#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q38 n ARG 2 N 0.00 1.74 0.00 2.12 3.00 -1.26 -5.08 116.66 117.18 1q38 n ARG 2 Ca 0.00 -1.45 0.00 0.00 -0.00 0.00 0.00 57.85 56.40 1q38 n ARG 2 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 32.46 31.06 1q38 n ARG 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1q38 n GLY 3 N 1.23 0.99 0.00 5.14 0.00 -1.26 -4.76 105.19 106.54 1q38 n GLY 3 Ca 0.11 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1q38 n GLY 3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q38 n SER 4 N 0.00 0.00 -3.74 1.61 2.88 -1.26 -5.05 113.62 108.05 1q38 n SER 4 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1q38 n SER 4 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 1q38 n SER 4 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1q38 s ASN 5 N -0.47 4.04 -0.55 -3.46 2.20 -1.26 -5.05 114.94 110.39 1q38 s ASN 5 Ca 0.00 -1.64 -0.02 0.00 -0.94 0.00 0.00 52.86 50.25 1q38 s ASN 5 Cb 0.00 -0.89 0.14 0.00 -2.00 0.00 0.00 41.25 38.50 1q38 s ASN 5 CO 0.00 -0.41 0.35 0.00 -2.94 0.00 0.00 177.10 174.10 1q38 s ALA 6 N 1.60 3.43 0.51 3.54 0.00 -1.26 -5.09 121.76 124.48 1q38 s ALA 6 Ca 0.10 -3.04 -0.19 0.00 0.00 0.00 0.00 51.96 48.82 1q38 s ALA 6 Cb -0.17 -2.54 -0.07 0.00 0.00 0.00 0.00 23.12 20.33 1q38 s ALA 6 CO -0.24 -2.00 1.05 -1.25 0.00 0.00 0.00 175.76 173.31 1q38 s PRO 7 N 0.29 3.69 -1.14 0.00 0.04 -1.26 -4.09 135.00 132.53 1q38 s PRO 7 Ca 0.14 1.36 -0.13 0.00 0.04 0.00 0.00 61.00 62.41 1q38 s PRO 7 Cb -0.21 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 1q38 s PRO 7 CO -0.03 -0.53 0.81 0.94 0.04 0.00 0.00 177.00 178.23 1q38 n GLN 8 N -1.16 -2.06 -3.11 4.56 -0.06 -1.26 -4.97 117.38 109.31 1q38 n GLN 8 Ca 0.09 0.60 -0.34 0.00 -2.00 0.00 0.00 57.00 55.35 1q38 n GLN 8 Cb 0.52 -4.76 -0.06 0.00 -4.06 0.00 0.00 30.24 21.88 1q38 n GLN 8 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1q38 s PRO 9 N -5.54 4.10 0.00 3.69 0.04 -1.26 -4.95 135.00 131.08 1q38 s PRO 9 Ca 0.40 0.75 0.11 0.00 0.04 0.00 0.00 61.00 62.30 1q38 s PRO 9 Cb -0.11 -2.58 0.48 0.00 0.04 0.00 0.00 34.50 32.33 1q38 s PRO 9 CO 0.82 0.23 1.34 0.45 0.04 0.00 0.00 177.00 179.88 1q38 n SER 10 N 0.01 0.00 -3.80 6.66 2.88 -1.26 -4.77 113.62 113.34 1q38 n SER 10 Ca 0.02 0.45 -0.09 0.00 -1.33 0.00 0.00 58.87 57.91 1q38 n SER 10 Cb 0.52 -0.47 -0.04 0.00 -0.75 0.00 0.00 64.21 63.48 1q38 n SER 10 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1q38 s HIS 11 N -2.94 -0.05 0.50 0.66 0.00 -1.26 -5.13 115.29 107.07 1q38 s HIS 11 Ca 0.06 -0.32 -0.20 0.00 -3.00 0.00 0.00 55.06 51.60 1q38 s HIS 11 Cb 0.07 0.42 -0.08 0.00 -4.00 0.00 0.00 32.58 28.99 1q38 s HIS 11 CO 0.20 -0.99 1.07 -1.50 -1.00 0.00 0.00 174.74 172.52 1q38 s ILE 12 N -3.91 3.55 0.23 -5.38 2.07 -1.26 -4.94 121.20 111.56 1q38 s ILE 12 Ca 0.12 0.99 -0.14 0.00 -1.41 0.00 0.00 60.65 60.21 1q38 s ILE 12 Cb -0.02 -3.41 0.28 0.00 0.13 0.00 0.00 42.46 39.44 1q38 s ILE 12 CO 0.01 -0.19 1.60 -1.28 -1.91 0.00 0.00 174.94 173.17 1q38 h SER 13 N 1.52 -0.84 -3.25 4.50 0.87 -1.89 -3.40 113.55 111.07 1q38 h SER 13 Ca -0.50 0.23 0.11 0.00 -1.23 0.00 0.00 61.79 60.41 1q38 h SER 13 Cb 1.23 0.51 -0.27 0.00 -0.44 0.00 0.00 62.40 63.44 1q38 h SER 13 CO 0.59 -0.27 0.62 -1.59 -0.53 0.00 0.00 176.83 175.65 1q38 s LYS 14 N -6.18 0.40 -0.12 2.24 -2.85 -1.05 -4.90 119.74 107.28 1q38 s LYS 14 Ca -0.14 0.30 -0.04 0.00 -1.00 0.00 0.00 55.97 55.09 1q38 s LYS 14 Cb 0.21 0.19 -0.03 0.00 -2.06 0.00 0.00 37.83 36.13 1q38 s LYS 14 CO 0.74 -0.08 0.02 -0.47 0.10 0.00 0.00 175.35 175.66 1q38 s TYR 15 N -0.33 3.21 -0.17 1.78 6.14 -0.97 -2.10 117.35 124.91 1q38 s TYR 15 Ca 0.03 0.15 -0.01 0.00 0.64 0.00 0.00 57.07 57.88 1q38 s TYR 15 Cb -0.03 -1.88 -0.01 0.00 0.42 0.00 0.00 41.96 40.46 1q38 s TYR 15 CO -0.06 0.38 -0.12 0.42 0.64 0.00 0.00 175.55 176.81 1q38 s ILE 16 N -0.50 2.94 -0.33 3.14 1.09 -0.25 -0.80 121.20 126.50 1q38 s ILE 16 Ca 0.09 -0.67 -0.10 0.00 -1.10 0.00 0.00 60.65 58.88 1q38 s ILE 16 Cb -0.12 -2.27 0.01 0.00 -1.06 0.00 0.00 42.46 39.02 1q38 s ILE 16 CO 0.02 0.49 0.16 -0.22 -0.10 0.00 0.00 174.94 175.29 1q38 s LEU 17 N 0.91 4.28 -0.12 2.97 2.96 -0.55 -1.31 118.68 127.81 1q38 s LEU 17 Ca -0.03 -0.72 0.01 0.00 -0.22 0.00 0.00 54.13 53.18 1q38 s LEU 17 Cb -0.15 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 1q38 s LEU 17 CO -0.01 -0.26 -0.16 0.00 -1.32 0.00 0.00 176.35 174.60 1q38 s ARG 18 N 1.57 3.28 0.09 1.98 1.70 -0.81 -2.28 118.95 124.48 1q38 s ARG 18 Ca 0.03 -0.74 -0.17 0.00 -0.47 0.00 0.00 55.73 54.38 1q38 s ARG 18 Cb -0.18 -2.54 0.03 0.00 -0.57 0.00 0.00 34.95 31.70 1q38 s ARG 18 CO 0.06 0.19 0.40 1.67 -1.08 0.00 0.00 175.30 176.53 1q38 s TRP 19 N 0.39 -0.22 0.09 5.89 -2.14 -1.00 -0.70 118.94 121.25 1q38 s TRP 19 Ca -0.13 0.03 -0.25 0.00 2.66 0.00 0.00 56.10 58.41 1q38 s TRP 19 Cb -0.16 0.23 0.07 0.00 -3.10 0.00 0.00 33.47 30.50 1q38 s TRP 19 CO 0.06 -0.64 0.60 -0.98 -2.66 0.00 0.00 176.95 173.34 1q38 s ARG 20 N -3.20 1.19 -0.05 3.25 1.70 -0.07 -1.65 118.95 120.14 1q38 s ARG 20 Ca -0.01 -0.27 -0.30 0.00 -0.47 0.00 0.00 55.73 54.68 1q38 s ARG 20 Cb 0.01 0.55 -0.09 0.00 -0.57 0.00 0.00 34.95 34.85 1q38 s ARG 20 CO -0.08 -0.48 2.02 -2.30 -1.08 0.00 0.00 175.30 173.39 1q38 n PRO 21 N 0.04 2.53 0.06 3.89 -0.02 -1.26 -0.66 135.00 139.57 1q38 n PRO 21 Ca -0.18 0.89 -0.10 0.00 -2.02 0.00 0.00 63.50 62.09 1q38 n PRO 21 Cb 0.62 -2.99 0.02 0.00 -0.02 0.00 0.00 33.50 31.14 1q38 n PRO 21 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1q38 h LYS 22 N 11.37 0.37 0.06 -0.52 3.11 -1.77 -3.30 116.57 125.89 1q38 h LYS 22 Ca -0.47 -0.32 -0.33 0.00 -2.81 0.00 0.00 60.65 56.72 1q38 h LYS 22 Cb 1.25 0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 32.51 1q38 h LYS 22 CO 0.95 0.97 -1.86 -1.71 -2.81 0.00 0.00 179.45 174.99 1q38 n ASN 23 N -3.81 1.43 -1.96 4.20 2.85 -1.26 -4.96 115.26 111.75 1q38 n ASN 23 Ca -0.04 0.31 0.00 0.00 -0.11 0.00 0.00 54.58 54.74 1q38 n ASN 23 Cb 0.73 -0.40 0.00 0.00 1.24 0.00 0.00 39.78 41.35 1q38 n ASN 23 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1q38 n SER 24 N -3.24 0.00 -4.52 1.20 3.41 -1.24 -5.11 113.62 104.13 1q38 n SER 24 Ca -0.24 -0.98 -0.24 0.00 -0.26 0.00 0.00 58.87 57.15 1q38 n SER 24 Cb 1.05 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.89 1q38 n SER 24 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1q38 s VAL 25 N 0.92 1.65 -5.00 -3.33 -7.23 -1.26 -4.63 120.40 101.51 1q38 s VAL 25 Ca 0.00 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 1q38 s VAL 25 Cb 0.00 -2.80 0.00 0.00 0.56 0.00 0.00 36.38 34.14 1q38 s VAL 25 CO 0.00 -0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.33 1q38 n GLY 26 N -0.78 0.32 3.96 2.32 0.00 -1.26 -4.82 105.19 104.92 1q38 n GLY 26 Ca -0.04 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.09 1q38 n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q38 s ARG 27 N -2.00 3.45 1.12 1.61 1.81 -1.26 -4.96 118.95 118.72 1q38 s ARG 27 Ca 0.00 -0.54 -0.19 0.00 -1.72 0.00 0.00 55.73 53.28 1q38 s ARG 27 Cb 0.00 -2.76 0.27 0.00 -0.45 0.00 0.00 34.95 32.01 1q38 s ARG 27 CO 0.00 0.26 1.23 0.91 -0.68 0.00 0.00 175.30 177.02 1q38 n TRP 28 N -1.63 -3.96 -3.71 -0.53 7.02 -1.26 -4.76 117.44 108.62 1q38 n TRP 28 Ca -0.06 -1.10 -0.13 0.00 -1.02 0.00 0.00 57.50 55.19 1q38 n TRP 28 Cb 0.57 -1.10 -0.13 0.00 -2.42 0.00 0.00 31.31 28.22 1q38 n TRP 28 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1q38 s LYS 29 N -5.73 0.18 -0.06 -0.99 -0.14 -0.66 -4.93 119.74 107.41 1q38 s LYS 29 Ca 0.74 0.56 0.06 0.00 -1.36 0.00 0.00 55.97 55.97 1q38 s LYS 29 Cb -0.05 -0.12 -0.01 0.00 -1.68 0.00 0.00 37.83 35.98 1q38 s LYS 29 CO 0.54 -0.19 -0.25 -1.83 -0.76 0.00 0.00 175.35 172.86 1q38 s GLU 30 N 1.53 2.59 -0.02 1.68 -1.05 -1.23 -2.38 118.70 119.82 1q38 s GLU 30 Ca -0.07 -0.89 -0.01 0.00 -0.15 0.00 0.00 54.97 53.86 1q38 s GLU 30 Cb -0.11 -2.15 0.02 0.00 -0.44 0.00 0.00 34.13 31.45 1q38 s GLU 30 CO -0.08 0.34 0.05 0.00 0.95 0.00 0.00 175.26 176.52 1q38 s ALA 31 N -0.07 -0.03 -0.02 -0.84 0.00 -0.97 -4.92 121.76 114.92 1q38 s ALA 31 Ca -0.06 0.30 -0.24 0.00 0.00 0.00 0.00 51.96 51.96 1q38 s ALA 31 Cb -0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1q38 s ALA 31 CO 0.04 -0.09 0.73 0.99 0.00 0.00 0.00 175.76 177.44 1q38 s THR 32 N 0.75 4.91 -0.14 0.00 2.01 -1.25 -1.49 115.64 120.44 1q38 s THR 32 Ca -0.06 1.53 -0.00 0.00 0.31 0.00 0.00 61.69 63.46 1q38 s THR 32 Cb -0.09 -4.07 0.03 0.00 0.01 0.00 0.00 72.50 68.38 1q38 s THR 32 CO -0.03 0.30 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.49 1q38 s ILE 33 N 0.42 1.21 -0.75 1.82 1.09 0.02 -4.94 121.20 120.07 1q38 s ILE 33 Ca 0.38 -0.50 -0.23 0.00 -1.10 0.00 0.00 60.65 59.20 1q38 s ILE 33 Cb -0.19 -1.25 -0.22 0.00 -1.06 0.00 0.00 42.46 39.74 1q38 s ILE 33 CO 0.20 0.31 1.84 -2.65 -0.10 0.00 0.00 174.94 174.54 1q38 n PRO 34 N 4.87 0.06 -0.66 2.79 -0.02 -1.26 -2.30 135.00 138.48 1q38 n PRO 34 Ca -0.13 -1.32 -0.00 0.00 -2.02 0.00 0.00 63.50 60.02 1q38 n PRO 34 Cb 0.49 -3.25 -0.00 0.00 -0.02 0.00 0.00 33.50 30.72 1q38 n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q38 n GLY 35 N 5.67 0.05 1.61 -1.23 0.00 -1.26 -3.72 105.19 106.31 1q38 n GLY 35 Ca 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.36 1q38 n GLY 35 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1q38 n HIS 36 N -1.30 -1.26 -0.02 1.61 -0.00 -1.23 -4.91 115.22 108.12 1q38 n HIS 36 Ca -0.00 0.74 -0.03 0.00 0.46 0.00 0.00 57.72 58.89 1q38 n HIS 36 Cb 0.32 -2.30 0.22 0.00 -0.12 0.00 0.00 29.99 28.11 1q38 n HIS 36 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1q38 h LEU 37 N 1.12 0.56 0.00 0.27 4.07 -1.93 -3.47 115.31 115.94 1q38 h LEU 37 Ca -0.09 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1q38 h LEU 37 Cb 0.21 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1q38 h LEU 37 CO 0.00 0.71 0.00 -3.20 -1.08 0.00 0.00 178.44 174.87 1q38 n ASN 38 N -4.19 0.00 -3.92 -0.43 5.15 -1.26 -5.11 115.26 105.50 1q38 n ASN 38 Ca 0.01 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.70 1q38 n ASN 38 Cb 0.33 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.42 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1q38 s SER 39 N 0.00 2.81 -0.23 1.20 0.15 -1.26 -5.10 113.70 111.27 1q38 s SER 39 Ca 0.00 -0.63 -0.00 0.00 0.70 0.00 0.00 55.95 56.02 1q38 s SER 39 Cb 0.00 -0.98 0.06 0.00 -1.71 0.00 0.00 66.02 63.39 1q38 s SER 39 CO 0.00 -0.15 -0.02 -0.47 1.20 0.00 0.00 173.24 173.79 1q38 s TYR 40 N 1.59 2.05 0.06 3.44 6.14 -1.26 -5.12 117.35 124.25 1q38 s TYR 40 Ca 0.01 -1.55 0.08 0.00 0.64 0.00 0.00 57.07 56.26 1q38 s TYR 40 Cb -0.15 -1.46 -0.03 0.00 0.42 0.00 0.00 41.96 40.74 1q38 s TYR 40 CO -0.08 -0.74 -0.19 0.99 0.64 0.00 0.00 175.55 176.17 1q38 s THR 41 N 1.51 2.72 -0.11 4.34 2.01 -1.26 -5.12 115.64 119.73 1q38 s THR 41 Ca -0.04 -1.29 -0.13 0.00 0.31 0.00 0.00 61.69 60.54 1q38 s THR 41 Cb -0.18 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.12 1q38 s THR 41 CO -0.07 0.28 0.30 -0.63 -0.69 0.00 0.00 174.62 173.81 1q38 s ILE 42 N -0.96 5.27 0.43 1.82 1.01 -1.26 -5.10 121.20 122.41 1q38 s ILE 42 Ca 0.15 0.57 0.07 0.00 0.00 0.00 0.00 60.65 61.44 1q38 s ILE 42 Cb -0.10 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 1q38 s ILE 42 CO 0.06 0.49 0.34 -0.54 0.00 0.00 0.00 174.94 175.29 1q38 s LYS 43 N -0.24 2.43 0.00 2.79 -0.14 -1.26 -4.82 119.74 118.50 1q38 s LYS 43 Ca 0.18 -1.67 0.00 0.00 -1.36 0.00 0.00 55.97 53.13 1q38 s LYS 43 Cb -0.14 -2.26 0.00 0.00 -1.68 0.00 0.00 37.83 33.75 1q38 s LYS 43 CO 0.07 -0.24 0.00 0.41 -0.76 0.00 0.00 175.35 174.83 1q38 n GLY 44 N -1.52 0.57 0.00 -3.33 0.00 -1.26 -5.08 105.19 94.58 1q38 n GLY 44 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1q38 n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q38 n LEU 45 N -0.68 0.00 -3.57 0.99 4.77 -1.26 -4.60 117.00 112.65 1q38 n LEU 45 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 1q38 n LEU 45 Cb 0.38 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.41 1q38 n LEU 45 CO 0.00 0.00 0.41 -1.59 -1.33 0.00 0.00 177.39 174.88 1q38 s LYS 46 N -1.80 0.96 0.02 3.23 0.00 0.52 -4.83 119.74 117.83 1q38 s LYS 46 Ca 0.00 0.50 -0.30 0.00 0.00 0.00 0.00 55.97 56.17 1q38 s LYS 46 Cb 0.00 0.46 -0.07 0.00 0.00 0.00 0.00 37.83 38.22 1q38 s LYS 46 CO 0.00 -0.24 1.66 -1.25 0.00 0.00 0.00 175.35 175.52 1q38 s PRO 47 N -0.64 4.19 0.00 1.78 0.04 -1.26 0.83 135.00 139.94 1q38 s PRO 47 Ca -0.07 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1q38 s PRO 47 Cb -0.02 -3.77 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1q38 s PRO 47 CO 0.07 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.74 1q38 n GLY 48 N 4.06 0.21 3.26 0.56 0.00 -1.26 -4.86 105.19 107.17 1q38 n GLY 48 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1q38 n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q38 s VAL 49 N -0.97 2.34 0.29 1.61 1.01 -1.25 -4.85 120.40 118.57 1q38 s VAL 49 Ca 0.00 -0.92 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 1q38 s VAL 49 Cb 0.00 -1.92 -0.09 0.00 0.00 0.00 0.00 36.38 34.37 1q38 s VAL 49 CO 0.00 0.55 0.83 -0.69 0.00 0.00 0.00 175.10 175.79 1q38 s VAL 50 N 0.32 4.42 0.16 2.92 1.01 -1.26 -0.48 120.40 127.50 1q38 s VAL 50 Ca -0.16 1.48 -0.06 0.00 0.00 0.00 0.00 61.98 63.24 1q38 s VAL 50 Cb -0.17 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1q38 s VAL 50 CO 0.08 0.11 0.23 -0.31 0.00 0.00 0.00 175.10 175.20 1q38 s TYR 51 N -1.65 0.59 -0.05 5.22 2.02 0.52 -3.92 117.35 120.07 1q38 s TYR 51 Ca 0.48 -0.94 0.01 0.00 -0.37 0.00 0.00 57.07 56.25 1q38 s TYR 51 Cb -0.16 -0.19 0.02 0.00 -0.40 0.00 0.00 41.96 41.22 1q38 s TYR 51 CO 0.21 -0.68 -0.06 -2.00 -1.57 0.00 0.00 175.55 171.45 1q38 s GLU 52 N -4.01 1.00 -0.00 -0.62 2.56 0.16 -1.42 118.70 116.37 1q38 s GLU 52 Ca 0.21 -0.15 0.02 0.00 0.00 0.00 0.00 54.97 55.05 1q38 s GLU 52 Cb 0.04 -0.98 -0.00 0.00 2.00 0.00 0.00 34.13 35.19 1q38 s GLU 52 CO 0.02 -0.08 -0.06 0.20 -0.56 0.00 0.00 175.26 174.78 1q38 s GLY 53 N 0.97 0.28 -0.04 -1.50 0.00 0.44 -0.89 107.32 106.57 1q38 s GLY 53 Ca -0.10 -0.24 0.02 0.00 0.00 0.00 0.00 44.72 44.40 1q38 s GLY 53 CO 0.00 -0.19 -0.06 -0.86 0.00 0.00 0.00 173.10 171.99 1q38 s GLN 54 N -0.12 0.92 -0.41 2.90 -2.07 0.12 -0.12 119.66 120.88 1q38 s GLN 54 Ca 0.02 -0.18 -0.15 0.00 -1.82 0.00 0.00 55.36 53.23 1q38 s GLN 54 Cb -0.02 -0.87 0.02 0.00 -1.09 0.00 0.00 33.01 31.05 1q38 s GLN 54 CO -0.00 -0.02 0.31 -0.51 -1.32 0.00 0.00 175.29 173.74 1q38 s LEU 55 N 0.67 5.11 -0.29 2.60 1.43 -0.74 -1.93 118.68 125.53 1q38 s LEU 55 Ca -0.10 -0.90 -0.07 0.00 -1.03 0.00 0.00 54.13 52.03 1q38 s LEU 55 Cb -0.13 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1q38 s LEU 55 CO 0.01 -0.46 0.08 -0.63 0.23 0.00 0.00 176.35 175.58 1q38 s ILE 56 N 1.69 3.99 -0.23 -0.59 1.09 -0.43 -2.91 121.20 123.82 1q38 s ILE 56 Ca 0.05 -0.64 -0.21 0.00 -1.10 0.00 0.00 60.65 58.76 1q38 s ILE 56 Cb -0.19 -3.04 -0.02 0.00 -1.06 0.00 0.00 42.46 38.15 1q38 s ILE 56 CO 0.10 0.11 0.64 -0.94 -0.10 0.00 0.00 174.94 174.75 1q38 s SER 57 N 1.51 6.64 -0.28 3.58 1.04 0.08 -1.09 113.70 125.19 1q38 s SER 57 Ca 0.03 0.79 -0.03 0.00 0.48 0.00 0.00 55.95 57.22 1q38 s SER 57 Cb -0.17 -2.35 0.03 0.00 0.10 0.00 0.00 66.02 63.63 1q38 s SER 57 CO 0.02 -0.33 -0.01 -0.63 0.98 0.00 0.00 173.24 173.28 1q38 s ILE 58 N 2.24 3.17 0.52 -1.02 1.01 -0.89 -1.13 121.20 125.10 1q38 s ILE 58 Ca 0.28 -1.06 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 1q38 s ILE 58 Cb -0.16 -2.68 0.11 0.00 0.01 0.00 0.00 42.46 39.74 1q38 s ILE 58 CO 0.09 0.07 0.71 1.67 0.00 0.00 0.00 174.94 177.49 1q38 n GLN 59 N 4.70 -0.11 0.28 2.79 7.27 -0.04 -2.54 117.38 129.73 1q38 n GLN 59 Ca -0.15 -1.68 0.19 0.00 0.07 0.00 0.00 57.00 55.43 1q38 n GLN 59 Cb 0.46 -0.55 0.98 0.00 2.41 0.00 0.00 30.24 33.53 1q38 n GLN 59 CO 0.00 0.00 0.00 -0.56 0.07 0.00 0.00 177.06 176.57 1q38 h GLN 60 N 0.00 0.00 -0.01 3.69 3.07 -1.96 -0.17 115.11 119.73 1q38 h GLN 60 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.51 1q38 h GLN 60 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.36 1q38 h GLN 60 CO 0.23 0.00 -0.40 2.48 0.09 0.00 0.00 178.83 181.23 1q38 n TYR 61 N -2.81 0.00 0.00 0.06 4.11 -1.26 -5.09 117.16 112.17 1q38 n TYR 61 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.88 1q38 n TYR 61 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.42 1q38 n TYR 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1q38 n GLY 62 N 1.27 0.79 3.42 -7.48 0.00 -0.08 -5.08 105.19 98.04 1q38 n GLY 62 Ca 0.08 -2.29 -0.33 0.00 0.00 0.00 0.00 46.02 43.48 1q38 n GLY 62 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1q38 n HIS 63 N -0.77 -1.25 -0.98 1.61 1.44 -1.26 -0.86 115.22 113.15 1q38 n HIS 63 Ca 0.00 0.23 0.00 0.00 -2.01 0.00 0.00 57.72 55.94 1q38 n HIS 63 Cb 0.00 -1.77 0.00 0.00 0.12 0.00 0.00 29.99 28.34 1q38 n HIS 63 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1q38 n GLN 64 N -2.04 0.00 -3.61 -1.40 10.64 -0.28 -4.76 117.38 115.94 1q38 n GLN 64 Ca 0.06 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 55.08 1q38 n GLN 64 Cb 0.54 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.79 1q38 n GLN 64 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1q38 s GLU 65 N 0.00 0.13 -0.07 2.61 2.12 -1.20 -4.95 118.70 117.34 1q38 s GLU 65 Ca 0.00 0.53 -0.00 0.00 0.36 0.00 0.00 54.97 55.85 1q38 s GLU 65 Cb 0.00 -0.47 0.03 0.00 0.26 0.00 0.00 34.13 33.95 1q38 s GLU 65 CO 0.00 -0.41 -0.03 0.08 -0.54 0.00 0.00 175.26 174.36 1q38 s VAL 66 N 2.36 0.53 -0.05 3.70 1.01 -1.25 -0.74 120.40 125.94 1q38 s VAL 66 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 1q38 s VAL 66 Cb -0.13 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.66 1q38 s VAL 66 CO -0.09 0.27 0.02 -0.89 0.00 0.00 0.00 175.10 174.40 1q38 s THR 67 N 1.58 0.20 -0.10 3.92 2.01 -1.15 -4.98 115.64 117.12 1q38 s THR 67 Ca -0.00 0.21 -0.10 0.00 0.31 0.00 0.00 61.69 62.11 1q38 s THR 67 Cb -0.13 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 71.96 1q38 s THR 67 CO -0.04 0.22 0.22 -0.13 -0.69 0.00 0.00 174.62 174.20 1q38 s ARG 68 N 1.86 3.66 -0.24 4.92 3.00 -1.26 -1.79 118.95 129.10 1q38 s ARG 68 Ca 0.02 0.02 -0.12 0.00 0.00 0.00 0.00 55.73 55.65 1q38 s ARG 68 Cb -0.12 -3.23 0.08 0.00 0.00 0.00 0.00 34.95 31.68 1q38 s ARG 68 CO -0.04 0.69 0.56 -0.59 0.00 0.00 0.00 175.30 175.93 1q38 s PHE 69 N -0.86 -0.94 -0.06 -0.53 -0.12 0.83 -4.99 117.98 111.30 1q38 s PHE 69 Ca 0.17 1.83 -0.13 0.00 -0.05 0.00 0.00 56.93 58.76 1q38 s PHE 69 Cb -0.13 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.72 1q38 s PHE 69 CO 0.06 -0.49 0.32 0.16 -0.05 0.00 0.00 175.22 175.22 1q38 s ASP 70 N 1.93 6.64 0.02 1.98 -4.77 -1.26 -0.42 116.67 120.78 1q38 s ASP 70 Ca -0.08 0.76 0.00 0.00 -3.30 0.00 0.00 52.55 49.93 1q38 s ASP 70 Cb -0.08 -2.20 -0.02 0.00 -1.09 0.00 0.00 42.92 39.53 1q38 s ASP 70 CO -0.17 0.30 -0.03 0.72 0.70 0.00 0.00 175.17 176.69 1q38 s PHE 71 N -0.74 0.27 0.41 2.11 -0.71 -0.51 -4.96 117.98 113.85 1q38 s PHE 71 Ca 0.20 -0.48 0.08 0.00 -1.04 0.00 0.00 56.93 55.69 1q38 s PHE 71 Cb -0.15 -0.19 -0.01 0.00 -1.21 0.00 0.00 43.02 41.46 1q38 s PHE 71 CO 0.09 -0.16 0.46 0.95 -1.34 0.00 0.00 175.22 175.21 1q38 s THR 72 N -1.33 2.93 -0.05 -4.49 -4.23 -1.26 -0.36 115.64 106.86 1q38 s THR 72 Ca -0.14 -1.19 -0.00 0.00 -1.18 0.00 0.00 61.69 59.18 1q38 s THR 72 Cb -0.09 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.72 1q38 s THR 72 CO -0.01 -0.02 0.01 0.41 -0.54 0.00 0.00 174.62 174.47 1q38 n THR 73 N -1.67 -3.77 -1.94 3.99 -1.04 0.37 -4.91 114.28 105.32 1q38 n THR 73 Ca 0.05 0.32 0.00 0.00 -2.04 0.00 0.00 64.05 62.38 1q38 n THR 73 Cb 0.60 -4.40 0.00 0.00 -1.82 0.00 0.00 70.33 64.72 1q38 n THR 73 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1q38 n THR 74 N 0.14 0.00 -4.71 12.58 -2.24 0.24 -4.73 114.28 115.56 1q38 n THR 74 Ca -0.01 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.46 1q38 n THR 74 Cb 0.02 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.18 1q38 n THR 74 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1q38 n SER 75 N 0.00 3.32 -0.06 3.42 3.41 -1.26 -0.36 113.62 122.09 1q38 n SER 75 Ca 0.00 -3.10 -0.03 0.00 -0.26 0.00 0.00 58.87 55.48 1q38 n SER 75 Cb 0.00 0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 64.27 1q38 n SER 75 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1q38 h THR 76 N 1.25 0.09 -4.17 6.66 1.35 -1.96 -3.47 112.91 112.66 1q38 h THR 76 Ca -0.40 -1.09 -0.25 0.00 -0.55 0.00 0.00 66.41 64.12 1q38 h THR 76 Cb 1.20 0.19 -0.09 0.00 -1.73 0.00 0.00 68.15 67.72 1q38 h THR 76 CO 0.66 0.03 -0.25 -0.94 -0.25 0.00 0.00 175.52 174.77 1q38 s SER 77 N -5.71 0.73 -0.44 5.36 1.04 -1.26 -4.71 113.70 108.72 1q38 s SER 77 Ca -0.09 -1.41 0.07 0.00 0.48 0.00 0.00 55.95 55.00 1q38 s SER 77 Cb 0.01 0.61 0.23 0.00 0.10 0.00 0.00 66.02 66.97 1q38 s SER 77 CO 0.15 -1.20 0.51 0.41 0.98 0.00 0.00 173.24 174.08 1q38 n THR 78 N -0.51 -0.36 -0.20 2.02 -1.04 -1.26 -4.97 114.28 107.98 1q38 n THR 78 Ca 0.01 -4.06 0.19 0.00 -2.04 0.00 0.00 64.05 58.15 1q38 n THR 78 Cb 0.62 -1.92 0.55 0.00 -1.82 0.00 0.00 70.33 67.76 1q38 n THR 78 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1q38 h PRO 79 N 4.43 0.32 -6.43 -2.82 0.11 -2.02 -3.37 132.00 122.23 1q38 h PRO 79 Ca 0.13 -0.02 -0.54 0.00 0.11 0.00 0.00 66.00 65.68 1q38 h PRO 79 Cb 0.86 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 31.82 1q38 h PRO 79 CO 0.50 0.21 1.04 0.20 -0.21 0.00 0.00 178.00 179.74 1q38 s GLY 80 N -3.85 0.96 0.04 -0.55 0.00 -1.26 -4.97 107.32 97.68 1q38 s GLY 80 Ca -0.07 -1.13 -0.07 0.00 0.00 0.00 0.00 44.72 43.44 1q38 s GLY 80 CO 0.77 2.62 0.14 -0.45 0.00 0.00 0.00 173.10 176.19 1q38 s SER 81 N 3.58 0.11 0.71 1.64 0.15 -1.26 -5.04 113.70 113.58 1q38 s SER 81 Ca 0.39 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1q38 s SER 81 Cb -0.08 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1q38 s SER 81 CO 0.19 -0.53 0.00 0.54 1.20 0.00 0.00 173.24 174.64 1q38 n ARG 82 N 0.74 0.00 -1.14 5.44 1.74 -1.26 -4.75 116.66 117.43 1q38 n ARG 82 Ca -0.19 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.83 1q38 n ARG 82 Cb 0.59 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.00 1q38 n ARG 82 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1q38 n SER 83 N 6.49 -5.44 -3.20 0.55 7.64 -1.26 -2.24 113.62 116.16 1q38 n SER 83 Ca 0.00 0.16 -0.22 0.00 1.01 0.00 0.00 58.87 59.82 1q38 n SER 83 Cb 0.00 -3.72 0.00 0.00 -1.01 0.00 0.00 64.21 59.49 1q38 n SER 83 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1q38 n HIS 84 N -2.00 -1.78 -2.80 1.43 8.25 -1.26 -3.38 115.22 113.67 1q38 n HIS 84 Ca -0.06 0.43 -0.03 0.00 -0.26 0.00 0.00 57.72 57.79 1q38 n HIS 84 Cb 0.52 -3.19 0.00 0.00 1.12 0.00 0.00 29.99 28.45 1q38 n HIS 84 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1q38 n HIS 85 N -3.97 -3.64 -2.26 4.41 8.25 -0.95 -4.98 115.22 112.08 1q38 n HIS 85 Ca -0.05 1.57 -0.15 0.00 -0.26 0.00 0.00 57.72 58.83 1q38 n HIS 85 Cb 0.56 -3.85 0.04 0.00 1.12 0.00 0.00 29.99 27.85 1q38 n HIS 85 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1q38 n HIS 86 N 0.40 2.16 -3.92 4.41 -0.00 -1.22 -5.06 115.22 112.00 1q38 n HIS 86 Ca 0.03 -2.14 -0.10 0.00 0.46 0.00 0.00 57.72 55.98 1q38 n HIS 86 Cb 0.18 -0.30 -0.06 0.00 -0.12 0.00 0.00 29.99 29.69 1q38 n HIS 86 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1q38 s HIS 87 N -3.59 0.29 0.21 1.57 -3.43 -1.26 -5.17 115.29 103.91 1q38 s HIS 87 Ca 0.43 -0.65 0.06 0.00 -0.80 0.00 0.00 55.06 54.11 1q38 s HIS 87 Cb 0.38 0.07 -0.04 0.00 -1.43 0.00 0.00 32.58 31.56 1q38 s HIS 87 CO 0.01 -0.80 0.16 -1.01 -2.00 0.00 0.00 174.74 171.09 1q38 s HIS 88 N -3.96 3.11 -2.00 0.38 3.76 -1.26 -5.24 115.29 110.08 1q38 s HIS 88 Ca 0.16 -0.08 0.06 0.00 -0.15 0.00 0.00 55.06 55.06 1q38 s HIS 88 Cb 0.02 -1.44 0.37 0.00 1.11 0.00 0.00 32.58 32.63 1q38 s HIS 88 CO 0.01 0.52 0.83 1.58 -0.85 0.00 0.00 174.74 176.83