASP 4 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1q95 n ASN 5 N -0.49 1.78 -3.87 -2.24 3.02 -1.26 -4.90 115.26 107.30 1q95 n ASN 5 Ca 0.02 -0.03 -0.27 0.00 -0.03 0.00 0.00 54.58 54.27 1q95 n ASN 5 Cb 0.36 0.55 -0.17 0.00 -0.61 0.00 0.00 39.78 39.91 1q95 n ASN 5 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1q95 s LYS 6 N -2.35 1.33 0.00 3.52 -0.14 -1.26 -5.15 119.74 115.69 1q95 s LYS 6 Ca -0.12 -0.38 0.00 0.00 -1.36 0.00 0.00 55.97 54.12 1q95 s LYS 6 Cb 0.05 -1.80 0.00 0.00 -1.68 0.00 0.00 37.83 34.40 1q95 s LYS 6 CO 0.54 -0.39 0.00 1.28 -0.76 0.00 0.00 175.35 176.02 1q95 n LEU 7 N 4.93 0.00 -0.62 3.17 4.77 -1.26 -4.49 117.00 123.50 1q95 n LEU 7 Ca -0.11 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.81 1q95 n LEU 7 Cb 0.49 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.57 1q95 n LEU 7 CO 0.16 -1.10 -0.07 0.00 -1.33 0.00 0.00 177.39 175.05 1q95 n GLN 8 N -0.96 -0.46 -1.35 3.23 6.02 -1.26 -4.96 117.38 117.64 1q95 n GLN 8 Ca 0.00 0.38 -0.42 0.00 -0.01 0.00 0.00 57.00 56.95 1q95 n GLN 8 Cb 0.00 -4.19 -0.00 0.00 1.02 0.00 0.00 30.24 27.07 1q95 n GLN 8 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1q95 n VAL 9 N -3.75 1.10 -3.09 5.09 0.31 -1.26 -4.96 118.33 111.77 1q95 n VAL 9 Ca -0.07 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.57 1q95 n VAL 9 Cb 0.47 -0.17 -0.03 0.00 -0.91 0.00 0.00 33.84 33.20 1q95 n VAL 9 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1q95 n GLU 10 N 1.07 0.80 -2.62 5.55 1.02 -1.26 -5.01 120.64 120.20 1q95 n GLU 10 Ca 0.12 -2.94 -0.35 0.00 -0.02 0.00 0.00 57.16 53.97 1q95 n GLU 10 Cb 0.39 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1q95 n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q95 n ALA 11 N 1.12 5.59 -3.74 0.62 0.00 -1.26 -4.95 120.51 117.88 1q95 n ALA 11 Ca 0.19 -4.54 -0.22 0.00 0.00 0.00 0.00 53.44 48.87 1q95 n ALA 11 Cb 0.59 -1.52 -0.17 0.00 0.00 0.00 0.00 19.45 18.35 1q95 n ALA 11 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1q95 s ILE 12 N -4.62 0.27 0.00 0.00 1.01 -1.26 -5.02 121.20 111.58 1q95 s ILE 12 Ca 0.45 0.17 0.00 0.00 0.00 0.00 0.00 60.65 61.27 1q95 s ILE 12 Cb 0.28 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 42.31 1q95 s ILE 12 CO -0.18 0.23 0.86 0.29 0.00 0.00 0.00 174.94 176.14 1q95 n LYS 13 N 5.02 0.64 -0.71 2.79 5.02 -1.26 -3.50 118.16 126.16 1q95 n LYS 13 Ca -0.09 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.29 1q95 n LYS 13 Cb 0.50 -1.18 0.37 0.00 -0.02 0.00 0.00 35.03 34.70 1q95 n LYS 13 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1q95 n ARG 14 N 1.02 4.13 -0.34 1.97 5.12 -1.26 -4.96 116.66 122.34 1q95 n ARG 14 Ca 0.00 -2.99 0.00 0.00 -1.93 0.00 0.00 57.85 52.93 1q95 n ARG 14 Cb 0.32 -2.02 0.00 0.00 -1.16 0.00 0.00 32.46 29.60 1q95 n ARG 14 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1q95 n GLY 15 N 0.92 -0.49 2.63 -0.13 0.00 -1.23 -4.22 105.19 102.66 1q95 n GLY 15 Ca 0.26 -0.73 -0.05 0.00 0.00 0.00 0.00 46.02 45.51 1q95 n GLY 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1q95 n THR 16 N 0.76 1.49 -1.51 2.61 -1.04 -1.26 -3.21 114.28 112.12 1q95 n THR 16 Ca 0.00 -3.12 -0.46 0.00 -2.04 0.00 0.00 64.05 58.43 1q95 n THR 16 Cb 0.00 0.81 -0.06 0.00 -1.82 0.00 0.00 70.33 69.27 1q95 n THR 16 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1q95 n VAL 17 N -0.59 0.20 -1.97 12.58 0.31 -1.26 -4.86 118.33 122.73 1q95 n VAL 17 Ca 0.14 -0.39 -0.40 0.00 -0.01 0.00 0.00 64.34 63.68 1q95 n VAL 17 Cb 0.84 -2.06 -0.01 0.00 -0.91 0.00 0.00 33.84 31.71 1q95 n VAL 17 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1q95 s ILE 18 N 8.37 2.41 -0.43 2.52 1.01 -1.26 -4.37 121.20 129.46 1q95 s ILE 18 Ca 1.06 0.40 0.08 0.00 0.00 0.00 0.00 60.65 62.19 1q95 s ILE 18 Cb -0.61 -3.25 0.27 0.00 0.01 0.00 0.00 42.46 38.88 1q95 s ILE 18 CO 0.41 0.09 0.72 0.47 0.00 0.00 0.00 174.94 176.63 1q95 n ASP 19 N 0.46 -0.97 -4.66 3.58 8.00 -1.26 -0.14 116.55 121.57 1q95 n ASP 19 Ca 0.01 -3.03 -0.52 0.00 0.71 0.00 0.00 54.79 51.97 1q95 n ASP 19 Cb 0.41 0.40 -0.06 0.00 -0.02 0.00 0.00 41.12 41.86 1q95 n ASP 19 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1q95 n HIS 20 N 1.23 2.14 -3.57 1.24 8.25 -0.51 -3.96 115.22 120.04 1q95 n HIS 20 Ca 0.16 0.20 -0.27 0.00 -0.26 0.00 0.00 57.72 57.56 1q95 n HIS 20 Cb 0.60 -2.58 -0.09 0.00 1.12 0.00 0.00 29.99 29.03 1q95 n HIS 20 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1q95 n ILE 21 N 5.32 1.50 0.00 1.59 5.41 -0.15 -1.57 119.36 131.46 1q95 n ILE 21 Ca 0.27 -4.83 0.00 0.00 1.00 0.00 0.00 62.75 59.19 1q95 n ILE 21 Cb 0.23 -2.08 0.00 0.00 -0.71 0.00 0.00 39.64 37.08 1q95 n ILE 21 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1q95 n PRO 22 N 1.46 0.00 -4.23 0.38 -0.02 -1.21 -3.22 135.00 128.17 1q95 n PRO 22 Ca 0.25 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.48 1q95 n PRO 22 Cb 0.41 -0.99 -0.08 0.00 -0.02 0.00 0.00 33.50 32.81 1q95 n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q95 s ALA 23 N -1.20 3.51 -0.22 3.55 0.00 -1.26 -3.67 121.76 122.48 1q95 s ALA 23 Ca 0.00 -2.13 -0.00 0.00 0.00 0.00 0.00 51.96 49.83 1q95 s ALA 23 Cb 0.00 -0.27 0.18 0.00 0.00 0.00 0.00 23.12 23.03 1q95 s ALA 23 CO 0.00 -0.16 1.84 1.04 0.00 0.00 0.00 175.76 178.48 1q95 n GLN 24 N -1.19 1.56 -3.84 0.00 6.02 -1.26 -4.76 117.38 113.91 1q95 n GLN 24 Ca -0.02 -1.14 -0.34 0.00 -0.01 0.00 0.00 57.00 55.49 1q95 n GLN 24 Cb 0.65 -1.45 -0.12 0.00 1.02 0.00 0.00 30.24 30.34 1q95 n GLN 24 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1q95 s ILE 25 N -1.57 3.11 0.01 5.09 1.09 -1.26 -4.86 121.20 122.80 1q95 s ILE 25 Ca 0.22 -2.66 0.00 0.00 -1.10 0.00 0.00 60.65 57.11 1q95 s ILE 25 Cb 0.18 -3.12 0.00 0.00 -1.06 0.00 0.00 42.46 38.46 1q95 s ILE 25 CO 0.01 -0.76 0.00 0.61 -0.10 0.00 0.00 174.94 174.70 1q95 n GLY 26 N 3.87 -0.00 1.32 6.18 0.00 -1.26 -4.60 105.19 110.69 1q95 n GLY 26 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 1q95 n GLY 26 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1q95 n PHE 27 N -2.99 1.01 -0.95 1.61 3.01 -1.26 -3.44 117.46 114.45 1q95 n PHE 27 Ca 0.00 -0.78 0.00 0.00 1.01 0.00 0.00 57.45 57.68 1q95 n PHE 27 Cb 0.44 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1q95 n PHE 27 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1q95 n LYS 28 N -0.00 0.10 0.00 -1.08 5.02 -1.26 -4.71 118.16 116.23 1q95 n LYS 28 Ca 0.18 -0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 1q95 n LYS 28 Cb 0.83 -0.52 0.00 0.00 -0.02 0.00 0.00 35.03 35.32 1q95 n LYS 28 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1q95 n LEU 29 N -0.02 0.22 -0.05 -0.35 4.77 -1.22 -4.66 117.00 115.69 1q95 n LEU 29 Ca 0.00 -0.37 0.06 0.00 -0.03 0.00 0.00 56.01 55.68 1q95 n LEU 29 Cb 0.43 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1q95 n LEU 29 CO 0.00 0.06 0.01 0.18 -1.33 0.00 0.00 177.39 176.31 1q95 n LEU 30 N -0.29 0.76 -1.53 2.23 4.77 -1.25 -4.38 117.00 117.31 1q95 n LEU 30 Ca 0.00 -0.54 -0.04 0.00 -0.03 0.00 0.00 56.01 55.40 1q95 n LEU 30 Cb 0.05 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.40 1q95 n LEU 30 CO 0.00 0.18 0.89 -1.20 -1.33 0.00 0.00 177.39 175.93 1q95 n SER 31 N -1.12 3.87 -1.48 -1.43 7.64 -1.26 -4.66 113.62 115.18 1q95 n SER 31 Ca 0.03 -3.36 0.01 0.00 1.01 0.00 0.00 58.87 56.56 1q95 n SER 31 Cb 0.22 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 1q95 n SER 31 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1q95 n LEU 32 N -0.60 0.53 0.00 -3.43 4.77 -1.26 -4.93 117.00 112.08 1q95 n LEU 32 Ca 0.36 -2.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.26 1q95 n LEU 32 Cb 1.20 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 42.32 1q95 n LEU 32 CO 0.32 0.78 0.00 0.49 -1.33 0.00 0.00 177.39 177.65 1q95 n PHE 33 N 0.29 0.00 -3.98 -1.77 3.01 -1.26 -4.97 117.46 108.78 1q95 n PHE 33 Ca -0.02 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.09 1q95 n PHE 33 Cb 1.02 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 40.41 1q95 n PHE 33 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 1q95 s LYS 34 N 1.03 3.78 0.00 -1.08 -2.85 -1.26 -5.00 119.74 114.36 1q95 s LYS 34 Ca 0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 55.97 54.68 1q95 s LYS 34 Cb 0.00 -3.19 0.00 0.00 -2.06 0.00 0.00 37.83 32.58 1q95 s LYS 34 CO 0.00 0.43 0.00 1.28 0.10 0.00 0.00 175.35 177.16 1q95 n LEU 35 N 3.05 0.00 -4.79 2.77 4.77 -1.26 -4.99 117.00 116.56 1q95 n LEU 35 Ca -0.17 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.42 1q95 n LEU 35 Cb 0.53 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1q95 n LEU 35 CO 0.34 0.00 0.23 -0.89 -1.33 0.00 0.00 177.39 175.74 1q95 s THR 36 N 0.00 4.92 -0.08 -5.08 2.01 -1.26 -5.05 115.64 111.09 1q95 s THR 36 Ca 0.00 1.12 -0.14 0.00 0.31 0.00 0.00 61.69 62.98 1q95 s THR 36 Cb 0.00 -3.86 0.03 0.00 0.01 0.00 0.00 72.50 68.68 1q95 s THR 36 CO 0.00 0.48 0.35 -0.70 -0.69 0.00 0.00 174.62 174.06 1q95 s GLU 37 N -0.53 0.54 -1.05 4.92 2.12 -1.26 -5.08 118.70 118.36 1q95 s GLU 37 Ca 0.28 0.21 -0.25 0.00 0.36 0.00 0.00 54.97 55.57 1q95 s GLU 37 Cb -0.18 0.25 -0.18 0.00 0.26 0.00 0.00 34.13 34.29 1q95 s GLU 37 CO 0.16 -0.11 1.99 0.25 -0.54 0.00 0.00 175.26 177.01 1q95 n THR 38 N 2.16 0.94 0.00 -1.70 -2.24 -1.26 -4.75 114.28 107.43 1q95 n THR 38 Ca -0.17 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.65 1q95 n THR 38 Cb 0.57 -2.09 0.00 0.00 -2.10 0.00 0.00 70.33 66.71 1q95 n THR 38 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1q95 n ASP 39 N 16.24 0.00 -2.73 3.42 -0.08 -1.26 -5.10 116.55 127.04 1q95 n ASP 39 Ca 0.44 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.63 1q95 n ASP 39 Cb 0.46 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.02 1q95 n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1q95 n GLN 40 N -0.39 1.08 -1.92 -0.67 10.64 -1.26 -5.06 117.38 119.80 1q95 n GLN 40 Ca 0.00 -1.92 -0.24 0.00 -1.83 0.00 0.00 57.00 53.01 1q95 n GLN 40 Cb 0.00 -0.72 -0.08 0.00 -0.86 0.00 0.00 30.24 28.58 1q95 n GLN 40 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 1q95 s ARG 41 N 0.19 2.06 -0.21 2.61 6.06 -1.26 -4.89 118.95 123.51 1q95 s ARG 41 Ca 0.22 -0.91 -0.30 0.00 -2.50 0.00 0.00 55.73 52.24 1q95 s ARG 41 Cb 0.33 -5.15 -0.07 0.00 0.06 0.00 0.00 34.95 30.11 1q95 s ARG 41 CO -0.06 -4.49 2.18 -0.89 -2.50 0.00 0.00 175.30 169.54 1q95 n ILE 42 N 8.21 0.37 -3.51 4.11 5.41 -1.26 -4.84 119.36 127.85 1q95 n ILE 42 Ca 0.44 -0.38 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1q95 n ILE 42 Cb 0.47 -2.34 -0.04 0.00 -0.71 0.00 0.00 39.64 37.01 1q95 n ILE 42 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1q95 s THR 43 N 7.57 -0.75 0.00 1.39 2.01 -1.26 -5.11 115.64 119.48 1q95 s THR 43 Ca 1.01 0.00 0.00 0.00 0.31 0.00 0.00 61.69 63.01 1q95 s THR 43 Cb -0.46 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.05 1q95 s THR 43 CO 0.39 0.00 0.00 -0.38 -0.69 0.00 0.00 174.62 173.94 1q95 n ILE 44 N 5.22 0.00 0.00 1.82 5.41 -1.26 -3.16 119.36 127.40 1q95 n ILE 44 Ca -0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1q95 n ILE 44 Cb 0.51 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.44 1q95 n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1q95 n GLY 45 N 0.00 3.75 2.01 7.39 0.00 -1.26 -4.48 105.19 112.61 1q95 n GLY 45 Ca 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 1q95 n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q95 n LEU 46 N 0.00 0.00 -3.32 0.99 4.77 -1.26 -3.24 117.00 114.94 1q95 n LEU 46 Ca 0.00 -1.73 -0.28 0.00 -0.03 0.00 0.00 56.01 53.97 1q95 n LEU 46 Cb 0.00 1.48 0.03 0.00 -2.33 0.00 0.00 43.42 42.60 1q95 n LEU 46 CO 0.00 -0.39 -0.24 0.59 -1.33 0.00 0.00 177.39 176.03 1q95 n ASN 47 N -1.87 -6.18 -4.52 -1.43 3.02 -1.26 -4.94 115.26 98.08 1q95 n ASN 47 Ca 0.01 0.09 -0.24 0.00 -0.03 0.00 0.00 54.58 54.41 1q95 n ASN 47 Cb 0.35 -2.52 -0.09 0.00 -0.61 0.00 0.00 39.78 36.91 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 -2.32 2.76 0.37 3.41 1.43 -1.25 -5.05 118.68 118.04 1q95 s LEU 48 Ca 0.31 -0.92 -0.25 0.00 -1.03 0.00 0.00 54.13 52.25 1q95 s LEU 48 Cb -0.04 -1.28 -0.13 0.00 0.03 0.00 0.00 46.19 44.77 1q95 s LEU 48 CO 0.77 0.03 0.79 -2.65 0.23 0.00 0.00 176.35 175.52 1q95 n PRO 49 N -0.68 0.93 -3.29 1.29 -0.02 -1.26 -3.68 135.00 128.29 1q95 n PRO 49 Ca -0.06 0.33 -0.39 0.00 -2.02 0.00 0.00 63.50 61.37 1q95 n PRO 49 Cb 0.60 -1.70 -0.06 0.00 -0.02 0.00 0.00 33.50 32.32 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 -0.80 6.99 0.00 2.55 0.15 -1.26 -3.90 113.70 117.43 1q95 s SER 50 Ca 0.62 1.18 0.00 0.00 0.70 0.00 0.00 55.95 58.45 1q95 s SER 50 Cb -0.64 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.33 1q95 s SER 50 CO 0.58 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.86 1q95 n GLY 51 N 1.99 -0.63 1.19 9.45 0.00 0.34 -4.86 105.19 112.67 1q95 n GLY 51 Ca -0.10 -1.27 0.05 0.00 0.00 0.00 0.00 46.02 44.70 1q95 n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q95 n GLU 52 N 0.00 2.97 0.02 1.61 1.02 -1.26 -4.41 120.64 120.60 1q95 n GLU 52 Ca 0.00 -1.85 0.00 0.00 -0.02 0.00 0.00 57.16 55.29 1q95 n GLU 52 Cb 0.00 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 1q95 n GLU 52 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1q95 n MET 53 N 0.53 0.00 -3.91 3.49 2.81 -1.26 -5.16 117.12 113.62 1q95 n MET 53 Ca 0.17 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.96 1q95 n MET 53 Cb 0.69 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 33.15 1q95 n MET 53 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1q95 s GLY 54 N -4.56 0.33 0.65 3.03 0.00 -1.26 -5.13 107.32 100.38 1q95 s GLY 54 Ca 0.00 -0.69 -0.11 0.00 0.00 0.00 0.00 44.72 43.92 1q95 s GLY 54 CO 0.00 -0.57 0.80 0.54 0.00 0.00 0.00 173.10 173.87 1q95 n ARG 55 N -0.33 -1.17 -3.40 2.90 1.74 -1.24 -0.50 116.66 114.66 1q95 n ARG 55 Ca -0.06 -1.24 -0.23 0.00 -0.77 0.00 0.00 57.85 55.55 1q95 n ARG 55 Cb 0.62 -0.90 -0.10 0.00 -1.02 0.00 0.00 32.46 31.07 1q95 n ARG 55 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1q95 s LYS 56 N -4.76 0.62 0.24 5.56 1.02 -1.24 -3.29 119.74 117.88 1q95 s LYS 56 Ca 0.47 -1.17 -0.04 0.00 0.02 0.00 0.00 55.97 55.25 1q95 s LYS 56 Cb -0.02 -1.03 -0.05 0.00 -0.52 0.00 0.00 37.83 36.21 1q95 s LYS 56 CO 0.33 -1.22 0.48 -0.51 -0.92 0.00 0.00 175.35 173.51 1q95 s ASP 57 N 1.16 6.44 0.00 2.83 1.01 -1.20 -3.79 116.67 123.13 1q95 s ASP 57 Ca 0.19 0.61 0.00 0.00 0.71 0.00 0.00 52.55 54.05 1q95 s ASP 57 Cb -0.18 -2.10 0.00 0.00 1.01 0.00 0.00 42.92 41.65 1q95 s ASP 57 CO -0.02 -0.10 0.00 0.18 0.21 0.00 0.00 175.17 175.44 1q95 n LEU 58 N -0.66 0.00 -3.51 1.23 4.77 -1.20 -0.97 117.00 116.66 1q95 n LEU 58 Ca -0.03 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 1q95 n LEU 58 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1q95 n LEU 58 CO 0.48 0.00 0.63 -0.63 -1.33 0.00 0.00 177.39 176.54 1q95 s ILE 59 N -0.61 0.00 -0.43 -0.08 1.01 -1.25 -4.64 121.20 115.19 1q95 s ILE 59 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.70 1q95 s ILE 59 Cb 0.00 -1.00 0.18 0.00 0.01 0.00 0.00 42.46 41.65 1q95 s ILE 59 CO 0.00 0.00 0.43 0.29 0.00 0.00 0.00 174.94 175.66 1q95 n LYS 60 N 0.11 0.27 -3.84 2.79 5.02 -1.19 -4.30 118.16 117.03 1q95 n LYS 60 Ca -0.12 -2.93 -0.12 0.00 -2.02 0.00 0.00 58.31 53.12 1q95 n LYS 60 Cb 0.61 -1.61 -0.10 0.00 -0.02 0.00 0.00 35.03 33.91 1q95 n LYS 60 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1q95 s ILE 61 N 0.19 0.08 -1.24 -0.18 1.01 -1.20 -4.13 121.20 115.73 1q95 s ILE 61 Ca 0.32 -0.62 -0.20 0.00 0.00 0.00 0.00 60.65 60.15 1q95 s ILE 61 Cb 0.04 -0.47 -0.01 0.00 0.01 0.00 0.00 42.46 42.03 1q95 s ILE 61 CO -0.17 -0.34 1.85 -0.62 0.00 0.00 0.00 174.94 175.66 1q95 n GLU 62 N 1.45 2.41 -4.79 2.79 1.02 -1.26 -4.35 120.64 117.92 1q95 n GLU 62 Ca -0.22 -2.84 -0.33 0.00 -0.02 0.00 0.00 57.16 53.75 1q95 n GLU 62 Cb 0.56 -3.57 -0.12 0.00 -0.02 0.00 0.00 31.44 28.28 1q95 n GLU 62 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1q95 s ASN 63 N 5.21 4.26 -0.35 1.62 0.01 -1.26 -5.04 114.94 119.40 1q95 s ASN 63 Ca 0.60 -0.13 -0.37 0.00 -0.71 0.00 0.00 52.86 52.25 1q95 s ASN 63 Cb 0.03 -1.00 -0.16 0.00 0.41 0.00 0.00 41.25 40.53 1q95 s ASN 63 CO 0.10 0.35 1.24 1.07 -1.51 0.00 0.00 177.10 178.34 1q95 n THR 64 N 2.32 0.00 -1.70 1.60 5.66 -1.26 -4.77 114.28 116.14 1q95 n THR 64 Ca -0.17 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.40 1q95 n THR 64 Cb 0.52 -0.35 -0.01 0.00 -1.55 0.00 0.00 70.33 68.95 1q95 n THR 64 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1q95 n PHE 65 N 2.95 2.30 -4.06 1.09 3.01 -1.26 -4.98 117.46 116.52 1q95 n PHE 65 Ca 0.24 0.53 -0.32 0.00 1.01 0.00 0.00 57.45 58.91 1q95 n PHE 65 Cb -0.03 -2.43 -0.15 0.00 -0.01 0.00 0.00 39.48 36.86 1q95 n PHE 65 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1q95 s LEU 66 N -0.93 3.24 -0.19 4.37 1.43 -1.26 -4.96 118.68 120.39 1q95 s LEU 66 Ca 0.57 -1.31 0.17 0.00 -1.03 0.00 0.00 54.13 52.53 1q95 s LEU 66 Cb -0.57 -1.50 -0.24 0.00 0.03 0.00 0.00 46.19 43.90 1q95 s LEU 66 CO 0.61 -0.18 0.08 -1.20 0.23 0.00 0.00 176.35 175.89 1q95 n SER 67 N 4.47 0.18 0.00 2.29 7.64 -1.26 -4.77 113.62 122.18 1q95 n SER 67 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1q95 n SER 67 Cb 0.43 1.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.64 1q95 n SER 67 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1q95 n GLU 68 N -2.71 0.00 0.00 1.43 1.02 -1.26 -4.94 120.64 114.18 1q95 n GLU 68 Ca -0.31 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.83 1q95 n GLU 68 Cb 1.12 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.54 1q95 n GLU 68 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1q95 n ASP 69 N -2.44 0.00 -1.70 1.62 8.00 -1.26 -3.12 116.55 117.66 1q95 n ASP 69 Ca 0.00 0.04 -0.08 0.00 0.71 0.00 0.00 54.79 55.46 1q95 n ASP 69 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 1q95 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q95 n GLN 70 N -0.07 1.39 0.00 -1.24 6.02 -1.26 -3.71 117.38 118.50 1q95 n GLN 70 Ca 0.00 -0.70 0.00 0.00 -0.01 0.00 0.00 57.00 56.29 1q95 n GLN 70 Cb 0.00 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 29.95 1q95 n GLN 70 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1q95 n VAL 71 N 1.08 0.00 -0.01 5.09 3.14 -1.18 -4.70 118.33 121.75 1q95 n VAL 71 Ca 0.15 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.42 1q95 n VAL 71 Cb 0.55 -0.47 0.04 0.00 -1.06 0.00 0.00 33.84 32.90 1q95 n VAL 71 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1q95 h ASP 72 N 0.00 0.68 0.00 6.55 3.32 -1.63 -3.05 116.42 122.29 1q95 h ASP 72 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1q95 h ASP 72 Cb 0.89 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1q95 h ASP 72 CO 0.00 1.09 0.15 1.67 -1.72 0.00 0.00 179.24 180.43 1q95 n GLN 73 N -3.97 0.00 0.00 3.56 7.27 -1.26 -1.74 117.38 121.25 1q95 n GLN 73 Ca -0.03 0.17 0.00 0.00 0.07 0.00 0.00 57.00 57.21 1q95 n GLN 73 Cb 0.61 -1.65 0.00 0.00 2.41 0.00 0.00 30.24 31.60 1q95 n GLN 73 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1q95 n LEU 74 N -1.09 0.31 -4.77 1.69 4.77 -1.16 -4.88 117.00 111.88 1q95 n LEU 74 Ca 0.00 -0.16 -0.40 0.00 -0.03 0.00 0.00 56.01 55.43 1q95 n LEU 74 Cb 0.15 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1q95 n LEU 74 CO 0.00 0.08 1.00 0.00 -1.33 0.00 0.00 177.39 177.14 1q95 s ALA 75 N -1.66 3.31 -0.67 -1.18 0.00 -0.71 -1.54 121.76 119.31 1q95 s ALA 75 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1q95 s ALA 75 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1q95 s ALA 75 CO 0.00 -0.91 0.00 1.28 0.00 0.00 0.00 175.76 176.13 1q95 n LEU 76 N 0.15 -0.72 0.00 0.00 4.77 -1.26 -4.54 117.00 115.39 1q95 n LEU 76 Ca 0.03 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1q95 n LEU 76 Cb 0.43 -1.72 0.00 0.00 -2.33 0.00 0.00 43.42 39.80 1q95 n LEU 76 CO 0.57 -0.09 -0.31 -1.22 -1.33 0.00 0.00 177.39 175.01 1q95 n TYR 77 N -3.03 0.00 -2.67 -1.77 0.53 -1.03 -4.93 117.16 104.26 1q95 n TYR 77 Ca -0.09 0.00 -0.05 0.00 -1.02 0.00 0.00 57.90 56.74 1q95 n TYR 77 Cb 0.56 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 38.94 1q95 n TYR 77 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1q95 n ALA 78 N -1.52 -3.48 0.14 -0.72 0.00 -0.59 -4.74 120.51 109.61 1q95 n ALA 78 Ca 0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 1q95 n ALA 78 Cb 0.31 -3.14 -0.06 0.00 0.00 0.00 0.00 19.45 16.56 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 3.30 -0.49 -2.43 0.00 0.11 -1.92 -2.76 132.00 127.82 1q95 h PRO 79 Ca -0.21 0.03 -0.36 0.00 0.11 0.00 0.00 66.00 65.57 1q95 h PRO 79 Cb 1.19 0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.39 1q95 h PRO 79 CO -0.16 -0.33 1.26 0.00 -0.21 0.00 0.00 178.00 178.56 1q95 n GLN 80 N -5.38 2.57 -4.18 1.05 10.64 -1.26 -4.86 117.38 115.96 1q95 n GLN 80 Ca -0.07 -1.42 -0.17 0.00 -1.83 0.00 0.00 57.00 53.50 1q95 n GLN 80 Cb 0.29 -2.29 -0.12 0.00 -0.86 0.00 0.00 30.24 27.26 1q95 n GLN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1q95 s ALA 81 N 1.55 1.21 -0.08 2.61 0.00 -1.04 -3.50 121.76 122.50 1q95 s ALA 81 Ca 0.66 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 1q95 s ALA 81 Cb 0.26 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.34 1q95 s ALA 81 CO -0.02 0.11 -0.03 0.99 0.00 0.00 0.00 175.76 176.80 1q95 s THR 82 N -1.67 0.65 0.05 0.00 2.01 -0.61 -4.58 115.64 111.49 1q95 s THR 82 Ca 0.01 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 61.95 1q95 s THR 82 Cb -0.08 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1q95 s THR 82 CO 0.02 0.30 0.15 0.68 -0.69 0.00 0.00 174.62 175.08 1q95 s VAL 83 N 1.75 5.05 0.00 3.82 -7.23 -1.20 -1.43 120.40 121.16 1q95 s VAL 83 Ca 0.03 -0.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 1q95 s VAL 83 Cb -0.13 -3.42 0.00 0.00 0.56 0.00 0.00 36.38 33.39 1q95 s VAL 83 CO -0.06 0.19 0.00 0.59 -0.31 0.00 0.00 175.10 175.51 1q95 n ASN 84 N 0.54 1.13 -3.99 4.85 3.02 0.80 -3.29 115.26 118.33 1q95 n ASN 84 Ca -0.08 -0.59 -0.10 0.00 -0.03 0.00 0.00 54.58 53.78 1q95 n ASN 84 Cb 0.52 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.62 1q95 n ASN 84 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1q95 s ARG 85 N -0.78 1.28 -0.19 3.52 0.52 -1.21 -4.46 118.95 117.63 1q95 s ARG 85 Ca 0.00 -1.23 -0.05 0.00 -0.52 0.00 0.00 55.73 53.93 1q95 s ARG 85 Cb 0.00 0.40 0.07 0.00 0.52 0.00 0.00 34.95 35.94 1q95 s ARG 85 CO 0.00 -0.49 0.13 0.42 0.02 0.00 0.00 175.30 175.38 1q95 s ILE 86 N -4.00 -0.16 -0.12 1.52 -1.09 -1.26 -3.13 121.20 112.96 1q95 s ILE 86 Ca 0.21 -0.19 0.11 0.00 -2.23 0.00 0.00 60.65 58.55 1q95 s ILE 86 Cb 0.02 -0.63 -0.15 0.00 -1.58 0.00 0.00 42.46 40.12 1q95 s ILE 86 CO 0.04 -0.29 0.05 0.47 -1.23 0.00 0.00 174.94 173.98 1q95 n ASP 87 N 5.29 2.02 0.00 3.58 8.00 -1.26 -4.95 116.55 129.23 1q95 n ASP 87 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1q95 n ASP 87 Cb 0.49 0.82 0.00 0.00 -0.02 0.00 0.00 41.12 42.41 1q95 n ASP 87 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1q95 n ASN 88 N -2.43 0.00 -0.86 -2.24 2.85 -1.26 -5.00 115.26 106.32 1q95 n ASN 88 Ca -0.19 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.37 1q95 n ASN 88 Cb 0.88 0.00 0.14 0.00 1.24 0.00 0.00 39.78 42.04 1q95 n ASN 88 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1q95 n TYR 89 N 0.00 0.28 -4.06 1.20 4.02 -1.26 -4.88 117.16 112.46 1q95 n TYR 89 Ca 0.00 -0.18 -0.11 0.00 -0.01 0.00 0.00 57.90 57.61 1q95 n TYR 89 Cb 0.00 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.26 1q95 n TYR 89 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1q95 s GLU 90 N -1.36 1.54 0.46 -0.72 2.12 -1.26 -3.49 118.70 116.00 1q95 s GLU 90 Ca 0.28 -1.42 -0.22 0.00 0.36 0.00 0.00 54.97 53.97 1q95 s GLU 90 Cb 0.17 0.42 -0.11 0.00 0.26 0.00 0.00 34.13 34.88 1q95 s GLU 90 CO 0.24 -0.62 0.65 0.28 -0.54 0.00 0.00 175.26 175.28 1q95 n VAL 91 N -0.39 2.11 0.00 3.70 0.31 -1.26 -4.16 118.33 118.63 1q95 n VAL 91 Ca -0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1q95 n VAL 91 Cb 0.63 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 1q95 n VAL 91 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1q95 n VAL 92 N -1.02 0.00 -4.47 2.52 0.31 -1.18 -4.91 118.33 109.57 1q95 n VAL 92 Ca 0.11 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.22 1q95 n VAL 92 Cb 0.42 -0.40 -0.14 0.00 -0.91 0.00 0.00 33.84 32.81 1q95 n VAL 92 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1q95 s GLY 93 N -3.79 0.93 -0.02 2.92 0.00 -1.26 -5.02 107.32 101.08 1q95 s GLY 93 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1q95 s GLY 93 CO 0.00 -0.88 0.02 0.54 0.00 0.00 0.00 173.10 172.78 1q95 s LYS 94 N -1.15 0.03 -0.25 2.90 1.02 -1.26 -3.34 119.74 117.68 1q95 s LYS 94 Ca 0.04 0.13 -0.15 0.00 0.02 0.00 0.00 55.97 56.01 1q95 s LYS 94 Cb -0.08 -0.24 0.07 0.00 -0.52 0.00 0.00 37.83 37.06 1q95 s LYS 94 CO 0.01 -0.13 0.63 -1.54 -0.92 0.00 0.00 175.35 173.40 1q95 s SER 95 N 0.84 -0.83 -0.72 2.83 1.04 -1.21 -5.08 113.70 110.57 1q95 s SER 95 Ca -0.07 1.37 -0.01 0.00 0.48 0.00 0.00 55.95 57.71 1q95 s SER 95 Cb -0.10 1.25 0.18 0.00 0.10 0.00 0.00 66.02 67.45 1q95 s SER 95 CO -0.02 -0.23 0.56 -0.60 0.98 0.00 0.00 173.24 173.93 1q95 s ARG 96 N 1.46 2.78 0.61 4.02 3.52 -1.26 -3.24 118.95 126.84 1q95 s ARG 96 Ca -0.09 -2.89 -0.10 0.00 -0.13 0.00 0.00 55.73 52.52 1q95 s ARG 96 Cb -0.06 -3.76 0.15 0.00 -1.56 0.00 0.00 34.95 29.73 1q95 s ARG 96 CO -0.16 -1.22 0.34 -2.30 -0.81 0.00 0.00 175.30 171.15 1q95 n PRO 97 N 2.89 -2.47 0.00 5.12 -0.02 -1.26 -5.06 135.00 134.20 1q95 n PRO 97 Ca 0.14 -0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.05 1q95 n PRO 97 Cb 0.37 -0.82 0.00 0.00 -0.02 0.00 0.00 33.50 33.03 1q95 n PRO 97 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1q95 n SER 98 N -3.38 0.00 -3.24 2.55 2.88 -1.26 -4.99 113.62 106.18 1q95 n SER 98 Ca 0.05 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.57 1q95 n SER 98 Cb 0.23 0.04 -0.04 0.00 -0.75 0.00 0.00 64.21 63.69 1q95 n SER 98 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1q95 s LEU 99 N -3.49 -1.05 0.04 2.46 1.43 -1.26 -4.46 118.68 112.35 1q95 s LEU 99 Ca 0.00 0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 53.23 1q95 s LEU 99 Cb 0.00 1.64 -0.05 0.00 0.03 0.00 0.00 46.19 47.81 1q95 s LEU 99 CO 0.00 -0.29 1.18 -2.84 0.23 0.00 0.00 176.35 174.63 1q95 s PRO 100 N 2.70 4.44 0.20 1.29 0.02 -1.26 -4.94 135.00 137.45 1q95 s PRO 100 Ca 0.16 1.73 -0.10 0.00 0.02 0.00 0.00 61.00 62.80 1q95 s PRO 100 Cb -0.14 -3.38 0.21 0.00 0.02 0.00 0.00 34.50 31.21 1q95 s PRO 100 CO -0.20 -0.25 1.81 0.93 -0.33 0.00 0.00 177.00 178.96 1q95 h GLU 101 N 6.86 0.68 -5.36 5.54 5.08 -1.94 -3.40 114.58 122.04 1q95 h GLU 101 Ca -0.41 -0.04 -0.60 0.00 -1.00 0.00 0.00 59.36 57.31 1q95 h GLU 101 Cb 1.21 -0.15 -0.12 0.00 0.50 0.00 0.00 28.75 30.19 1q95 h GLU 101 CO 0.81 0.45 -0.32 1.03 -1.00 0.00 0.00 179.01 179.97 1q95 s ARG 102 N -6.10 4.18 -0.36 2.33 1.81 -1.26 -0.58 118.95 118.96 1q95 s ARG 102 Ca -0.13 0.04 0.01 0.00 -1.72 0.00 0.00 55.73 53.93 1q95 s ARG 102 Cb 0.16 -3.50 0.11 0.00 -0.45 0.00 0.00 34.95 31.27 1q95 s ARG 102 CO 0.76 0.09 0.14 0.42 -0.68 0.00 0.00 175.30 176.02 1q95 s ILE 103 N 0.95 1.34 0.18 1.52 -1.09 -0.17 -4.97 121.20 118.96 1q95 s ILE 103 Ca 0.15 -1.98 0.05 0.00 -2.23 0.00 0.00 60.65 56.64 1q95 s ILE 103 Cb -0.14 -1.98 -0.04 0.00 -1.58 0.00 0.00 42.46 38.73 1q95 s ILE 103 CO 0.05 -0.73 0.19 -1.81 -1.23 0.00 0.00 174.94 171.41 1q95 s ASP 104 N 1.05 5.76 0.00 3.58 1.01 -1.26 0.47 116.67 127.28 1q95 s ASP 104 Ca 0.13 -0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.32 1q95 s ASP 104 Cb -0.20 -1.57 0.00 0.00 1.01 0.00 0.00 42.92 42.16 1q95 s ASP 104 CO -0.14 0.04 0.00 0.59 0.21 0.00 0.00 175.17 175.87 1q95 n ASN 105 N -0.59 0.00 0.00 0.27 3.02 0.02 -4.49 115.26 113.49 1q95 n ASN 105 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1q95 n ASN 105 Cb 0.55 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 1q95 n ASN 105 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1q95 n VAL 106 N 0.00 0.00 -2.95 2.41 0.31 -1.26 -4.47 118.33 112.37 1q95 n VAL 106 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.09 1q95 n VAL 106 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 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 -7.87 3.68 -0.07 7.52 1.43 -1.26 0.28 118.68 122.39 1q95 s LEU 107 Ca 0.00 0.50 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 1q95 s LEU 107 Cb 0.00 -3.38 0.01 0.00 0.03 0.00 0.00 46.19 42.85 1q95 s LEU 107 CO 0.00 -0.62 -0.17 -0.69 0.23 0.00 0.00 176.35 175.10 1q95 s VAL 108 N -2.58 1.48 0.06 -1.59 1.01 -0.89 -4.67 120.40 113.22 1q95 s VAL 108 Ca 0.47 -0.69 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 1q95 s VAL 108 Cb -0.10 -1.31 -0.08 0.00 0.00 0.00 0.00 36.38 34.89 1q95 s VAL 108 CO 0.40 0.43 1.63 0.00 0.00 0.00 0.00 175.10 177.56 1q95 h PRO 110 N 8.35 1.10 -5.58 0.00 0.11 -1.94 -3.41 132.00 130.62 1q95 h PRO 110 Ca -0.42 -0.07 -0.50 0.00 0.11 0.00 0.00 66.00 65.13 1q95 h PRO 110 Cb 1.20 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1q95 h PRO 110 CO 0.93 0.73 1.63 -1.71 -0.21 0.00 0.00 178.00 179.36 1q95 n ASN 111 N -4.49 2.09 0.08 -2.05 5.15 -1.26 -4.84 115.26 109.94 1q95 n ASN 111 Ca 0.14 -0.26 0.10 0.00 -0.60 0.00 0.00 54.58 53.97 1q95 n ASN 111 Cb 0.18 -1.46 0.58 0.00 -0.53 0.00 0.00 39.78 38.55 1q95 n ASN 111 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1q95 h SER 112 N 17.42 0.17 -0.22 1.20 4.64 -2.03 -1.22 113.55 133.51 1q95 h SER 112 Ca -0.23 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1q95 h SER 112 Cb 1.28 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1q95 h SER 112 CO 1.16 0.11 0.00 -3.20 -0.87 0.00 0.00 176.83 174.04 1q95 n ASN 113 N -4.48 1.33 -4.75 4.97 4.05 -1.26 -4.87 115.26 110.25 1q95 n ASN 113 Ca 0.04 -1.90 -0.41 0.00 0.45 0.00 0.00 54.58 52.75 1q95 n ASN 113 Cb 0.25 -0.15 -0.02 0.00 1.23 0.00 0.00 39.78 41.09 1q95 n ASN 113 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1q95 n ILE 115 N 1.73 1.22 0.74 0.00 0.13 -1.26 -1.90 119.36 120.02 1q95 n ILE 115 Ca 0.04 0.63 0.12 0.00 -1.10 0.00 0.00 62.75 62.45 1q95 n ILE 115 Cb 0.41 -1.62 0.49 0.00 -0.84 0.00 0.00 39.64 38.07 1q95 n ILE 115 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 1q95 n SER 116 N -2.08 0.27 -1.63 9.51 3.41 -1.26 -3.93 113.62 117.91 1q95 n SER 116 Ca -0.01 0.54 -0.11 0.00 -0.26 0.00 0.00 58.87 59.03 1q95 n SER 116 Cb 0.05 -0.61 0.06 0.00 -0.26 0.00 0.00 64.21 63.45 1q95 n SER 116 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1q95 n HIS 117 N -1.77 1.28 -0.11 7.33 8.25 -0.80 -4.13 115.22 125.28 1q95 n HIS 117 Ca 0.05 -1.34 0.00 0.00 -0.26 0.00 0.00 57.72 56.17 1q95 n HIS 117 Cb 0.31 -0.67 0.00 0.00 1.12 0.00 0.00 29.99 30.76 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 0.07 0.05 -2.45 -1.41 0.00 -1.25 -5.10 120.51 110.42 1q95 n ALA 118 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.44 1q95 n ALA 118 Cb 0.83 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.16 1q95 n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1q95 s GLU 119 N 0.00 1.35 -0.27 0.00 0.41 -1.26 -5.03 118.70 113.91 1q95 s GLU 119 Ca 0.00 -1.41 -0.02 0.00 -0.41 0.00 0.00 54.97 53.13 1q95 s GLU 119 Cb 0.00 -1.58 -0.02 0.00 -1.78 0.00 0.00 34.13 30.75 1q95 s GLU 119 CO 0.00 0.34 1.33 -2.30 -0.49 0.00 0.00 175.26 174.15 1q95 n PRO 120 N 0.45 0.66 -3.85 0.39 -0.02 -1.26 -4.77 135.00 126.60 1q95 n PRO 120 Ca -0.14 -0.74 -0.12 0.00 -2.02 0.00 0.00 63.50 60.48 1q95 n PRO 120 Cb 0.56 -2.08 -0.11 0.00 -0.02 0.00 0.00 33.50 31.85 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 4.22 0.04 0.25 -1.45 -7.23 -1.26 -5.15 120.40 109.82 1q95 s VAL 121 Ca 0.13 -0.35 -0.24 0.00 -1.81 0.00 0.00 61.98 59.72 1q95 s VAL 121 Cb 0.04 -0.31 -0.09 0.00 0.56 0.00 0.00 36.38 36.58 1q95 s VAL 121 CO -0.01 -0.19 0.84 -0.44 -0.31 0.00 0.00 175.10 174.99 1q95 s SER 122 N -0.63 7.27 1.18 4.85 0.01 -1.26 -5.05 113.70 120.07 1q95 s SER 122 Ca -0.07 1.66 -0.14 0.00 1.31 0.00 0.00 55.95 58.71 1q95 s SER 122 Cb -0.04 -2.51 0.28 0.00 0.21 0.00 0.00 66.02 63.96 1q95 s SER 122 CO 0.01 0.03 1.03 -0.94 0.41 0.00 0.00 173.24 173.78 1q95 s SER 123 N -1.51 0.93 -0.29 2.44 1.04 -1.26 -4.71 113.70 110.34 1q95 s SER 123 Ca 0.44 1.27 -0.22 0.00 0.48 0.00 0.00 55.95 57.92 1q95 s SER 123 Cb -0.19 -1.96 0.16 0.00 0.10 0.00 0.00 66.02 64.13 1q95 s SER 123 CO 0.24 -4.19 1.18 -0.55 0.98 0.00 0.00 173.24 170.89 1q95 s SER 124 N -2.88 -0.29 0.06 7.02 0.15 -1.26 -0.80 113.70 115.70 1q95 s SER 124 Ca 0.68 0.53 0.02 0.00 0.70 0.00 0.00 55.95 57.88 1q95 s SER 124 Cb -0.21 0.73 -0.03 0.00 -1.71 0.00 0.00 66.02 64.79 1q95 s SER 124 CO 0.62 -0.09 -0.08 -0.36 1.20 0.00 0.00 173.24 174.53 1q95 s PHE 125 N 0.49 0.76 -0.20 3.44 0.40 0.18 -2.01 117.98 121.04 1q95 s PHE 125 Ca 0.01 -0.63 -0.08 0.00 -0.60 0.00 0.00 56.93 55.63 1q95 s PHE 125 Cb -0.04 -0.45 -0.04 0.00 0.51 0.00 0.00 43.02 43.00 1q95 s PHE 125 CO -0.11 -0.10 0.08 0.00 0.70 0.00 0.00 175.22 175.79 1q95 s ALA 126 N -2.08 3.40 0.28 5.36 0.00 -0.91 -1.00 121.76 126.82 1q95 s ALA 126 Ca -0.03 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.10 1q95 s ALA 126 Cb -0.05 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1q95 s ALA 126 CO -0.01 0.02 0.48 0.14 0.00 0.00 0.00 175.76 176.39 1q95 s VAL 127 N 0.67 5.14 -0.30 0.00 -7.23 0.25 -2.86 120.40 116.07 1q95 s VAL 127 Ca 0.04 -0.40 -0.02 0.00 -1.81 0.00 0.00 61.98 59.80 1q95 s VAL 127 Cb -0.13 -3.80 0.19 0.00 0.56 0.00 0.00 36.38 33.20 1q95 s VAL 127 CO 0.02 -0.38 0.68 -0.60 -0.31 0.00 0.00 175.10 174.51 1q95 s ARG 128 N -3.85 0.49 -0.02 4.82 3.52 -1.25 -4.84 118.95 117.83 1q95 s ARG 128 Ca 0.40 0.76 -0.33 0.00 -0.13 0.00 0.00 55.73 56.42 1q95 s ARG 128 Cb -0.10 0.41 -0.12 0.00 -1.56 0.00 0.00 34.95 33.58 1q95 s ARG 128 CO 0.32 -0.65 1.85 1.17 -0.81 0.00 0.00 175.30 177.18 1q95 n LYS 129 N 5.42 2.33 -0.39 5.12 4.81 -1.26 -3.45 118.16 130.74 1q95 n LYS 129 Ca 0.00 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 1q95 n LYS 129 Cb 0.52 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.87 1q95 n LYS 129 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1q95 n ARG 130 N 6.23 0.00 -1.53 1.64 1.85 -0.91 -5.02 116.66 118.93 1q95 n ARG 130 Ca 0.21 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.67 1q95 n ARG 130 Cb 0.32 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.67 1q95 n ARG 130 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1q95 n ALA 131 N -3.00 0.76 -2.77 2.89 0.00 -1.26 -3.14 120.51 114.00 1q95 n ALA 131 Ca 0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 53.44 52.64 1q95 n ALA 131 Cb 0.00 -2.93 -0.01 0.00 0.00 0.00 0.00 19.45 16.52 1q95 n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1q95 n ASN 132 N 13.94 -3.07 0.00 0.00 5.15 -1.26 -4.82 115.26 125.20 1q95 n ASN 132 Ca 0.43 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.49 1q95 n ASN 132 Cb 0.40 -2.63 0.00 0.00 -0.53 0.00 0.00 39.78 37.02 1q95 n ASN 132 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1q95 n ASP 133 N -1.88 0.00 -4.23 1.20 5.75 -1.19 -5.15 116.55 111.05 1q95 n ASP 133 Ca -0.07 0.00 -0.29 0.00 -0.01 0.00 0.00 54.79 54.42 1q95 n ASP 133 Cb 0.56 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.49 1q95 n ASP 133 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1q95 s ILE 134 N -2.00 1.81 -0.40 2.12 1.01 -1.26 -2.13 121.20 120.35 1q95 s ILE 134 Ca 0.00 -0.95 -0.15 0.00 0.00 0.00 0.00 60.65 59.55 1q95 s ILE 134 Cb 0.00 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 40.96 1q95 s ILE 134 CO 0.00 0.51 0.31 0.00 0.00 0.00 0.00 174.94 175.76 1q95 s ALA 135 N -0.25 3.48 -0.12 9.38 0.00 -1.22 -0.44 121.76 132.58 1q95 s ALA 135 Ca 0.01 -1.61 -0.14 0.00 0.00 0.00 0.00 51.96 50.22 1q95 s ALA 135 Cb -0.11 -2.87 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 1q95 s ALA 135 CO 0.02 -1.37 0.32 -0.51 0.00 0.00 0.00 175.76 174.22 1q95 s LEU 136 N 1.76 4.31 -0.06 0.00 1.43 0.67 -3.82 118.68 122.96 1q95 s LEU 136 Ca 0.06 0.63 0.03 0.00 -1.03 0.00 0.00 54.13 53.82 1q95 s LEU 136 Cb -0.18 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 43.63 1q95 s LEU 136 CO 0.11 0.16 -0.13 -1.59 0.23 0.00 0.00 176.35 175.13 1q95 s LYS 137 N 0.02 1.76 0.20 1.70 0.00 -1.14 0.38 119.74 122.68 1q95 s LYS 137 Ca 0.19 -0.46 -0.32 0.00 0.00 0.00 0.00 55.97 55.38 1q95 s LYS 137 Cb -0.14 -1.45 -0.13 0.00 0.00 0.00 0.00 37.83 36.11 1q95 s LYS 137 CO 0.06 0.06 1.64 0.00 0.00 0.00 0.00 175.35 177.12 1q95 h LYS 139 N 6.09 0.00 0.00 0.00 3.64 -1.76 0.32 116.57 124.86 1q95 h LYS 139 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1q95 h LYS 139 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1q95 h LYS 139 CO 0.90 0.25 -0.13 1.88 -2.27 0.00 0.00 179.45 180.07 1q95 h TYR 140 N 0.00 0.00 0.00 1.91 0.05 -1.91 -3.40 116.97 113.62 1q95 h TYR 140 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1q95 h TYR 140 Cb 0.45 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1q95 h TYR 140 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.11 1q95 n GLU 142 N -1.85 -0.20 -2.42 0.00 1.02 0.10 -4.98 120.64 112.31 1q95 n GLU 142 Ca 0.05 0.05 -0.41 0.00 -0.02 0.00 0.00 57.16 56.84 1q95 n GLU 142 Cb 0.33 -3.66 -0.04 0.00 -0.02 0.00 0.00 31.44 28.05 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 -0.64 4.55 -0.25 3.49 1.02 -1.26 -4.59 119.74 122.06 1q95 s LYS 143 Ca 0.00 1.85 -0.12 0.00 0.02 0.00 0.00 55.97 57.72 1q95 s LYS 143 Cb 0.00 -3.22 -0.05 0.00 -0.52 0.00 0.00 37.83 34.04 1q95 s LYS 143 CO 0.00 0.04 0.22 -2.00 -0.92 0.00 0.00 175.35 172.69 1q95 s GLU 144 N -0.77 4.04 0.17 1.68 2.12 -1.26 -1.12 118.70 123.57 1q95 s GLU 144 Ca 0.49 -0.19 0.11 0.00 0.36 0.00 0.00 54.97 55.74 1q95 s GLU 144 Cb -0.32 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.44 1q95 s GLU 144 CO 0.39 -0.06 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.75 1q95 s PHE 145 N 1.42 2.20 0.10 5.30 0.08 1.24 -4.90 117.98 123.43 1q95 s PHE 145 Ca 0.10 -0.38 -0.30 0.00 0.12 0.00 0.00 56.93 56.46 1q95 s PHE 145 Cb -0.15 -1.11 -0.06 0.00 -0.57 0.00 0.00 43.02 41.13 1q95 s PHE 145 CO 0.08 0.43 1.04 -1.54 -0.10 0.00 0.00 175.22 175.13 1q95 s SER 146 N -2.52 7.34 0.56 1.36 1.04 -1.26 0.24 113.70 120.46 1q95 s SER 146 Ca 0.18 1.89 0.24 0.00 0.48 0.00 0.00 55.95 58.73 1q95 s SER 146 Cb -0.08 -2.59 0.82 0.00 0.10 0.00 0.00 66.02 64.27 1q95 s SER 146 CO 0.08 -0.21 1.18 1.57 0.98 0.00 0.00 173.24 176.84 1q95 n HIS 147 N 3.07 0.00 0.00 5.02 -0.00 0.42 -2.00 115.22 121.73 1q95 n HIS 147 Ca 0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.22 1q95 n HIS 147 Cb 0.48 -0.24 0.00 0.00 -0.12 0.00 0.00 29.99 30.12 1q95 n HIS 147 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1q95 n ASN 148 N -3.07 0.00 -0.33 0.26 2.85 -1.26 -3.89 115.26 109.82 1q95 n ASN 148 Ca 0.21 0.59 0.17 0.00 -0.11 0.00 0.00 54.58 55.44 1q95 n ASN 148 Cb 1.40 -0.23 0.33 0.00 1.24 0.00 0.00 39.78 42.52 1q95 n ASN 148 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1q95 h VAL 149 N 0.00 0.06 -1.59 3.44 2.07 -1.80 -3.37 116.25 115.06 1q95 h VAL 149 Ca 0.00 -0.01 -0.44 0.00 0.82 0.00 0.00 66.70 67.07 1q95 h VAL 149 Cb 0.00 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1q95 h VAL 149 CO 0.00 0.01 1.49 -0.69 0.02 0.00 0.00 177.57 178.40 1q95 s VAL 150 N -5.93 3.06 0.34 2.57 1.01 -1.21 -4.94 120.40 115.30 1q95 s VAL 150 Ca -0.12 0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 1q95 s VAL 150 Cb 0.29 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 33.46 1q95 s VAL 150 CO 0.78 -0.15 0.65 -0.22 0.00 0.00 0.00 175.10 176.15 1q95 s LEU 151 N 11.92 3.96 0.00 3.92 2.96 -1.26 -4.90 118.68 135.28 1q95 s LEU 151 Ca 0.93 0.90 -0.07 0.00 -0.22 0.00 0.00 54.13 55.67 1q95 s LEU 151 Cb -0.16 -3.74 0.14 0.00 0.50 0.00 0.00 46.19 42.93 1q95 s LEU 151 CO 0.24 -0.28 0.88 0.00 -1.32 0.00 0.00 176.35 175.86 1q95 n ALA 152 N -1.09 -0.55 0.00 5.97 0.00 -1.26 -2.09 120.51 121.50 1q95 n ALA 152 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.07 1q95 n ALA 152 Cb 0.54 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1q95 n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79