#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 0.68 0.00 0.03 5.12 -1.26 -5.05 116.66 116.18 1q38 n ARG 2 Ca 0.00 -1.31 0.00 0.00 -1.93 0.00 0.00 57.85 54.61 1q38 n ARG 2 Cb 0.00 0.30 0.00 0.00 -1.16 0.00 0.00 32.46 31.60 1q38 n ARG 2 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1q38 n GLY 3 N -0.66 -0.46 2.90 -0.13 0.00 -1.26 -4.99 105.19 100.60 1q38 n GLY 3 Ca -0.19 0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 1q38 n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1q38 n SER 4 N 0.00 -5.02 -1.42 1.61 7.64 -1.26 -4.66 113.62 110.52 1q38 n SER 4 Ca 0.00 -0.18 0.19 0.00 1.01 0.00 0.00 58.87 59.90 1q38 n SER 4 Cb 0.00 -4.13 -0.05 0.00 -1.01 0.00 0.00 64.21 59.02 1q38 n SER 4 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1q38 n ASN 5 N -2.24 -8.43 -2.89 6.43 5.15 -1.26 -4.86 115.26 107.16 1q38 n ASN 5 Ca -0.11 0.59 -0.13 0.00 -0.60 0.00 0.00 54.58 54.32 1q38 n ASN 5 Cb 0.61 -4.33 0.02 0.00 -0.53 0.00 0.00 39.78 35.55 1q38 n ASN 5 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1q38 n ALA 6 N -2.30 -0.06 -1.22 5.20 0.00 -1.26 -5.15 120.51 115.71 1q38 n ALA 6 Ca 0.01 -2.08 -0.29 0.00 0.00 0.00 0.00 53.44 51.08 1q38 n ALA 6 Cb 0.67 -1.14 0.15 0.00 0.00 0.00 0.00 19.45 19.13 1q38 n ALA 6 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1q38 s PRO 7 N -0.11 0.89 -0.46 0.00 0.04 -1.26 -5.01 135.00 129.09 1q38 s PRO 7 Ca 0.32 0.64 -0.15 0.00 0.04 0.00 0.00 61.00 61.85 1q38 s PRO 7 Cb 0.24 -1.78 0.06 0.00 0.04 0.00 0.00 34.50 33.06 1q38 s PRO 7 CO -0.17 -2.45 0.38 -0.65 0.04 0.00 0.00 177.00 174.15 1q38 s GLN 8 N -4.98 2.98 0.92 4.56 -0.21 -1.26 -5.04 119.66 116.64 1q38 s GLN 8 Ca 0.64 -1.29 -0.16 0.00 0.02 0.00 0.00 55.36 54.58 1q38 s GLN 8 Cb -0.18 -4.10 0.22 0.00 1.00 0.00 0.00 33.01 29.95 1q38 s GLN 8 CO 0.57 -0.98 1.14 -0.35 -2.12 0.00 0.00 175.29 173.55 1q38 n PRO 9 N 5.19 -1.56 0.00 2.91 -0.04 -1.26 -4.95 135.00 135.29 1q38 n PRO 9 Ca -0.12 -1.77 0.15 0.00 -0.04 0.00 0.00 63.50 61.72 1q38 n PRO 9 Cb 0.44 -1.28 0.76 0.00 -0.04 0.00 0.00 33.50 33.39 1q38 n PRO 9 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1q38 n SER 10 N -3.97 0.39 0.00 3.54 7.64 -1.26 -4.88 113.62 115.07 1q38 n SER 10 Ca 0.15 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 59.17 1q38 n SER 10 Cb 0.52 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1q38 n SER 10 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1q38 n HIS 11 N -0.82 0.00 -2.31 1.43 -0.00 -1.26 -5.14 115.22 107.11 1q38 n HIS 11 Ca 0.19 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.54 1q38 n HIS 11 Cb 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.18 1q38 n HIS 11 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 1q38 s ILE 12 N -0.11 3.21 0.14 3.57 1.10 -1.26 -4.95 121.20 122.90 1q38 s ILE 12 Ca 0.00 0.97 -0.15 0.00 -0.51 0.00 0.00 60.65 60.96 1q38 s ILE 12 Cb 0.00 -3.53 0.01 0.00 0.15 0.00 0.00 42.46 39.09 1q38 s ILE 12 CO 0.00 0.05 1.71 -1.28 -2.11 0.00 0.00 174.94 173.31 1q38 h SER 13 N 2.46 0.57 -3.80 4.50 0.87 -1.90 -3.28 113.55 112.97 1q38 h SER 13 Ca -0.49 -0.15 0.06 0.00 -1.23 0.00 0.00 61.79 59.98 1q38 h SER 13 Cb 1.24 -0.15 -0.24 0.00 -0.44 0.00 0.00 62.40 62.81 1q38 h SER 13 CO 0.62 0.56 0.46 -1.59 -0.53 0.00 0.00 176.83 176.35 1q38 s LYS 14 N -5.64 0.60 -0.02 2.24 -2.85 -1.12 -4.52 119.74 108.43 1q38 s LYS 14 Ca -0.13 0.38 -0.03 0.00 -1.00 0.00 0.00 55.97 55.18 1q38 s LYS 14 Cb 0.11 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 1q38 s LYS 14 CO 0.75 -0.14 0.17 0.71 0.10 0.00 0.00 175.35 176.94 1q38 s TYR 15 N -0.50 3.53 -0.20 1.78 2.02 -0.67 0.45 117.35 123.77 1q38 s TYR 15 Ca -0.00 0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 57.04 1q38 s TYR 15 Cb -0.02 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.70 1q38 s TYR 15 CO -0.01 0.65 -0.11 0.42 -1.57 0.00 0.00 175.55 174.93 1q38 s ILE 16 N -1.27 2.87 -0.30 2.71 -1.09 0.19 -1.29 121.20 123.02 1q38 s ILE 16 Ca 0.25 -0.67 -0.06 0.00 -2.23 0.00 0.00 60.65 57.94 1q38 s ILE 16 Cb -0.12 -2.27 0.02 0.00 -1.58 0.00 0.00 42.46 38.50 1q38 s ILE 16 CO 0.16 0.47 0.07 -0.22 -1.23 0.00 0.00 174.94 174.20 1q38 s LEU 17 N 1.29 3.85 -0.14 2.97 2.96 -0.51 -0.29 118.68 128.83 1q38 s LEU 17 Ca 0.04 -0.80 0.00 0.00 -0.22 0.00 0.00 54.13 53.15 1q38 s LEU 17 Cb -0.14 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 1q38 s LEU 17 CO -0.06 -0.21 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.50 1q38 s ARG 18 N 1.46 3.34 -0.02 1.98 0.52 -0.71 -2.08 118.95 123.44 1q38 s ARG 18 Ca 0.02 -0.71 -0.07 0.00 -0.52 0.00 0.00 55.73 54.46 1q38 s ARG 18 Cb -0.17 -2.63 0.01 0.00 0.52 0.00 0.00 34.95 32.68 1q38 s ARG 18 CO 0.02 0.16 0.15 1.67 0.02 0.00 0.00 175.30 177.31 1q38 s TRP 19 N 0.48 -0.05 -0.08 -0.53 -2.14 -1.07 -1.52 118.94 114.03 1q38 s TRP 19 Ca -0.10 0.10 -0.17 0.00 2.66 0.00 0.00 56.10 58.60 1q38 s TRP 19 Cb -0.16 -0.00 0.04 0.00 -3.10 0.00 0.00 33.47 30.25 1q38 s TRP 19 CO 0.05 -0.20 0.41 0.50 -2.66 0.00 0.00 176.95 175.05 1q38 s ARG 20 N -0.76 0.66 -0.23 3.25 3.00 -1.11 -1.53 118.95 122.22 1q38 s ARG 20 Ca -0.09 0.20 -0.29 0.00 -1.00 0.00 0.00 55.73 54.55 1q38 s ARG 20 Cb -0.05 0.30 -0.06 0.00 0.00 0.00 0.00 34.95 35.15 1q38 s ARG 20 CO 0.01 -0.15 2.22 -2.30 0.00 0.00 0.00 175.30 175.07 1q38 n PRO 21 N 1.87 1.86 0.11 5.12 -0.02 -1.26 -0.93 135.00 141.75 1q38 n PRO 21 Ca -0.18 0.51 0.12 0.00 -2.02 0.00 0.00 63.50 61.93 1q38 n PRO 21 Cb 0.57 -3.14 0.46 0.00 -0.02 0.00 0.00 33.50 31.37 1q38 n PRO 21 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1q38 n LYS 22 N 8.67 0.18 -0.04 -0.52 4.76 -1.19 0.34 118.16 130.35 1q38 n LYS 22 Ca 0.31 0.35 -0.03 0.00 -2.87 0.00 0.00 58.31 56.07 1q38 n LYS 22 Cb 0.42 -1.80 -0.14 0.00 -1.84 0.00 0.00 35.03 31.67 1q38 n LYS 22 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1q38 n ASN 23 N -2.13 0.34 -0.00 4.39 0.23 -1.26 -4.35 115.26 112.47 1q38 n ASN 23 Ca 0.03 0.15 0.07 0.00 -0.53 0.00 0.00 54.58 54.31 1q38 n ASN 23 Cb 0.26 0.83 -0.10 0.00 -2.08 0.00 0.00 39.78 38.70 1q38 n ASN 23 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1q38 n SER 24 N -2.73 0.93 -3.40 0.53 7.64 -1.14 -5.04 113.62 110.41 1q38 n SER 24 Ca -0.19 -0.60 -0.13 0.00 1.01 0.00 0.00 58.87 58.96 1q38 n SER 24 Cb 0.95 1.21 0.00 0.00 -1.01 0.00 0.00 64.21 65.36 1q38 n SER 24 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1q38 n VAL 25 N -1.55 -6.90 -2.06 0.44 0.31 0.15 -5.02 118.33 103.71 1q38 n VAL 25 Ca 0.01 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1q38 n VAL 25 Cb 0.28 -5.02 0.00 0.00 -0.91 0.00 0.00 33.84 28.20 1q38 n VAL 25 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1q38 n GLY 26 N -1.61 4.64 3.82 2.92 0.00 -1.23 -5.03 105.19 108.69 1q38 n GLY 26 Ca -0.15 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.57 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 2.31 4.15 1.13 1.61 0.52 -1.26 -4.82 118.95 122.58 1q38 s ARG 27 Ca 0.00 0.68 -0.18 0.00 -0.52 0.00 0.00 55.73 55.71 1q38 s ARG 27 Cb 0.00 -3.16 0.26 0.00 0.52 0.00 0.00 34.95 32.57 1q38 s ARG 27 CO 0.00 0.60 1.18 -1.58 0.02 0.00 0.00 175.30 175.52 1q38 s TRP 28 N -1.20 0.83 0.02 -0.53 0.52 -1.26 -4.69 118.94 112.63 1q38 s TRP 28 Ca 0.31 0.43 0.00 0.00 0.02 0.00 0.00 56.10 56.86 1q38 s TRP 28 Cb -0.18 -3.68 -0.02 0.00 -1.15 0.00 0.00 33.47 28.44 1q38 s TRP 28 CO 0.19 -3.48 -0.03 0.15 0.02 0.00 0.00 176.95 173.79 1q38 s LYS 29 N -5.58 0.28 -0.04 4.98 1.02 -0.58 -4.90 119.74 114.91 1q38 s LYS 29 Ca 0.72 -0.50 0.07 0.00 0.02 0.00 0.00 55.97 56.28 1q38 s LYS 29 Cb -0.08 0.03 -0.01 0.00 -0.52 0.00 0.00 37.83 37.25 1q38 s LYS 29 CO 0.55 -0.03 -0.25 -1.21 -0.92 0.00 0.00 175.35 173.49 1q38 s GLU 30 N -1.16 2.40 -0.05 1.68 2.02 -1.25 -2.60 118.70 119.74 1q38 s GLU 30 Ca -0.12 -0.91 -0.02 0.00 0.02 0.00 0.00 54.97 53.94 1q38 s GLU 30 Cb -0.08 -2.13 0.03 0.00 0.10 0.00 0.00 34.13 32.06 1q38 s GLU 30 CO -0.01 0.45 0.08 0.00 0.02 0.00 0.00 175.26 175.81 1q38 s ALA 31 N -0.33 0.09 -0.32 5.21 0.00 -0.88 -4.95 121.76 120.57 1q38 s ALA 31 Ca 0.01 0.32 -0.15 0.00 0.00 0.00 0.00 51.96 52.15 1q38 s ALA 31 Cb -0.12 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 1q38 s ALA 31 CO 0.02 -0.43 0.34 0.99 0.00 0.00 0.00 175.76 176.68 1q38 s THR 32 N 1.97 5.19 -0.22 0.00 2.01 -1.26 -1.42 115.64 121.91 1q38 s THR 32 Ca 0.02 0.16 -0.03 0.00 0.31 0.00 0.00 61.69 62.14 1q38 s THR 32 Cb -0.12 -3.76 0.07 0.00 0.01 0.00 0.00 72.50 68.70 1q38 s THR 32 CO -0.04 -0.00 0.08 -0.63 -0.69 0.00 0.00 174.62 173.34 1q38 s ILE 33 N 2.00 0.27 0.00 1.82 1.01 -0.41 -4.90 121.20 120.99 1q38 s ILE 33 Ca 0.12 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1q38 s ILE 33 Cb -0.16 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.34 1q38 s ILE 33 CO 0.11 -0.39 0.00 -2.65 0.00 0.00 0.00 174.94 172.01 1q38 n PRO 34 N 5.13 1.21 -1.77 2.79 -0.02 -1.26 -1.66 135.00 139.41 1q38 n PRO 34 Ca -0.07 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.98 1q38 n PRO 34 Cb 0.46 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.91 1q38 n PRO 34 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1q38 s GLY 35 N -0.79 0.65 0.00 -1.23 0.00 -1.24 -4.45 107.32 100.26 1q38 s GLY 35 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.30 1q38 s GLY 35 CO 0.00 3.58 0.00 -2.39 0.00 0.00 0.00 173.10 174.29 1q38 n HIS 36 N 11.02 0.00 1.77 1.90 1.44 -1.26 -4.70 115.22 125.40 1q38 n HIS 36 Ca 0.27 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 56.12 1q38 n HIS 36 Cb 0.46 0.00 0.73 0.00 0.12 0.00 0.00 29.99 31.29 1q38 n HIS 36 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 1q38 n LEU 37 N -0.10 0.64 0.00 2.39 -0.00 -1.26 -4.79 117.00 113.87 1q38 n LEU 37 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 56.01 55.79 1q38 n LEU 37 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.41 1q38 n LEU 37 CO 0.00 0.11 0.00 -3.20 -0.00 0.00 0.00 177.39 174.30 1q38 n ASN 38 N -0.48 -1.82 -4.13 1.45 4.05 -1.26 -5.02 115.26 108.05 1q38 n ASN 38 Ca 0.21 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.94 1q38 n ASN 38 Cb 0.21 -0.46 0.20 0.00 1.23 0.00 0.00 39.78 40.96 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1q38 s SER 39 N -2.91 2.43 -0.40 1.20 0.15 -1.26 -4.96 113.70 107.95 1q38 s SER 39 Ca 0.00 0.50 -0.28 0.00 0.70 0.00 0.00 55.95 56.87 1q38 s SER 39 Cb 0.00 -0.69 -0.01 0.00 -1.71 0.00 0.00 66.02 63.61 1q38 s SER 39 CO 0.00 -3.17 1.65 -0.47 1.20 0.00 0.00 173.24 172.44 1q38 s TYR 40 N -3.49 2.02 -0.07 3.44 5.04 -1.26 -4.99 117.35 118.04 1q38 s TYR 40 Ca 0.71 0.64 -0.03 0.00 -2.44 0.00 0.00 57.07 55.96 1q38 s TYR 40 Cb -0.07 -4.21 -0.04 0.00 0.35 0.00 0.00 41.96 37.99 1q38 s TYR 40 CO 0.54 -2.49 0.06 0.95 -1.34 0.00 0.00 175.55 173.27 1q38 s THR 41 N 6.58 4.76 -0.03 4.34 -4.23 -1.26 -4.85 115.64 120.95 1q38 s THR 41 Ca 0.70 -0.19 -0.28 0.00 -1.18 0.00 0.00 61.69 60.75 1q38 s THR 41 Cb -0.18 -3.08 -0.03 0.00 1.34 0.00 0.00 72.50 70.55 1q38 s THR 41 CO 0.31 0.52 0.88 -0.63 -0.54 0.00 0.00 174.62 175.17 1q38 s ILE 42 N -1.03 4.93 0.00 2.99 1.09 -1.26 -4.99 121.20 122.93 1q38 s ILE 42 Ca 0.17 1.84 -0.02 0.00 -1.10 0.00 0.00 60.65 61.55 1q38 s ILE 42 Cb -0.12 -4.22 0.01 0.00 -1.06 0.00 0.00 42.46 37.07 1q38 s ILE 42 CO 0.07 0.19 0.09 2.29 -0.10 0.00 0.00 174.94 177.47 1q38 n LYS 43 N 3.91 0.02 -2.90 2.79 2.85 -1.26 -5.10 118.16 118.47 1q38 n LYS 43 Ca 0.04 -0.07 -0.08 0.00 -1.05 0.00 0.00 58.31 57.15 1q38 n LYS 43 Cb 0.51 0.11 0.01 0.00 -0.65 0.00 0.00 35.03 35.01 1q38 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1q38 n GLY 44 N -0.06 -2.19 3.68 2.58 0.00 -1.26 -5.05 105.19 102.89 1q38 n GLY 44 Ca 0.00 0.83 -0.25 0.00 0.00 0.00 0.00 46.02 46.60 1q38 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q38 s LEU 45 N -2.07 3.04 -0.21 0.99 2.01 -1.26 -5.04 118.68 116.15 1q38 s LEU 45 Ca 0.14 -1.06 -0.13 0.00 0.01 0.00 0.00 54.13 53.09 1q38 s LEU 45 Cb -0.03 -1.36 -0.04 0.00 0.01 0.00 0.00 46.19 44.77 1q38 s LEU 45 CO 0.72 -0.39 0.29 -1.59 1.01 0.00 0.00 176.35 176.38 1q38 s LYS 46 N -3.80 4.16 0.10 1.70 -2.85 -1.26 -3.05 119.74 114.73 1q38 s LYS 46 Ca 0.38 0.01 -0.20 0.00 -1.00 0.00 0.00 55.97 55.16 1q38 s LYS 46 Cb 0.03 -3.51 -0.11 0.00 -2.06 0.00 0.00 37.83 32.17 1q38 s LYS 46 CO 0.21 0.07 0.41 -2.30 0.10 0.00 0.00 175.35 173.84 1q38 n PRO 47 N 4.19 0.00 0.00 1.78 -0.01 -1.26 -3.33 135.00 136.37 1q38 n PRO 47 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.37 1q38 n PRO 47 Cb 0.52 -0.71 0.00 0.00 -0.01 0.00 0.00 33.50 33.30 1q38 n PRO 47 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1q38 n GLY 48 N 1.19 0.36 3.13 -1.23 0.00 -1.26 -5.02 105.19 102.36 1q38 n GLY 48 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 1.78 0.01 1.61 1.01 -1.21 -5.09 120.40 116.52 1q38 s VAL 49 Ca 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1q38 s VAL 49 Cb 0.00 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1q38 s VAL 49 CO 0.00 0.50 0.06 0.54 0.00 0.00 0.00 175.10 176.20 1q38 s VAL 50 N 0.74 4.57 -0.03 2.92 0.11 -1.26 -2.86 120.40 124.60 1q38 s VAL 50 Ca -0.11 -0.52 0.01 0.00 -2.93 0.00 0.00 61.98 58.43 1q38 s VAL 50 Cb -0.16 -3.11 0.02 0.00 -1.53 0.00 0.00 36.38 31.61 1q38 s VAL 50 CO 0.01 0.31 -0.01 -0.31 -3.33 0.00 0.00 175.10 171.77 1q38 s TYR 51 N -1.22 0.33 -0.01 1.54 2.02 -0.29 -3.19 117.35 116.54 1q38 s TYR 51 Ca 0.24 -0.02 -0.30 0.00 -0.37 0.00 0.00 57.07 56.62 1q38 s TYR 51 Cb -0.12 -0.40 -0.03 0.00 -0.40 0.00 0.00 41.96 41.01 1q38 s TYR 51 CO 0.15 -0.12 0.99 -2.00 -1.57 0.00 0.00 175.55 173.00 1q38 s GLU 52 N 0.89 4.54 -0.14 -0.62 2.56 -0.10 -2.48 118.70 123.35 1q38 s GLU 52 Ca -0.09 1.43 0.00 0.00 0.00 0.00 0.00 54.97 56.31 1q38 s GLU 52 Cb -0.12 -3.47 -0.01 0.00 2.00 0.00 0.00 34.13 32.53 1q38 s GLU 52 CO -0.01 -0.09 -0.15 0.20 -0.56 0.00 0.00 175.26 174.65 1q38 s GLY 53 N 1.02 1.49 -0.15 -1.50 0.00 -0.02 -2.75 107.32 105.41 1q38 s GLY 53 Ca 0.52 -0.99 -0.02 0.00 0.00 0.00 0.00 44.72 44.23 1q38 s GLY 53 CO 0.27 -0.06 0.01 1.20 0.00 0.00 0.00 173.10 174.52 1q38 s GLN 54 N 0.64 0.74 -0.44 2.90 -0.21 -0.57 -0.80 119.66 121.92 1q38 s GLN 54 Ca -0.08 -0.25 -0.14 0.00 0.02 0.00 0.00 55.36 54.91 1q38 s GLN 54 Cb -0.16 -1.72 0.06 0.00 1.00 0.00 0.00 33.01 32.20 1q38 s GLN 54 CO 0.03 -0.50 0.33 -0.51 -2.12 0.00 0.00 175.29 172.51 1q38 s LEU 55 N 1.87 5.34 -0.21 2.90 1.43 -0.84 -1.73 118.68 127.44 1q38 s LEU 55 Ca 0.01 -1.27 -0.08 0.00 -1.03 0.00 0.00 54.13 51.77 1q38 s LEU 55 Cb -0.15 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 1q38 s LEU 55 CO -0.07 -0.56 0.08 -0.63 0.23 0.00 0.00 176.35 175.39 1q38 s ILE 56 N 1.59 4.68 0.39 -0.59 1.09 0.61 -1.92 121.20 127.05 1q38 s ILE 56 Ca 0.04 -0.06 -0.18 0.00 -1.10 0.00 0.00 60.65 59.34 1q38 s ILE 56 Cb -0.23 -3.15 -0.10 0.00 -1.06 0.00 0.00 42.46 37.92 1q38 s ILE 56 CO 0.06 0.40 0.86 -0.44 -0.10 0.00 0.00 174.94 175.72 1q38 s SER 57 N 0.92 6.86 -0.10 3.58 0.01 0.49 0.54 113.70 126.00 1q38 s SER 57 Ca 0.04 1.51 0.03 0.00 1.31 0.00 0.00 55.95 58.83 1q38 s SER 57 Cb -0.14 -2.47 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 1q38 s SER 57 CO 0.03 -0.30 -0.18 -0.63 0.41 0.00 0.00 173.24 172.57 1q38 s ILE 58 N -2.11 2.62 0.24 1.44 1.01 0.17 -0.12 121.20 124.46 1q38 s ILE 58 Ca 0.59 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 60.43 1q38 s ILE 58 Cb -0.10 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.35 1q38 s ILE 58 CO 0.15 0.55 0.21 1.67 0.00 0.00 0.00 174.94 177.52 1q38 n GLN 59 N 3.26 1.08 0.15 2.79 -0.06 -1.25 -2.81 117.38 120.54 1q38 n GLN 59 Ca -0.18 -1.47 0.06 0.00 -2.00 0.00 0.00 57.00 53.41 1q38 n GLN 59 Cb 0.53 0.11 0.55 0.00 -4.06 0.00 0.00 30.24 27.37 1q38 n GLN 59 CO 0.00 0.00 0.00 0.37 -0.20 0.00 0.00 177.06 177.23 1q38 h GLN 60 N 0.00 0.23 -0.01 3.69 -0.00 -1.98 -1.55 115.11 115.49 1q38 h GLN 60 Ca -0.15 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.49 1q38 h GLN 60 Cb 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 27.98 1q38 h GLN 60 CO 0.22 0.15 -0.40 2.48 0.00 0.00 0.00 178.83 181.29 1q38 n TYR 61 N -4.51 0.00 0.00 3.99 4.11 -1.26 -5.09 117.16 114.40 1q38 n TYR 61 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 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 1.24 1.70 1.50 -7.48 0.00 -0.58 -5.12 105.19 96.44 1q38 n GLY 62 Ca 0.07 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1q38 n GLY 62 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1q38 n HIS 63 N 1.59 -3.97 0.03 1.61 -0.00 -1.24 -4.31 115.22 108.93 1q38 n HIS 63 Ca 0.00 2.08 0.00 0.00 -0.00 0.00 0.00 57.72 59.80 1q38 n HIS 63 Cb 0.00 -3.29 0.00 0.00 -0.00 0.00 0.00 29.99 26.70 1q38 n HIS 63 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1q38 n GLN 64 N -0.15 0.00 -3.70 1.57 1.13 0.83 -3.90 117.38 113.16 1q38 n GLN 64 Ca 0.00 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.82 1q38 n GLN 64 Cb 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 30.24 30.18 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 -1.11 0.31 -0.09 -1.09 2.12 -1.23 -4.83 118.70 112.78 1q38 s GLU 65 Ca 0.00 0.01 0.03 0.00 0.36 0.00 0.00 54.97 55.38 1q38 s GLU 65 Cb 0.00 -1.32 0.01 0.00 0.26 0.00 0.00 34.13 33.07 1q38 s GLU 65 CO 0.00 -0.47 -0.19 0.54 -0.54 0.00 0.00 175.26 174.59 1q38 s VAL 66 N 2.04 1.70 0.00 3.70 0.11 -1.23 0.19 120.40 126.90 1q38 s VAL 66 Ca 0.03 -0.81 0.04 0.00 -2.93 0.00 0.00 61.98 58.32 1q38 s VAL 66 Cb -0.14 -1.49 -0.01 0.00 -1.53 0.00 0.00 36.38 33.20 1q38 s VAL 66 CO -0.06 0.48 -0.14 -0.89 -3.33 0.00 0.00 175.10 171.16 1q38 s THR 67 N 0.49 1.11 -0.15 5.04 2.01 -0.81 -4.96 115.64 118.37 1q38 s THR 67 Ca -0.17 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 1q38 s THR 67 Cb -0.17 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1q38 s THR 67 CO 0.07 0.24 0.04 -0.13 -0.69 0.00 0.00 174.62 174.15 1q38 s ARG 68 N -0.51 3.64 -0.22 4.92 0.52 -1.26 -1.98 118.95 124.06 1q38 s ARG 68 Ca 0.05 -0.36 -0.17 0.00 -0.52 0.00 0.00 55.73 54.72 1q38 s ARG 68 Cb -0.06 -3.06 0.06 0.00 0.52 0.00 0.00 34.95 32.41 1q38 s ARG 68 CO -0.00 0.43 0.57 -0.59 0.02 0.00 0.00 175.30 175.73 1q38 s PHE 69 N -0.09 -0.71 0.02 -0.53 -0.12 0.02 -5.02 117.98 111.55 1q38 s PHE 69 Ca 0.06 1.61 -0.11 0.00 -0.05 0.00 0.00 56.93 58.44 1q38 s PHE 69 Cb -0.12 0.31 -0.05 0.00 -0.63 0.00 0.00 43.02 42.52 1q38 s PHE 69 CO 0.01 -0.35 0.35 0.16 -0.05 0.00 0.00 175.22 175.34 1q38 s ASP 70 N 0.75 6.64 0.12 1.98 1.47 -1.26 -0.84 116.67 125.53 1q38 s ASP 70 Ca -0.04 0.77 -0.11 0.00 1.18 0.00 0.00 52.55 54.36 1q38 s ASP 70 Cb -0.05 -2.17 0.01 0.00 -0.34 0.00 0.00 42.92 40.36 1q38 s ASP 70 CO -0.06 0.26 0.27 0.72 0.68 0.00 0.00 175.17 177.05 1q38 s PHE 71 N -1.23 0.12 0.23 2.11 -0.71 -1.03 -4.61 117.98 112.85 1q38 s PHE 71 Ca 0.27 -0.50 0.00 0.00 -1.04 0.00 0.00 56.93 55.66 1q38 s PHE 71 Cb -0.14 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.65 1q38 s PHE 71 CO 0.15 -0.63 0.12 0.99 -1.34 0.00 0.00 175.22 174.50 1q38 s THR 72 N -3.87 0.23 0.00 -4.49 2.01 -1.26 -1.13 115.64 107.12 1q38 s THR 72 Ca 0.07 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.07 1q38 s THR 72 Cb 0.04 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 69.99 1q38 s THR 72 CO -0.09 0.00 0.00 0.35 -0.69 0.00 0.00 174.62 174.19 1q38 n THR 73 N -0.36 0.00 1.13 -0.82 -2.24 -1.13 -4.20 114.28 106.65 1q38 n THR 73 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1q38 n THR 73 Cb 0.66 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1q38 n THR 73 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1q38 n THR 74 N 0.00 0.00 -0.05 4.28 -2.24 -1.17 -2.67 114.28 112.43 1q38 n THR 74 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1q38 n THR 74 Cb 0.00 -0.21 -0.14 0.00 -2.10 0.00 0.00 70.33 67.88 1q38 n THR 74 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1q38 n SER 75 N -0.37 1.31 -1.03 3.42 2.88 -1.26 -4.97 113.62 113.59 1q38 n SER 75 Ca 0.00 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1q38 n SER 75 Cb 0.03 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 1q38 n SER 75 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1q38 n THR 76 N -3.16 -3.47 -1.98 2.46 -1.04 -1.09 -5.00 114.28 101.00 1q38 n THR 76 Ca -0.31 1.46 0.00 0.00 -2.04 0.00 0.00 64.05 63.16 1q38 n THR 76 Cb 1.06 -2.06 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 1q38 n THR 76 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1q38 n SER 77 N -1.16 0.00 -4.31 8.00 3.41 -1.26 -4.86 113.62 113.43 1q38 n SER 77 Ca 0.00 -1.49 -0.37 0.00 -0.26 0.00 0.00 58.87 56.74 1q38 n SER 77 Cb 0.06 -0.10 -0.13 0.00 -0.26 0.00 0.00 64.21 63.78 1q38 n SER 77 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1q38 s THR 78 N 0.00 3.87 -1.25 6.66 -4.23 -1.26 -4.89 115.64 114.54 1q38 s THR 78 Ca 0.00 -0.90 0.30 0.00 -1.18 0.00 0.00 61.69 59.91 1q38 s THR 78 Cb 0.00 -3.08 0.40 0.00 1.34 0.00 0.00 72.50 71.16 1q38 s THR 78 CO 0.00 -0.04 2.00 -0.81 -0.54 0.00 0.00 174.62 175.23 1q38 n PRO 79 N 4.84 0.25 0.00 3.99 -0.04 -1.26 -4.82 135.00 137.95 1q38 n PRO 79 Ca -0.14 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1q38 n PRO 79 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 1.38 0.93 6.70 0.55 0.00 -1.26 -5.04 105.19 108.44 1q38 n GLY 80 Ca 0.11 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 0.00 0.00 1.61 2.88 -1.26 -4.65 113.62 112.20 1q38 n SER 81 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1q38 n SER 81 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 0.00 0.00 -1.46 0.63 -1.26 -4.93 116.66 109.64 1q38 n ARG 82 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1q38 n ARG 82 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 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 -0.22 0.00 -3.04 6.15 7.64 -1.26 -5.11 113.62 117.78 1q38 n SER 83 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1q38 n SER 83 Cb 0.00 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.32 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 0.00 -3.19 -1.43 1.43 8.25 -1.26 -5.01 115.22 114.01 1q38 n HIS 84 Ca 0.00 -0.43 0.00 0.00 -0.26 0.00 0.00 57.72 57.03 1q38 n HIS 84 Cb 0.00 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 30.56 1q38 n HIS 84 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1q38 n HIS 85 N -3.89 0.00 -2.96 4.41 -0.00 -1.26 -5.07 115.22 106.46 1q38 n HIS 85 Ca 0.07 -0.02 -0.12 0.00 0.46 0.00 0.00 57.72 58.10 1q38 n HIS 85 Cb 0.28 -0.03 0.01 0.00 -0.12 0.00 0.00 29.99 30.13 1q38 n HIS 85 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1q38 n HIS 86 N -0.03 -3.33 -1.99 1.57 -0.00 -1.26 -4.86 115.22 105.31 1q38 n HIS 86 Ca 0.00 1.37 -0.42 0.00 0.46 0.00 0.00 57.72 59.13 1q38 n HIS 86 Cb 0.59 -3.62 -0.03 0.00 -0.12 0.00 0.00 29.99 26.81 1q38 n HIS 86 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1q38 s HIS 87 N -2.27 2.08 -0.15 1.57 3.76 -1.26 -4.87 115.29 114.14 1q38 s HIS 87 Ca 0.24 0.23 -0.08 0.00 -0.15 0.00 0.00 55.06 55.30 1q38 s HIS 87 Cb -0.06 -3.92 -0.07 0.00 1.11 0.00 0.00 32.58 29.65 1q38 s HIS 87 CO 0.77 -3.84 -0.20 1.58 -0.85 0.00 0.00 174.74 172.21 1q38 n HIS 88 N 6.78 0.00 1.75 1.40 -0.00 -1.26 -5.31 115.22 118.57 1q38 n HIS 88 Ca 0.17 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 58.04 1q38 n HIS 88 Cb 0.42 -0.55 0.74 0.00 -0.00 0.00 0.00 29.99 30.60 1q38 n HIS 88 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92