#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q38 s ARG 2 N 0.00 0.43 0.00 0.03 1.70 -1.26 -5.08 118.95 114.77 1q38 s ARG 2 Ca 0.00 0.66 0.00 0.00 -0.47 0.00 0.00 55.73 55.92 1q38 s ARG 2 Cb 0.00 0.11 0.00 0.00 -0.57 0.00 0.00 34.95 34.49 1q38 s ARG 2 CO 0.00 -0.10 0.00 0.41 -1.08 0.00 0.00 175.30 174.53 1q38 n GLY 3 N 3.48 -1.03 2.89 3.88 0.00 -1.26 -5.09 105.19 108.06 1q38 n GLY 3 Ca -0.18 0.38 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 -7.64 -4.57 1.61 2.88 -1.26 -4.95 113.62 99.69 1q38 n SER 4 Ca 0.00 0.83 -0.30 0.00 -1.33 0.00 0.00 58.87 58.07 1q38 n SER 4 Cb 0.00 -4.67 0.21 0.00 -0.75 0.00 0.00 64.21 59.00 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 -1.96 1.83 0.19 -3.46 2.20 -1.26 -4.91 114.94 107.57 1q38 s ASN 5 Ca 0.14 1.86 -0.31 0.00 -0.94 0.00 0.00 52.86 53.61 1q38 s ASN 5 Cb -0.03 -2.45 -0.10 0.00 -2.00 0.00 0.00 41.25 36.67 1q38 s ASN 5 CO 0.72 -3.73 1.53 0.00 -2.94 0.00 0.00 177.10 172.68 1q38 s ALA 6 N -2.53 3.73 -0.06 3.54 0.00 -1.26 -4.93 121.76 120.26 1q38 s ALA 6 Ca 0.68 1.36 -0.30 0.00 0.00 0.00 0.00 51.96 53.70 1q38 s ALA 6 Cb -0.24 -3.60 -0.06 0.00 0.00 0.00 0.00 23.12 19.22 1q38 s ALA 6 CO 0.62 -0.77 1.72 -2.14 0.00 0.00 0.00 175.76 175.18 1q38 s PRO 7 N 0.70 4.11 -0.24 0.00 0.02 -1.26 -4.98 135.00 133.35 1q38 s PRO 7 Ca 0.67 2.21 -0.26 0.00 0.02 0.00 0.00 61.00 63.65 1q38 s PRO 7 Cb -0.43 -4.03 0.08 0.00 0.02 0.00 0.00 34.50 30.14 1q38 s PRO 7 CO 0.35 -0.94 0.79 -0.65 -0.33 0.00 0.00 177.00 176.22 1q38 s GLN 8 N 4.23 0.79 1.23 5.54 -0.21 -1.26 -5.17 119.66 124.80 1q38 s GLN 8 Ca 0.77 0.80 -0.15 0.00 0.02 0.00 0.00 55.36 56.79 1q38 s GLN 8 Cb -0.34 0.38 0.29 0.00 1.00 0.00 0.00 33.01 34.34 1q38 s GLN 8 CO 0.32 -0.12 0.87 -2.30 -2.12 0.00 0.00 175.29 171.93 1q38 n PRO 9 N 2.31 -2.89 0.15 2.91 -0.02 -1.26 -5.01 135.00 131.19 1q38 n PRO 9 Ca -0.14 -0.82 0.00 0.00 -2.02 0.00 0.00 63.50 60.51 1q38 n PRO 9 Cb 0.56 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1q38 n PRO 9 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1q38 n SER 10 N -4.74 -1.21 -2.47 2.55 3.41 -1.26 -5.12 113.62 104.77 1q38 n SER 10 Ca 0.03 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1q38 n SER 10 Cb 0.56 1.29 0.00 0.00 -0.26 0.00 0.00 64.21 65.80 1q38 n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q38 n HIS 11 N -3.32 0.00 -1.57 7.33 1.44 -1.26 -4.88 115.22 112.95 1q38 n HIS 11 Ca 0.00 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.38 1q38 n HIS 11 Cb 0.00 -0.75 0.07 0.00 0.12 0.00 0.00 29.99 29.43 1q38 n HIS 11 CO 0.00 0.00 0.00 -1.50 -2.81 0.00 0.00 176.34 172.03 1q38 s ILE 12 N -0.56 2.97 0.31 0.61 2.07 -1.26 -4.84 121.20 120.49 1q38 s ILE 12 Ca 0.00 0.43 0.04 0.00 -1.41 0.00 0.00 60.65 59.72 1q38 s ILE 12 Cb 0.00 -2.93 0.30 0.00 0.13 0.00 0.00 42.46 39.95 1q38 s ILE 12 CO 0.00 -0.30 1.84 0.28 -1.91 0.00 0.00 174.94 174.85 1q38 h SER 13 N -0.27 0.83 -4.46 4.50 0.02 -1.90 -2.76 113.55 109.50 1q38 h SER 13 Ca -0.46 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.47 1q38 h SER 13 Cb 1.26 -0.11 -0.21 0.00 0.14 0.00 0.00 62.40 63.48 1q38 h SER 13 CO 0.52 0.42 0.03 -1.59 -1.14 0.00 0.00 176.83 175.07 1q38 s LYS 14 N -5.85 0.83 -0.10 3.45 -2.85 -0.81 -4.24 119.74 110.17 1q38 s LYS 14 Ca -0.11 0.51 0.02 0.00 -1.00 0.00 0.00 55.97 55.39 1q38 s LYS 14 Cb 0.22 0.40 0.01 0.00 -2.06 0.00 0.00 37.83 36.40 1q38 s LYS 14 CO 0.80 -0.18 -0.15 -0.47 0.10 0.00 0.00 175.35 175.44 1q38 s TYR 15 N -0.42 1.95 -0.09 1.78 6.14 -0.89 -1.70 117.35 124.11 1q38 s TYR 15 Ca -0.06 -0.88 0.01 0.00 0.64 0.00 0.00 57.07 56.78 1q38 s TYR 15 Cb -0.03 -1.40 -0.02 0.00 0.42 0.00 0.00 41.96 40.93 1q38 s TYR 15 CO 0.04 -0.45 -0.11 0.42 0.64 0.00 0.00 175.55 176.10 1q38 s ILE 16 N 0.90 3.33 -0.31 3.14 1.01 -0.28 0.50 121.20 129.50 1q38 s ILE 16 Ca -0.09 -0.60 -0.09 0.00 0.00 0.00 0.00 60.65 59.88 1q38 s ILE 16 Cb -0.15 -2.37 -0.00 0.00 0.01 0.00 0.00 42.46 39.95 1q38 s ILE 16 CO -0.00 0.56 0.13 -0.22 0.00 0.00 0.00 174.94 175.41 1q38 s LEU 17 N -0.26 4.04 -0.11 2.97 2.96 0.13 -1.89 118.68 126.51 1q38 s LEU 17 Ca 0.02 -0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 53.33 1q38 s LEU 17 Cb -0.13 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1q38 s LEU 17 CO 0.03 -0.20 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.67 1q38 s ARG 18 N 1.58 3.23 -0.06 1.98 1.81 0.16 -1.22 118.95 126.43 1q38 s ARG 18 Ca 0.04 -0.54 -0.31 0.00 -1.72 0.00 0.00 55.73 53.20 1q38 s ARG 18 Cb -0.17 -2.75 0.08 0.00 -0.45 0.00 0.00 34.95 31.66 1q38 s ARG 18 CO 0.05 0.44 0.73 1.67 -0.68 0.00 0.00 175.30 177.50 1q38 s TRP 19 N -0.18 -0.61 0.01 -0.53 -2.14 -0.99 0.62 118.94 115.12 1q38 s TRP 19 Ca 0.03 1.02 -0.28 0.00 2.66 0.00 0.00 56.10 59.52 1q38 s TRP 19 Cb -0.13 0.42 0.07 0.00 -3.10 0.00 0.00 33.47 30.73 1q38 s TRP 19 CO 0.03 -0.58 0.64 -0.98 -2.66 0.00 0.00 176.95 173.40 1q38 s ARG 20 N -1.29 1.10 -0.06 3.25 1.04 0.38 -1.23 118.95 122.14 1q38 s ARG 20 Ca -0.09 0.03 -0.31 0.00 -1.04 0.00 0.00 55.73 54.33 1q38 s ARG 20 Cb -0.00 0.51 -0.09 0.00 -2.04 0.00 0.00 34.95 33.34 1q38 s ARG 20 CO 0.08 -0.38 2.03 -2.30 -0.04 0.00 0.00 175.30 174.68 1q38 n PRO 21 N 0.57 2.45 0.06 3.89 -0.02 -1.26 -0.62 135.00 140.07 1q38 n PRO 21 Ca -0.19 0.85 -0.02 0.00 -2.02 0.00 0.00 63.50 62.12 1q38 n PRO 21 Cb 0.59 -2.98 0.23 0.00 -0.02 0.00 0.00 33.50 31.32 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 11.52 0.35 0.06 -0.52 3.64 -1.43 -3.28 116.57 126.90 1q38 h LYS 22 Ca -0.47 -0.14 -0.34 0.00 -1.27 0.00 0.00 60.65 58.43 1q38 h LYS 22 Cb 1.25 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 1q38 h LYS 22 CO 0.95 0.63 -1.92 -1.71 -2.27 0.00 0.00 179.45 175.14 1q38 n ASN 23 N -4.09 2.02 -1.46 4.20 4.05 -1.22 -4.99 115.26 113.78 1q38 n ASN 23 Ca -0.01 0.23 0.00 0.00 0.45 0.00 0.00 54.58 55.25 1q38 n ASN 23 Cb 0.43 -0.83 0.00 0.00 1.23 0.00 0.00 39.78 40.62 1q38 n ASN 23 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1q38 n SER 24 N -3.78 0.00 -4.27 1.20 2.88 -1.24 -5.12 113.62 103.29 1q38 n SER 24 Ca -0.36 -0.49 -0.15 0.00 -1.33 0.00 0.00 58.87 56.54 1q38 n SER 24 Cb 0.92 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.28 1q38 n SER 24 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1q38 s VAL 25 N 0.89 0.97 0.00 2.46 -7.23 -1.26 -4.59 120.40 111.63 1q38 s VAL 25 Ca 0.00 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1q38 s VAL 25 Cb 0.00 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.86 1q38 s VAL 25 CO 0.00 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 174.87 1q38 n GLY 26 N -0.28 0.00 1.59 2.32 0.00 -1.26 -4.88 105.19 102.69 1q38 n GLY 26 Ca -0.08 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.13 1q38 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q38 n ARG 27 N 0.00 -2.81 -2.40 1.61 1.74 -1.26 -4.91 116.66 108.62 1q38 n ARG 27 Ca 0.00 1.85 -0.21 0.00 -0.77 0.00 0.00 57.85 58.73 1q38 n ARG 27 Cb 0.00 -3.43 0.11 0.00 -1.02 0.00 0.00 32.46 28.11 1q38 n ARG 27 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1q38 n TRP 28 N -4.15 -2.95 -3.83 -1.55 7.02 -1.26 -4.53 117.44 106.18 1q38 n TRP 28 Ca 0.01 -1.61 -0.12 0.00 -1.02 0.00 0.00 57.50 54.75 1q38 n TRP 28 Cb 0.64 -0.65 -0.12 0.00 -2.42 0.00 0.00 31.31 28.75 1q38 n TRP 28 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1q38 s LYS 29 N -4.84 0.20 -0.07 -0.99 2.20 -0.37 -4.91 119.74 110.98 1q38 s LYS 29 Ca 0.60 0.10 0.05 0.00 -0.36 0.00 0.00 55.97 56.37 1q38 s LYS 29 Cb -0.03 0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.37 1q38 s LYS 29 CO 0.40 -0.03 -0.25 -1.21 -0.36 0.00 0.00 175.35 173.90 1q38 s GLU 30 N -0.14 2.69 -0.19 4.03 2.02 -1.22 -2.34 118.70 123.56 1q38 s GLU 30 Ca -0.02 -0.89 -0.02 0.00 0.02 0.00 0.00 54.97 54.05 1q38 s GLU 30 Cb -0.02 -2.19 0.06 0.00 0.10 0.00 0.00 34.13 32.08 1q38 s GLU 30 CO 0.00 0.32 0.03 0.00 0.02 0.00 0.00 175.26 175.63 1q38 s ALA 31 N -0.00 1.05 0.04 5.21 0.00 -0.36 -4.85 121.76 122.84 1q38 s ALA 31 Ca -0.08 -0.70 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 1q38 s ALA 31 Cb -0.15 -1.16 -0.06 0.00 0.00 0.00 0.00 23.12 21.74 1q38 s ALA 31 CO 0.05 -1.12 0.50 0.99 0.00 0.00 0.00 175.76 176.19 1q38 s THR 32 N 1.83 4.87 -0.21 0.00 2.01 -1.25 0.19 115.64 123.09 1q38 s THR 32 Ca -0.01 1.06 -0.05 0.00 0.31 0.00 0.00 61.69 63.01 1q38 s THR 32 Cb -0.17 -3.82 0.07 0.00 0.01 0.00 0.00 72.50 68.59 1q38 s THR 32 CO -0.08 0.55 0.11 0.27 -0.69 0.00 0.00 174.62 174.79 1q38 s ILE 33 N -1.02 -0.09 -0.79 1.82 -4.36 0.18 -4.93 121.20 112.01 1q38 s ILE 33 Ca 0.27 -0.34 -0.26 0.00 -0.26 0.00 0.00 60.65 60.06 1q38 s ILE 33 Cb -0.18 -0.70 -0.14 0.00 1.25 0.00 0.00 42.46 42.69 1q38 s ILE 33 CO 0.16 -0.41 2.41 -2.16 0.24 0.00 0.00 174.94 175.18 1q38 s PRO 34 N 2.14 1.61 -1.47 0.37 0.04 -1.26 -2.10 135.00 134.33 1q38 s PRO 34 Ca 0.04 0.50 -0.09 0.00 0.04 0.00 0.00 61.00 61.49 1q38 s PRO 34 Cb -0.16 -4.78 0.06 0.00 0.04 0.00 0.00 34.50 29.66 1q38 s PRO 34 CO -0.18 -4.43 0.85 0.41 0.04 0.00 0.00 177.00 173.70 1q38 n GLY 35 N 6.80 -0.41 2.83 0.56 0.00 -1.04 -3.62 105.19 110.30 1q38 n GLY 35 Ca 0.47 0.17 -0.05 0.00 0.00 0.00 0.00 46.02 46.61 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 -4.53 -3.54 0.07 1.61 -0.00 -1.19 -4.88 115.22 102.76 1q38 n HIS 36 Ca -0.08 1.51 -0.11 0.00 0.46 0.00 0.00 57.72 59.51 1q38 n HIS 36 Cb 0.58 -3.78 -0.13 0.00 -0.12 0.00 0.00 29.99 26.54 1q38 n HIS 36 CO 0.00 0.00 0.00 1.37 0.46 0.00 0.00 176.34 178.17 1q38 h LEU 37 N 2.67 0.16 0.00 0.27 -0.00 -1.84 -3.49 115.31 113.08 1q38 h LEU 37 Ca -0.02 -0.18 0.01 0.00 -0.00 0.00 0.00 57.88 57.69 1q38 h LEU 37 Cb 0.49 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 41.09 1q38 h LEU 37 CO 0.14 1.14 0.05 -0.46 -0.00 0.00 0.00 178.44 179.31 1q38 n ASN 38 N -3.40 -0.18 -4.65 0.17 6.94 -1.26 -5.12 115.26 107.75 1q38 n ASN 38 Ca -0.05 -1.10 -0.43 0.00 -0.02 0.00 0.00 54.58 52.98 1q38 n ASN 38 Cb 0.98 0.30 -0.02 0.00 -2.36 0.00 0.00 39.78 38.68 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1q38 s SER 39 N -1.23 7.04 -0.20 0.53 0.15 -1.26 -5.02 113.70 113.70 1q38 s SER 39 Ca 0.02 1.31 -0.05 0.00 0.70 0.00 0.00 55.95 57.93 1q38 s SER 39 Cb -0.00 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 1q38 s SER 39 CO 0.01 -0.74 0.01 -0.47 1.20 0.00 0.00 173.24 173.24 1q38 s TYR 40 N 3.36 3.06 0.05 3.44 6.14 -1.26 -5.10 117.35 127.04 1q38 s TYR 40 Ca 0.45 -0.38 0.03 0.00 0.64 0.00 0.00 57.07 57.82 1q38 s TYR 40 Cb -0.15 -2.08 -0.04 0.00 0.42 0.00 0.00 41.96 40.11 1q38 s TYR 40 CO 0.09 -0.18 0.01 -0.08 0.64 0.00 0.00 175.55 176.04 1q38 s THR 41 N 0.90 4.17 -0.12 4.34 -1.32 -1.26 -5.12 115.64 117.24 1q38 s THR 41 Ca 0.01 -0.78 -0.04 0.00 -1.21 0.00 0.00 61.69 59.67 1q38 s THR 41 Cb -0.14 -2.94 -0.04 0.00 -1.51 0.00 0.00 72.50 67.87 1q38 s THR 41 CO 0.02 0.23 0.04 -0.63 -2.21 0.00 0.00 174.62 172.07 1q38 s ILE 42 N -1.23 4.62 0.79 5.08 1.01 -1.26 -5.08 121.20 125.13 1q38 s ILE 42 Ca 0.24 -0.12 -0.16 0.00 0.00 0.00 0.00 60.65 60.61 1q38 s ILE 42 Cb -0.12 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.32 1q38 s ILE 42 CO 0.15 0.57 0.24 1.17 0.00 0.00 0.00 174.94 177.08 1q38 n LYS 43 N 2.46 0.09 -1.70 2.79 3.00 -1.26 -4.82 118.16 118.72 1q38 n LYS 43 Ca -0.18 0.06 -0.43 0.00 -0.00 0.00 0.00 58.31 57.76 1q38 n LYS 43 Cb 0.54 -1.63 -0.03 0.00 0.00 0.00 0.00 35.03 33.90 1q38 n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1q38 n GLY 44 N 1.97 1.48 0.00 3.14 0.00 -1.26 -5.00 105.19 105.53 1q38 n GLY 44 Ca 0.07 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 4.19 0.00 -3.70 0.99 7.99 -1.26 -5.05 117.00 120.16 1q38 n LEU 45 Ca 0.17 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 56.05 1q38 n LEU 45 Cb 0.34 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.55 1q38 n LEU 45 CO 0.64 0.00 0.14 -0.75 -1.51 0.00 0.00 177.39 175.91 1q38 s LYS 46 N 0.00 0.51 -0.11 3.23 2.20 -1.26 -4.92 119.74 119.39 1q38 s LYS 46 Ca 0.00 0.79 -0.29 0.00 -0.36 0.00 0.00 55.97 56.10 1q38 s LYS 46 Cb 0.00 0.13 -0.05 0.00 -1.51 0.00 0.00 37.83 36.40 1q38 s LYS 46 CO 0.00 -0.12 1.80 -2.14 -0.36 0.00 0.00 175.35 174.54 1q38 s PRO 47 N 0.90 3.90 0.00 4.03 0.02 -1.26 -2.00 135.00 140.59 1q38 s PRO 47 Ca -0.05 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.08 1q38 s PRO 47 Cb -0.06 -4.10 0.00 0.00 0.02 0.00 0.00 34.50 30.36 1q38 s PRO 47 CO -0.07 -1.19 0.00 0.41 -0.33 0.00 0.00 177.00 175.81 1q38 n GLY 48 N 4.63 0.25 3.26 0.52 0.00 -1.26 -4.88 105.19 107.71 1q38 n GLY 48 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 2.25 -0.15 1.61 1.01 -0.85 -5.00 120.40 117.28 1q38 s VAL 49 Ca 0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 1q38 s VAL 49 Cb 0.00 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1q38 s VAL 49 CO 0.00 0.56 0.14 -0.69 0.00 0.00 0.00 175.10 175.11 1q38 s VAL 50 N 0.21 5.47 -0.26 2.92 1.01 -1.26 -4.48 120.40 124.00 1q38 s VAL 50 Ca -0.14 0.21 -0.08 0.00 0.00 0.00 0.00 61.98 61.98 1q38 s VAL 50 Cb -0.17 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1q38 s VAL 50 CO 0.07 0.56 0.09 -0.31 0.00 0.00 0.00 175.10 175.50 1q38 s TYR 51 N -0.54 3.11 0.19 5.22 1.51 -1.07 -1.10 117.35 124.66 1q38 s TYR 51 Ca 0.13 -0.48 -0.30 0.00 -1.01 0.00 0.00 57.07 55.40 1q38 s TYR 51 Cb -0.12 -2.26 -0.08 0.00 -0.11 0.00 0.00 41.96 39.40 1q38 s TYR 51 CO 0.02 -0.39 0.95 -1.83 -1.11 0.00 0.00 175.55 173.19 1q38 s GLU 52 N 1.61 4.79 0.00 -0.62 -1.05 0.21 -2.78 118.70 120.86 1q38 s GLU 52 Ca 0.06 1.47 -0.03 0.00 -0.15 0.00 0.00 54.97 56.32 1q38 s GLU 52 Cb -0.16 -3.32 -0.01 0.00 -0.44 0.00 0.00 34.13 30.21 1q38 s GLU 52 CO 0.04 0.40 0.05 0.20 0.95 0.00 0.00 175.26 176.90 1q38 s GLY 53 N -0.72 0.10 0.06 -3.83 0.00 -0.45 -0.47 107.32 102.02 1q38 s GLY 53 Ca 0.43 -0.24 0.04 0.00 0.00 0.00 0.00 44.72 44.95 1q38 s GLY 53 CO 0.31 -0.32 -0.11 1.62 0.00 0.00 0.00 173.10 174.59 1q38 s GLN 54 N -1.06 0.71 -0.24 2.90 0.74 0.20 -0.49 119.66 122.42 1q38 s GLN 54 Ca -0.12 -0.90 0.01 0.00 0.05 0.00 0.00 55.36 54.41 1q38 s GLN 54 Cb -0.07 -0.59 0.06 0.00 1.10 0.00 0.00 33.01 33.51 1q38 s GLN 54 CO 0.00 0.12 -0.07 -1.17 -0.55 0.00 0.00 175.29 173.62 1q38 s LEU 55 N -1.75 2.82 -0.09 3.68 2.96 0.64 -0.67 118.68 126.26 1q38 s LEU 55 Ca -0.04 -1.23 -0.10 0.00 -0.22 0.00 0.00 54.13 52.53 1q38 s LEU 55 Cb -0.09 -1.29 -0.05 0.00 0.50 0.00 0.00 46.19 45.26 1q38 s LEU 55 CO 0.01 -0.22 0.24 -0.63 -1.32 0.00 0.00 176.35 174.43 1q38 s ILE 56 N 1.31 5.33 -0.20 6.68 1.01 -0.79 -1.52 121.20 133.03 1q38 s ILE 56 Ca -0.07 0.44 -0.02 0.00 0.00 0.00 0.00 60.65 61.00 1q38 s ILE 56 Cb -0.19 -3.53 -0.00 0.00 0.01 0.00 0.00 42.46 38.75 1q38 s ILE 56 CO -0.06 0.57 -0.09 -0.44 0.00 0.00 0.00 174.94 174.92 1q38 s SER 57 N -0.80 3.97 -0.18 3.58 0.01 0.17 -1.12 113.70 119.32 1q38 s SER 57 Ca 0.17 -0.44 -0.03 0.00 1.31 0.00 0.00 55.95 56.96 1q38 s SER 57 Cb -0.13 -1.66 -0.01 0.00 0.21 0.00 0.00 66.02 64.43 1q38 s SER 57 CO 0.07 0.02 -0.06 -0.63 0.41 0.00 0.00 173.24 173.04 1q38 s ILE 58 N 1.24 3.41 0.52 1.44 1.01 -0.69 -1.24 121.20 126.90 1q38 s ILE 58 Ca 0.03 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.21 1q38 s ILE 58 Cb -0.14 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.82 1q38 s ILE 58 CO -0.04 0.46 0.18 0.00 0.00 0.00 0.00 174.94 175.54 1q38 s GLN 59 N 0.96 2.22 0.27 2.79 -2.07 -1.26 -1.92 119.66 120.65 1q38 s GLN 59 Ca -0.00 -2.23 0.23 0.00 -1.82 0.00 0.00 55.36 51.53 1q38 s GLN 59 Cb -0.15 -1.79 1.01 0.00 -1.09 0.00 0.00 33.01 31.00 1q38 s GLN 59 CO 0.00 -0.47 1.69 0.00 -1.32 0.00 0.00 175.29 175.19 1q38 n GLN 60 N -1.48 0.18 0.00 9.60 10.64 -1.26 -1.46 117.38 133.59 1q38 n GLN 60 Ca -0.11 0.47 0.10 0.00 -1.83 0.00 0.00 57.00 55.63 1q38 n GLN 60 Cb 0.66 -1.88 0.00 0.00 -0.86 0.00 0.00 30.24 28.15 1q38 n GLN 60 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1q38 n TYR 61 N -2.23 0.00 -3.19 2.61 4.02 -1.26 -5.01 117.16 112.10 1q38 n TYR 61 Ca 0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.81 1q38 n TYR 61 Cb 0.18 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.54 1q38 n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q38 n GLY 62 N 1.35 -1.19 0.11 2.72 0.00 -0.54 -4.96 105.19 102.68 1q38 n GLY 62 Ca 0.09 0.54 -0.15 0.00 0.00 0.00 0.00 46.02 46.50 1q38 n GLY 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1q38 h HIS 63 N -0.47 0.25 -5.01 1.61 3.86 -1.83 -3.48 115.15 110.08 1q38 h HIS 63 Ca -0.36 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 58.67 1q38 h HIS 63 Cb 1.19 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1q38 h HIS 63 CO 0.26 1.39 -0.83 1.04 0.86 0.00 0.00 177.93 180.64 1q38 n GLN 64 N -3.27 -3.07 -3.73 2.45 1.13 -1.06 -5.02 117.38 104.82 1q38 n GLN 64 Ca -0.24 2.52 -0.35 0.00 -1.94 0.00 0.00 57.00 56.99 1q38 n GLN 64 Cb 1.05 -5.16 -0.05 0.00 0.11 0.00 0.00 30.24 26.18 1q38 n GLN 64 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1q38 s GLU 65 N -1.72 3.62 -0.02 -1.09 2.56 -0.37 -4.82 118.70 116.85 1q38 s GLU 65 Ca 0.05 -0.00 0.02 0.00 0.00 0.00 0.00 54.97 55.03 1q38 s GLU 65 Cb -0.01 -3.10 0.00 0.00 2.00 0.00 0.00 34.13 33.02 1q38 s GLU 65 CO 0.73 0.66 -0.07 0.08 -0.56 0.00 0.00 175.26 176.10 1q38 s VAL 66 N -1.26 0.59 -0.05 3.70 1.01 -1.25 0.42 120.40 123.57 1q38 s VAL 66 Ca 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 1q38 s VAL 66 Cb -0.13 -0.54 0.03 0.00 0.00 0.00 0.00 36.38 35.73 1q38 s VAL 66 CO 0.15 0.19 0.03 -0.89 0.00 0.00 0.00 175.10 174.58 1q38 s THR 67 N 0.22 0.10 0.14 3.92 2.01 -0.57 -4.95 115.64 116.52 1q38 s THR 67 Ca -0.03 0.28 -0.12 0.00 0.31 0.00 0.00 61.69 62.13 1q38 s THR 67 Cb -0.07 -0.31 -0.07 0.00 0.01 0.00 0.00 72.50 72.07 1q38 s THR 67 CO 0.00 0.21 0.49 -0.13 -0.69 0.00 0.00 174.62 174.50 1q38 s ARG 68 N 1.96 3.86 -0.10 4.92 0.52 -1.26 -0.26 118.95 128.59 1q38 s ARG 68 Ca 0.03 0.32 -0.23 0.00 -0.52 0.00 0.00 55.73 55.33 1q38 s ARG 68 Cb -0.12 -2.90 0.05 0.00 0.52 0.00 0.00 34.95 32.51 1q38 s ARG 68 CO -0.04 0.47 0.56 -0.59 0.02 0.00 0.00 175.30 175.72 1q38 s PHE 69 N -1.52 -0.54 -0.10 -0.53 -0.12 0.35 -4.99 117.98 110.54 1q38 s PHE 69 Ca 0.38 1.07 0.01 0.00 -0.05 0.00 0.00 56.93 58.35 1q38 s PHE 69 Cb -0.14 0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.50 1q38 s PHE 69 CO 0.19 -0.45 -0.14 -0.51 -0.05 0.00 0.00 175.22 174.26 1q38 s ASP 70 N -0.70 3.97 -0.01 1.98 1.11 -1.26 -1.33 116.67 120.43 1q38 s ASP 70 Ca -0.08 -0.30 -0.07 0.00 0.18 0.00 0.00 52.55 52.29 1q38 s ASP 70 Cb -0.03 -1.36 0.00 0.00 1.07 0.00 0.00 42.92 42.61 1q38 s ASP 70 CO 0.05 0.22 0.14 0.72 1.18 0.00 0.00 175.17 177.48 1q38 s PHE 71 N 0.02 0.02 0.11 4.23 -0.71 -1.12 -4.24 117.98 116.28 1q38 s PHE 71 Ca -0.04 -0.06 -0.06 0.00 -1.04 0.00 0.00 56.93 55.73 1q38 s PHE 71 Cb -0.14 -0.04 -0.02 0.00 -1.21 0.00 0.00 43.02 41.61 1q38 s PHE 71 CO 0.04 -0.25 0.15 0.95 -1.34 0.00 0.00 175.22 174.77 1q38 s THR 72 N -1.16 0.13 0.05 -4.49 -4.23 -1.26 -2.61 115.64 102.07 1q38 s THR 72 Ca -0.12 -1.48 0.05 0.00 -1.18 0.00 0.00 61.69 58.95 1q38 s THR 72 Cb -0.07 -1.65 -0.24 0.00 1.34 0.00 0.00 72.50 71.89 1q38 s THR 72 CO 0.01 -0.57 1.04 0.00 -0.54 0.00 0.00 174.62 174.55 1q38 h THR 73 N 2.78 1.38 0.00 3.99 1.03 -1.86 -3.44 112.91 116.79 1q38 h THR 73 Ca -0.34 -3.09 0.00 0.00 -0.01 0.00 0.00 66.41 62.97 1q38 h THR 73 Cb 1.20 2.74 0.00 0.00 -1.07 0.00 0.00 68.15 71.02 1q38 h THR 73 CO 0.56 0.83 0.00 1.07 -0.01 0.00 0.00 175.52 177.97 1q38 n THR 74 N -3.32 0.00 0.00 0.00 5.66 -1.26 -5.03 114.28 110.33 1q38 n THR 74 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1q38 n THR 74 Cb 1.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.78 1q38 n THR 74 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1q38 n SER 75 N 0.00 0.00 -1.45 1.09 2.88 -1.26 -4.70 113.62 110.18 1q38 n SER 75 Ca 0.00 0.69 -0.00 0.00 -1.33 0.00 0.00 58.87 58.22 1q38 n SER 75 Cb 0.07 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 1q38 n SER 75 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1q38 n THR 76 N -1.29 0.00 -1.66 2.46 5.66 -1.26 -4.66 114.28 113.53 1q38 n THR 76 Ca 0.00 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 1q38 n THR 76 Cb 0.00 0.14 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 1q38 n THR 76 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1q38 n SER 77 N -0.67 0.00 -3.43 1.09 7.64 -1.26 -4.38 113.62 112.61 1q38 n SER 77 Ca -0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 1q38 n SER 77 Cb 0.11 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.37 1q38 n SER 77 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1q38 n THR 78 N 0.00 -7.68 -2.11 0.44 -1.04 -1.26 -4.98 114.28 97.65 1q38 n THR 78 Ca 0.00 -1.14 -0.07 0.00 -2.04 0.00 0.00 64.05 60.80 1q38 n THR 78 Cb 0.00 -5.58 0.04 0.00 -1.82 0.00 0.00 70.33 62.97 1q38 n THR 78 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1q38 n PRO 79 N -3.65 0.25 -1.03 -2.82 -0.04 -1.26 -5.00 135.00 121.44 1q38 n PRO 79 Ca -0.10 -0.72 -0.09 0.00 -0.04 0.00 0.00 63.50 62.55 1q38 n PRO 79 Cb 0.62 -0.23 0.28 0.00 -0.04 0.00 0.00 33.50 34.13 1q38 n PRO 79 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q38 n GLY 80 N 2.79 3.69 1.20 0.55 0.00 -1.26 -4.21 105.19 107.95 1q38 n GLY 80 Ca 0.05 -0.97 0.08 0.00 0.00 0.00 0.00 46.02 45.17 1q38 n GLY 80 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q38 n SER 81 N -0.26 4.25 -2.22 1.61 2.88 -1.26 -4.47 113.62 114.15 1q38 n SER 81 Ca 0.43 -2.64 -0.24 0.00 -1.33 0.00 0.00 58.87 55.09 1q38 n SER 81 Cb 1.41 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 64.36 1q38 n SER 81 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1q38 n ARG 82 N 0.34 2.18 -3.49 -1.46 0.63 -1.26 -4.81 116.66 108.79 1q38 n ARG 82 Ca 0.22 -2.14 -0.24 0.00 -0.92 0.00 0.00 57.85 54.77 1q38 n ARG 82 Cb 0.85 -1.93 0.06 0.00 0.45 0.00 0.00 32.46 31.89 1q38 n ARG 82 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1q38 n SER 83 N 0.40 -5.81 -4.68 6.15 7.64 -1.26 -4.89 113.62 111.17 1q38 n SER 83 Ca 0.42 -0.87 -0.41 0.00 1.01 0.00 0.00 58.87 59.02 1q38 n SER 83 Cb 0.56 -4.23 0.02 0.00 -1.01 0.00 0.00 64.21 59.55 1q38 n SER 83 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1q38 n HIS 84 N -3.76 1.91 -4.12 1.43 -0.00 -1.26 -5.02 115.22 104.40 1q38 n HIS 84 Ca -0.09 0.50 -0.11 0.00 0.46 0.00 0.00 57.72 58.48 1q38 n HIS 84 Cb 0.61 -2.34 -0.11 0.00 -0.12 0.00 0.00 29.99 28.04 1q38 n HIS 84 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1q38 s HIS 85 N -1.24 0.75 -0.06 1.57 -3.43 -1.26 -5.16 115.29 106.47 1q38 s HIS 85 Ca 0.63 -0.77 -0.08 0.00 -0.80 0.00 0.00 55.06 54.04 1q38 s HIS 85 Cb -0.50 -0.45 0.02 0.00 -1.43 0.00 0.00 32.58 30.21 1q38 s HIS 85 CO 0.56 -0.15 0.20 -1.58 -2.00 0.00 0.00 174.74 171.77 1q38 s HIS 86 N -2.80 -0.16 0.00 0.38 2.46 -1.26 -5.12 115.29 108.78 1q38 s HIS 86 Ca 0.03 0.38 0.00 0.00 0.47 0.00 0.00 55.06 55.94 1q38 s HIS 86 Cb -0.00 0.05 0.00 0.00 -0.13 0.00 0.00 32.58 32.50 1q38 s HIS 86 CO -0.03 -0.17 0.00 0.72 -2.47 0.00 0.00 174.74 172.79 1q38 n HIS 87 N 2.51 -1.05 0.09 3.88 8.25 -1.26 -3.98 115.22 123.65 1q38 n HIS 87 Ca -0.15 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.10 1q38 n HIS 87 Cb 0.58 0.18 -0.12 0.00 1.12 0.00 0.00 29.99 31.75 1q38 n HIS 87 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1q38 h HIS 88 N 0.00 0.91 -0.01 4.41 -0.00 -2.08 -3.57 115.15 114.82 1q38 h HIS 88 Ca 0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 60.37 59.81 1q38 h HIS 88 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.33 1q38 h HIS 88 CO 0.00 1.41 0.00 1.58 -0.00 0.00 0.00 177.93 180.92