#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 2.95 0.00 0.03 1.85 -1.26 -4.74 116.66 115.49 1q38 n ARG 2 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 57.85 56.97 1q38 n ARG 2 Cb 0.00 -0.75 0.28 0.00 -1.05 0.00 0.00 32.46 30.94 1q38 n ARG 2 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1q38 n GLY 3 N 1.28 -0.79 5.08 2.89 0.00 -1.25 -4.97 105.19 107.41 1q38 n GLY 3 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.93 0.00 0.09 1.61 2.88 -1.26 -3.11 113.62 112.90 1q38 n SER 4 Ca 0.09 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.51 1q38 n SER 4 Cb 0.35 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.75 1q38 n SER 4 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1q38 h ASN 5 N 0.00 -0.22 -3.08 -3.46 -0.26 -2.02 -3.41 115.58 103.13 1q38 h ASN 5 Ca 0.00 0.02 -0.65 0.00 -0.56 0.00 0.00 56.30 55.11 1q38 h ASN 5 Cb 0.00 0.08 -0.35 0.00 -1.06 0.00 0.00 38.32 36.98 1q38 h ASN 5 CO 0.00 -0.13 -0.85 0.00 -1.06 0.00 0.00 177.43 175.39 1q38 s ALA 6 N -6.16 2.19 0.00 -0.83 0.00 -1.18 -5.09 121.76 110.69 1q38 s ALA 6 Ca -0.14 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1q38 s ALA 6 Cb 0.06 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 22.04 1q38 s ALA 6 CO 0.66 -0.36 0.00 -0.35 0.00 0.00 0.00 175.76 175.70 1q38 n PRO 7 N 4.66 0.00 -3.03 0.00 -0.04 -1.26 -3.92 135.00 131.41 1q38 n PRO 7 Ca -0.20 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.92 1q38 n PRO 7 Cb 0.50 -0.24 -0.06 0.00 -0.04 0.00 0.00 33.50 33.66 1q38 n PRO 7 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1q38 s GLN 8 N 0.00 4.17 0.00 0.54 -2.07 -1.26 -4.47 119.66 116.57 1q38 s GLN 8 Ca 0.00 0.88 0.00 0.00 -1.82 0.00 0.00 55.36 54.42 1q38 s GLN 8 Cb 0.00 -2.53 0.00 0.00 -1.09 0.00 0.00 33.01 29.39 1q38 s GLN 8 CO 0.00 0.19 0.00 -2.30 -1.32 0.00 0.00 175.29 171.86 1q38 n PRO 9 N -0.07 1.45 -3.40 9.60 -0.02 -1.26 -5.00 135.00 136.30 1q38 n PRO 9 Ca 0.03 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.24 1q38 n PRO 9 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.93 1q38 n PRO 9 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1q38 n SER 10 N 0.00 3.81 -4.66 2.55 7.64 -1.26 -5.09 113.62 116.61 1q38 n SER 10 Ca 0.00 -3.46 -0.30 0.00 1.01 0.00 0.00 58.87 56.12 1q38 n SER 10 Cb 0.00 -0.67 0.16 0.00 -1.01 0.00 0.00 64.21 62.70 1q38 n SER 10 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1q38 s HIS 11 N -2.52 1.88 0.15 1.43 -3.43 -1.26 -5.03 115.29 106.51 1q38 s HIS 11 Ca 0.40 1.53 -0.02 0.00 -0.80 0.00 0.00 55.06 56.18 1q38 s HIS 11 Cb 0.15 -3.21 -0.05 0.00 -1.43 0.00 0.00 32.58 28.05 1q38 s HIS 11 CO -0.01 -2.75 0.34 -1.50 -2.00 0.00 0.00 174.74 168.82 1q38 s ILE 12 N -2.72 5.23 0.23 -5.38 1.10 -1.26 -4.93 121.20 113.48 1q38 s ILE 12 Ca 0.65 -0.25 -0.07 0.00 -0.51 0.00 0.00 60.65 60.47 1q38 s ILE 12 Cb -0.21 -3.68 0.22 0.00 0.15 0.00 0.00 42.46 38.94 1q38 s ILE 12 CO 0.59 -0.03 1.68 -1.28 -2.11 0.00 0.00 174.94 173.78 1q38 h SER 13 N 2.50 -0.08 -4.22 4.50 0.87 -1.93 -2.68 113.55 112.51 1q38 h SER 13 Ca -0.47 0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.22 1q38 h SER 13 Cb 1.18 0.22 -0.21 0.00 -0.44 0.00 0.00 62.40 63.14 1q38 h SER 13 CO 0.71 -0.06 0.24 -1.59 -0.53 0.00 0.00 176.83 175.60 1q38 s LYS 14 N -6.08 0.84 -0.04 2.24 -2.85 -1.05 -4.48 119.74 108.31 1q38 s LYS 14 Ca -0.13 0.61 0.03 0.00 -1.00 0.00 0.00 55.97 55.49 1q38 s LYS 14 Cb 0.20 0.40 -0.03 0.00 -2.06 0.00 0.00 37.83 36.35 1q38 s LYS 14 CO 0.75 -0.18 -0.12 -0.47 0.10 0.00 0.00 175.35 175.43 1q38 s TYR 15 N -0.30 2.77 -0.17 1.78 6.14 -0.84 -1.20 117.35 125.53 1q38 s TYR 15 Ca -0.03 -0.11 -0.01 0.00 0.64 0.00 0.00 57.07 57.56 1q38 s TYR 15 Cb -0.03 -1.64 -0.01 0.00 0.42 0.00 0.00 41.96 40.70 1q38 s TYR 15 CO 0.03 0.24 -0.11 0.42 0.64 0.00 0.00 175.55 176.77 1q38 s ILE 16 N -0.78 3.01 -0.29 3.14 -1.09 -0.12 -0.76 121.20 124.31 1q38 s ILE 16 Ca 0.12 -0.65 -0.06 0.00 -2.23 0.00 0.00 60.65 57.84 1q38 s ILE 16 Cb -0.11 -2.30 0.01 0.00 -1.58 0.00 0.00 42.46 38.49 1q38 s ILE 16 CO 0.02 0.49 0.06 -0.22 -1.23 0.00 0.00 174.94 174.06 1q38 s LEU 17 N 0.85 3.82 -0.15 2.97 0.20 -0.02 -0.49 118.68 125.86 1q38 s LEU 17 Ca -0.03 -0.78 -0.02 0.00 0.69 0.00 0.00 54.13 53.99 1q38 s LEU 17 Cb -0.15 -1.85 -0.02 0.00 -0.43 0.00 0.00 46.19 43.74 1q38 s LEU 17 CO 0.00 -0.20 -0.09 -0.13 -0.29 0.00 0.00 176.35 175.64 1q38 s ARG 18 N 1.46 3.48 -0.03 1.98 0.52 -0.46 -1.48 118.95 124.43 1q38 s ARG 18 Ca 0.02 -0.62 -0.09 0.00 -0.52 0.00 0.00 55.73 54.51 1q38 s ARG 18 Cb -0.17 -2.76 0.01 0.00 0.52 0.00 0.00 34.95 32.55 1q38 s ARG 18 CO 0.02 0.19 0.20 1.67 0.02 0.00 0.00 175.30 177.40 1q38 s TRP 19 N 0.44 -0.09 -0.08 -0.53 -2.14 -1.05 -0.75 118.94 114.75 1q38 s TRP 19 Ca -0.07 0.16 -0.16 0.00 2.66 0.00 0.00 56.10 58.69 1q38 s TRP 19 Cb -0.15 0.02 0.03 0.00 -3.10 0.00 0.00 33.47 30.27 1q38 s TRP 19 CO 0.04 -0.26 0.39 0.50 -2.66 0.00 0.00 176.95 174.95 1q38 s ARG 20 N -0.95 0.62 -0.26 3.25 3.00 -1.04 -1.63 118.95 121.95 1q38 s ARG 20 Ca -0.10 0.18 -0.30 0.00 -1.00 0.00 0.00 55.73 54.50 1q38 s ARG 20 Cb -0.05 0.29 -0.07 0.00 0.00 0.00 0.00 34.95 35.12 1q38 s ARG 20 CO 0.02 -0.14 2.22 -2.30 0.00 0.00 0.00 175.30 175.10 1q38 n PRO 21 N 1.93 1.70 0.09 5.12 -0.02 -1.26 -0.50 135.00 142.05 1q38 n PRO 21 Ca -0.18 0.45 -0.02 0.00 -2.02 0.00 0.00 63.50 61.74 1q38 n PRO 21 Cb 0.57 -3.04 0.23 0.00 -0.02 0.00 0.00 33.50 31.24 1q38 n PRO 21 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1q38 h LYS 22 N 14.50 0.27 0.00 -0.52 1.57 -1.01 0.77 116.57 132.15 1q38 h LYS 22 Ca -0.37 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1q38 h LYS 22 Cb 1.26 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1q38 h LYS 22 CO 0.98 0.61 -0.05 -0.97 -0.57 0.00 0.00 179.45 179.45 1q38 h ASN 23 N 0.23 0.00 -1.23 0.86 -0.00 -1.84 -3.38 115.58 110.21 1q38 h ASN 23 Ca 0.02 -0.00 -0.39 0.00 -0.00 0.00 0.00 56.30 55.93 1q38 h ASN 23 Cb 0.77 0.00 -0.27 0.00 -0.00 0.00 0.00 38.32 38.82 1q38 h ASN 23 CO 0.06 0.00 -0.80 -1.20 -0.00 0.00 0.00 177.43 175.49 1q38 n SER 24 N -2.89 -1.45 -4.46 1.15 7.64 -0.95 -5.08 113.62 107.58 1q38 n SER 24 Ca 0.04 -2.89 -0.41 0.00 1.01 0.00 0.00 58.87 56.62 1q38 n SER 24 Cb 0.51 0.54 0.01 0.00 -1.01 0.00 0.00 64.21 64.26 1q38 n SER 24 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1q38 n VAL 25 N 1.88 1.84 0.00 0.44 0.24 0.22 -4.39 118.33 118.57 1q38 n VAL 25 Ca 0.18 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1q38 n VAL 25 Cb 0.56 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 1q38 n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q38 n GLY 26 N 1.78 -1.83 1.22 7.63 0.00 -1.26 -4.98 105.19 107.76 1q38 n GLY 26 Ca 0.11 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.98 1q38 n GLY 26 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1q38 n ARG 27 N 0.00 -3.28 -2.48 1.61 0.63 -1.26 -4.88 116.66 107.00 1q38 n ARG 27 Ca 0.00 2.52 -0.14 0.00 -0.92 0.00 0.00 57.85 59.31 1q38 n ARG 27 Cb 0.00 -3.08 0.04 0.00 0.45 0.00 0.00 32.46 29.87 1q38 n ARG 27 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 1q38 n TRP 28 N -2.05 -2.23 -4.03 -0.14 7.02 -1.26 -4.66 117.44 110.08 1q38 n TRP 28 Ca 0.00 -1.48 -0.09 0.00 -1.02 0.00 0.00 57.50 54.91 1q38 n TRP 28 Cb 0.29 -0.37 -0.11 0.00 -2.42 0.00 0.00 31.31 28.71 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 -3.76 0.46 -0.03 -0.99 1.02 -0.64 -4.92 119.74 110.88 1q38 s LYS 29 Ca 0.38 -0.84 0.06 0.00 0.02 0.00 0.00 55.97 55.59 1q38 s LYS 29 Cb -0.03 0.05 -0.01 0.00 -0.52 0.00 0.00 37.83 37.32 1q38 s LYS 29 CO 0.24 -0.05 -0.20 -1.83 -0.92 0.00 0.00 175.35 172.60 1q38 s GLU 30 N -2.27 1.76 -0.15 1.68 4.04 -1.25 -2.54 118.70 119.96 1q38 s GLU 30 Ca -0.07 -0.71 -0.04 0.00 0.04 0.00 0.00 54.97 54.19 1q38 s GLU 30 Cb -0.04 -1.63 0.06 0.00 0.02 0.00 0.00 34.13 32.54 1q38 s GLU 30 CO -0.03 0.38 0.12 0.00 -1.84 0.00 0.00 175.26 173.88 1q38 s ALA 31 N -0.31 0.23 -0.19 -0.84 0.00 -0.55 -4.92 121.76 115.17 1q38 s ALA 31 Ca 0.04 -0.07 -0.16 0.00 0.00 0.00 0.00 51.96 51.76 1q38 s ALA 31 Cb -0.09 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 1q38 s ALA 31 CO 0.00 -1.05 0.42 0.99 0.00 0.00 0.00 175.76 176.12 1q38 s THR 32 N 2.19 5.19 -0.21 0.00 2.01 -1.25 -0.84 115.64 122.73 1q38 s THR 32 Ca 0.03 0.76 -0.04 0.00 0.31 0.00 0.00 61.69 62.76 1q38 s THR 32 Cb -0.15 -3.75 0.07 0.00 0.01 0.00 0.00 72.50 68.68 1q38 s THR 32 CO -0.09 0.26 0.09 -0.63 -0.69 0.00 0.00 174.62 173.56 1q38 s ILE 33 N 1.18 0.12 -0.28 1.82 1.01 0.06 -4.90 121.20 120.22 1q38 s ILE 33 Ca 0.21 -0.47 -0.28 0.00 0.00 0.00 0.00 60.65 60.10 1q38 s ILE 33 Cb -0.15 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 1q38 s ILE 33 CO 0.08 -0.39 2.01 -2.84 0.00 0.00 0.00 174.94 173.79 1q38 s PRO 34 N 2.03 3.23 -0.97 2.79 0.02 -1.26 -1.98 135.00 138.86 1q38 s PRO 34 Ca 0.03 1.72 0.00 0.00 0.02 0.00 0.00 61.00 62.77 1q38 s PRO 34 Cb -0.16 -4.29 0.00 0.00 0.02 0.00 0.00 34.50 30.07 1q38 s PRO 34 CO -0.16 -1.99 0.00 0.41 -0.33 0.00 0.00 177.00 174.93 1q38 n GLY 35 N 5.59 0.27 2.18 0.52 0.00 -1.01 -4.10 105.19 108.64 1q38 n GLY 35 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.40 -4.92 0.06 1.61 -0.00 -1.19 -4.84 115.22 103.55 1q38 n HIS 36 Ca -0.11 2.95 -0.13 0.00 0.46 0.00 0.00 57.72 60.89 1q38 n HIS 36 Cb 0.45 -3.76 -0.13 0.00 -0.12 0.00 0.00 29.99 26.42 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 4.29 0.24 0.00 0.27 4.07 -1.89 -3.50 115.31 118.79 1q38 h LEU 37 Ca 0.00 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.66 1q38 h LEU 37 Cb 0.00 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.66 1q38 h LEU 37 CO 0.00 1.24 0.00 -0.46 -1.08 0.00 0.00 178.44 178.14 1q38 n ASN 38 N -3.40 0.00 -4.57 -0.43 2.04 -1.26 -5.09 115.26 102.54 1q38 n ASN 38 Ca -0.09 0.00 -0.42 0.00 -0.44 0.00 0.00 54.58 53.63 1q38 n ASN 38 Cb 1.01 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 38.23 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1q38 s SER 39 N 2.00 6.15 -0.17 0.53 0.15 -1.26 -4.97 113.70 116.13 1q38 s SER 39 Ca 0.00 0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.88 1q38 s SER 39 Cb 0.00 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.77 1q38 s SER 39 CO 0.00 -1.70 -0.18 -0.47 1.20 0.00 0.00 173.24 172.09 1q38 s TYR 40 N 5.97 2.77 0.00 3.44 5.04 -1.26 -5.12 117.35 128.20 1q38 s TYR 40 Ca 0.51 -1.33 0.08 0.00 -2.44 0.00 0.00 57.07 53.88 1q38 s TYR 40 Cb -0.10 -1.90 -0.02 0.00 0.35 0.00 0.00 41.96 40.28 1q38 s TYR 40 CO 0.24 -0.64 -0.26 0.99 -1.34 0.00 0.00 175.55 174.55 1q38 s THR 41 N 1.06 2.13 -0.10 4.34 2.01 -1.26 -5.12 115.64 118.70 1q38 s THR 41 Ca -0.01 -1.19 -0.20 0.00 0.31 0.00 0.00 61.69 60.60 1q38 s THR 41 Cb -0.14 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1q38 s THR 41 CO -0.06 0.50 0.56 -0.63 -0.69 0.00 0.00 174.62 174.30 1q38 s ILE 42 N -0.69 5.13 0.22 1.82 -1.09 -1.26 -5.07 121.20 120.26 1q38 s ILE 42 Ca 0.11 1.13 0.09 0.00 -2.23 0.00 0.00 60.65 59.74 1q38 s ILE 42 Cb -0.10 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 1q38 s ILE 42 CO 0.00 0.30 -0.03 -0.54 -1.23 0.00 0.00 174.94 173.45 1q38 s LYS 43 N 0.65 2.25 0.00 2.79 1.02 -1.26 -4.83 119.74 120.36 1q38 s LYS 43 Ca 0.30 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 55.00 1q38 s LYS 43 Cb -0.16 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 1q38 s LYS 43 CO 0.13 0.41 0.00 0.41 -0.92 0.00 0.00 175.35 175.38 1q38 n GLY 44 N -0.42 1.36 3.72 -3.33 0.00 -1.26 -5.15 105.19 100.11 1q38 n GLY 44 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 2.27 0.11 0.99 1.02 -1.26 -5.16 118.68 116.65 1q38 s LEU 45 Ca 0.00 -1.65 -0.01 0.00 0.02 0.00 0.00 54.13 52.50 1q38 s LEU 45 Cb 0.00 -0.64 -0.04 0.00 0.02 0.00 0.00 46.19 45.53 1q38 s LEU 45 CO 0.00 -0.85 0.02 -1.59 0.02 0.00 0.00 176.35 173.95 1q38 s LYS 46 N -3.84 0.84 -0.31 1.70 0.00 -1.26 -4.91 119.74 111.96 1q38 s LYS 46 Ca 0.10 -1.38 -0.28 0.00 0.00 0.00 0.00 55.97 54.41 1q38 s LYS 46 Cb 0.02 0.18 -0.03 0.00 0.00 0.00 0.00 37.83 38.00 1q38 s LYS 46 CO 0.05 -0.20 1.91 -2.14 0.00 0.00 0.00 175.35 174.97 1q38 s PRO 47 N -3.99 3.25 0.00 1.78 0.02 -1.26 -2.55 135.00 132.25 1q38 s PRO 47 Ca 0.18 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.75 1q38 s PRO 47 Cb 0.07 -4.25 0.00 0.00 0.02 0.00 0.00 34.50 30.35 1q38 s PRO 47 CO -0.02 -1.96 0.00 0.41 -0.33 0.00 0.00 177.00 175.11 1q38 n GLY 48 N 5.52 0.91 3.28 0.52 0.00 -1.26 -4.96 105.19 109.19 1q38 n GLY 48 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 1q38 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q38 s VAL 49 N -1.90 2.03 -0.07 1.61 0.11 -1.06 -5.09 120.40 116.03 1q38 s VAL 49 Ca 0.00 -1.07 0.02 0.00 -2.93 0.00 0.00 61.98 58.00 1q38 s VAL 49 Cb 0.00 -1.70 -0.03 0.00 -1.53 0.00 0.00 36.38 33.12 1q38 s VAL 49 CO 0.00 0.57 -0.11 0.54 -3.33 0.00 0.00 175.10 172.77 1q38 s VAL 50 N -0.33 3.31 0.48 2.04 0.11 -1.26 -4.53 120.40 120.22 1q38 s VAL 50 Ca 0.02 -0.62 0.06 0.00 -2.93 0.00 0.00 61.98 58.51 1q38 s VAL 50 Cb -0.12 -2.34 -0.01 0.00 -1.53 0.00 0.00 36.38 32.39 1q38 s VAL 50 CO 0.02 0.58 0.30 -0.31 -3.33 0.00 0.00 175.10 172.36 1q38 s TYR 51 N -0.53 2.17 -0.12 1.54 1.51 -0.00 -0.43 117.35 121.48 1q38 s TYR 51 Ca 0.07 -0.70 0.01 0.00 -1.01 0.00 0.00 57.07 55.45 1q38 s TYR 51 Cb -0.12 -1.96 -0.01 0.00 -0.11 0.00 0.00 41.96 39.76 1q38 s TYR 51 CO 0.02 -0.15 -0.17 -2.00 -1.11 0.00 0.00 175.55 172.14 1q38 s GLU 52 N -4.11 3.26 -0.10 -0.62 2.12 0.34 -1.45 118.70 118.15 1q38 s GLU 52 Ca 0.37 -0.75 0.03 0.00 0.36 0.00 0.00 54.97 54.97 1q38 s GLU 52 Cb -0.00 -2.53 -0.01 0.00 0.26 0.00 0.00 34.13 31.85 1q38 s GLU 52 CO 0.22 0.18 -0.18 0.20 -0.54 0.00 0.00 175.26 175.14 1q38 s GLY 53 N 0.40 1.44 -0.16 -1.50 0.00 -0.60 -2.49 107.32 104.41 1q38 s GLY 53 Ca -0.13 -0.95 -0.02 0.00 0.00 0.00 0.00 44.72 43.62 1q38 s GLY 53 CO 0.06 -0.38 0.01 1.20 0.00 0.00 0.00 173.10 173.99 1q38 s GLN 54 N 0.12 0.82 -0.44 2.90 -0.21 0.08 -0.51 119.66 122.42 1q38 s GLN 54 Ca -0.09 -0.31 -0.15 0.00 0.02 0.00 0.00 55.36 54.84 1q38 s GLN 54 Cb -0.15 -1.79 0.05 0.00 1.00 0.00 0.00 33.01 32.11 1q38 s GLN 54 CO 0.06 -0.50 0.33 -0.51 -2.12 0.00 0.00 175.29 172.55 1q38 s LEU 55 N 1.84 5.32 -0.33 2.90 1.43 -0.50 -1.35 118.68 127.99 1q38 s LEU 55 Ca 0.01 -1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 51.86 1q38 s LEU 55 Cb -0.15 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 1q38 s LEU 55 CO -0.07 -0.54 0.20 -0.63 0.23 0.00 0.00 176.35 175.54 1q38 s ILE 56 N 1.64 5.01 -0.26 -0.59 1.09 0.35 -2.34 121.20 126.11 1q38 s ILE 56 Ca 0.04 -0.28 -0.27 0.00 -1.10 0.00 0.00 60.65 59.04 1q38 s ILE 56 Cb -0.22 -3.56 0.00 0.00 -1.06 0.00 0.00 42.46 37.63 1q38 s ILE 56 CO 0.08 0.03 0.94 -0.94 -0.10 0.00 0.00 174.94 174.95 1q38 s SER 57 N 1.68 6.93 -0.24 3.58 1.04 0.85 -0.95 113.70 126.60 1q38 s SER 57 Ca 0.06 1.12 -0.05 0.00 0.48 0.00 0.00 55.95 57.56 1q38 s SER 57 Cb -0.17 -2.49 -0.01 0.00 0.10 0.00 0.00 66.02 63.45 1q38 s SER 57 CO 0.09 -0.64 -0.01 -0.63 0.98 0.00 0.00 173.24 173.03 1q38 s ILE 58 N 3.10 3.59 0.43 -1.02 1.01 -0.34 -0.02 121.20 127.95 1q38 s ILE 58 Ca 0.39 -0.48 -0.00 0.00 0.00 0.00 0.00 60.65 60.56 1q38 s ILE 58 Cb -0.15 -2.68 0.09 0.00 0.01 0.00 0.00 42.46 39.73 1q38 s ILE 58 CO 0.09 0.36 0.59 1.67 0.00 0.00 0.00 174.94 177.64 1q38 n GLN 59 N 4.82 0.18 0.25 2.79 0.00 0.03 -2.54 117.38 122.91 1q38 n GLN 59 Ca -0.17 -1.59 0.17 0.00 -0.00 0.00 0.00 57.00 55.41 1q38 n GLN 59 Cb 0.50 -0.39 0.86 0.00 0.00 0.00 0.00 30.24 31.21 1q38 n GLN 59 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 1q38 h GLN 60 N 0.00 0.00 -0.01 3.69 4.20 -1.98 -0.10 115.11 120.91 1q38 h GLN 60 Ca -0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1q38 h GLN 60 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1q38 h GLN 60 CO 0.21 0.00 -0.44 2.48 -0.67 0.00 0.00 178.83 180.41 1q38 n TYR 61 N -2.68 0.00 0.00 2.96 4.11 -1.26 -5.09 117.16 115.20 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 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.43 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 1.28 0.96 3.35 -7.48 0.00 -0.05 -5.08 105.19 98.18 1q38 n GLY 62 Ca 0.07 -2.29 -0.35 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.10 -1.97 -1.27 1.61 1.44 -1.26 -0.79 115.22 111.90 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 -1.76 0.00 0.00 0.12 0.00 0.00 29.99 28.35 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 -0.55 0.00 -3.76 -1.40 10.64 0.98 -4.73 117.38 118.55 1q38 n GLN 64 Ca 0.06 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.11 1q38 n GLN 64 Cb 0.53 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.78 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 0.18 -0.03 2.61 2.12 -1.13 -4.94 118.70 117.51 1q38 s GLU 65 Ca 0.00 0.39 0.01 0.00 0.36 0.00 0.00 54.97 55.74 1q38 s GLU 65 Cb 0.00 -0.05 0.01 0.00 0.26 0.00 0.00 34.13 34.35 1q38 s GLU 65 CO 0.00 -0.11 -0.05 0.08 -0.54 0.00 0.00 175.26 174.64 1q38 s VAL 66 N 0.81 0.49 -0.01 3.70 1.01 -1.26 -0.10 120.40 125.04 1q38 s VAL 66 Ca -0.06 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1q38 s VAL 66 Cb -0.07 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.83 1q38 s VAL 66 CO -0.05 0.19 -0.02 -0.89 0.00 0.00 0.00 175.10 174.33 1q38 s THR 67 N 0.52 0.24 -0.08 3.92 2.01 -0.99 -4.96 115.64 116.31 1q38 s THR 67 Ca -0.07 -0.08 -0.00 0.00 0.31 0.00 0.00 61.69 61.85 1q38 s THR 67 Cb -0.10 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1q38 s THR 67 CO -0.00 0.09 -0.05 -0.13 -0.69 0.00 0.00 174.62 173.84 1q38 s ARG 68 N 0.22 2.84 0.11 4.92 0.52 -1.26 -1.41 118.95 124.89 1q38 s ARG 68 Ca -0.02 -0.51 -0.09 0.00 -0.52 0.00 0.00 55.73 54.59 1q38 s ARG 68 Cb -0.05 -2.65 -0.00 0.00 0.52 0.00 0.00 34.95 32.77 1q38 s ARG 68 CO -0.01 0.66 0.23 -0.59 0.02 0.00 0.00 175.30 175.62 1q38 s PHE 69 N -0.79 0.21 0.07 -0.53 -0.71 0.34 -5.00 117.98 111.56 1q38 s PHE 69 Ca 0.12 -0.61 -0.17 0.00 -1.04 0.00 0.00 56.93 55.23 1q38 s PHE 69 Cb -0.11 -0.04 -0.06 0.00 -1.21 0.00 0.00 43.02 41.59 1q38 s PHE 69 CO 0.02 -0.61 0.51 -0.51 -1.34 0.00 0.00 175.22 173.29 1q38 s ASP 70 N -2.89 6.93 -0.03 1.98 1.11 -1.26 -1.56 116.67 120.95 1q38 s ASP 70 Ca 0.09 1.12 0.08 0.00 0.18 0.00 0.00 52.55 54.01 1q38 s ASP 70 Cb 0.04 -2.31 -0.02 0.00 1.07 0.00 0.00 42.92 41.71 1q38 s ASP 70 CO -0.08 0.25 -0.26 0.12 1.18 0.00 0.00 175.17 176.39 1q38 s PHE 71 N -1.19 2.32 0.23 4.23 2.19 -0.53 -4.84 117.98 120.40 1q38 s PHE 71 Ca 0.30 -0.49 -0.13 0.00 0.33 0.00 0.00 56.93 56.93 1q38 s PHE 71 Cb -0.18 -1.50 0.00 0.00 -1.31 0.00 0.00 43.02 40.03 1q38 s PHE 71 CO 0.17 -0.07 0.47 0.95 1.83 0.00 0.00 175.22 178.57 1q38 s THR 72 N -0.52 0.01 0.02 0.12 -4.23 -1.26 -0.82 115.64 108.96 1q38 s THR 72 Ca 0.07 -1.29 -0.02 0.00 -1.18 0.00 0.00 61.69 59.27 1q38 s THR 72 Cb -0.11 -2.05 -0.01 0.00 1.34 0.00 0.00 72.50 71.68 1q38 s THR 72 CO -0.00 -0.06 -0.04 1.07 -0.54 0.00 0.00 174.62 175.05 1q38 n THR 73 N -0.36 0.67 -0.07 3.99 5.66 -1.26 -4.93 114.28 117.99 1q38 n THR 73 Ca -0.04 0.23 -0.07 0.00 -3.05 0.00 0.00 64.05 61.12 1q38 n THR 73 Cb 0.62 -1.45 -0.10 0.00 -1.55 0.00 0.00 70.33 67.86 1q38 n THR 73 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1q38 n THR 74 N -3.13 0.89 -2.46 1.09 -2.24 -1.26 -4.84 114.28 102.33 1q38 n THR 74 Ca -0.02 -0.51 -0.38 0.00 -2.27 0.00 0.00 64.05 60.87 1q38 n THR 74 Cb 0.06 -0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 67.52 1q38 n THR 74 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1q38 s SER 75 N -4.78 6.25 -0.49 3.42 0.15 -1.26 -4.93 113.70 112.06 1q38 s SER 75 Ca -0.09 -1.32 -0.31 0.00 0.70 0.00 0.00 55.95 54.92 1q38 s SER 75 Cb 0.04 -2.57 -0.11 0.00 -1.71 0.00 0.00 66.02 61.67 1q38 s SER 75 CO 0.50 -1.74 2.35 0.41 1.20 0.00 0.00 173.24 175.96 1q38 n THR 76 N 7.07 0.09 -3.15 6.45 -1.04 -1.26 -4.83 114.28 117.61 1q38 n THR 76 Ca 0.35 -0.39 0.04 0.00 -2.04 0.00 0.00 64.05 62.01 1q38 n THR 76 Cb 0.50 -1.86 -0.00 0.00 -1.82 0.00 0.00 70.33 67.15 1q38 n THR 76 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1q38 s SER 77 N 9.14 -1.52 -0.40 8.00 0.15 -1.26 -5.08 113.70 122.73 1q38 s SER 77 Ca 1.10 0.25 0.08 0.00 0.70 0.00 0.00 55.95 58.08 1q38 s SER 77 Cb -0.68 1.99 0.25 0.00 -1.71 0.00 0.00 66.02 65.87 1q38 s SER 77 CO 0.41 -0.28 0.57 0.41 1.20 0.00 0.00 173.24 175.55 1q38 n THR 78 N 5.40 -0.61 -0.51 6.45 -1.04 -1.26 -4.67 114.28 118.04 1q38 n THR 78 Ca 0.05 -3.73 0.00 0.00 -2.04 0.00 0.00 64.05 58.32 1q38 n THR 78 Cb 0.54 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.53 1q38 n THR 78 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1q38 n PRO 79 N 1.41 0.14 -2.42 -2.82 -0.02 -1.26 -4.80 135.00 125.24 1q38 n PRO 79 Ca 0.20 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.63 1q38 n PRO 79 Cb 0.54 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.99 1q38 n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q38 n GLY 80 N 4.08 -4.88 7.00 -1.23 0.00 -1.26 -4.82 105.19 104.09 1q38 n GLY 80 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 46.02 47.42 1q38 n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1q38 n SER 81 N 1.37 0.00 0.00 1.61 7.64 -1.26 -4.91 113.62 118.07 1q38 n SER 81 Ca -0.34 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.54 1q38 n SER 81 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1q38 n SER 81 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1q38 n ARG 82 N 0.95 0.00 -0.36 1.43 1.74 -1.26 -4.74 116.66 114.42 1q38 n ARG 82 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1q38 n ARG 82 Cb 0.00 0.00 0.28 0.00 -1.02 0.00 0.00 32.46 31.72 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 -1.92 -2.87 -4.79 0.55 7.64 -1.26 -5.02 113.62 105.95 1q38 n SER 83 Ca 0.00 -0.49 -0.32 0.00 1.01 0.00 0.00 58.87 59.06 1q38 n SER 83 Cb 0.00 -1.15 -0.07 0.00 -1.01 0.00 0.00 64.21 61.98 1q38 n SER 83 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1q38 s HIS 84 N -2.27 3.28 0.00 1.43 -3.43 -1.26 -4.96 115.29 108.08 1q38 s HIS 84 Ca 0.69 0.19 0.00 0.00 -0.80 0.00 0.00 55.06 55.13 1q38 s HIS 84 Cb -0.20 -1.72 0.00 0.00 -1.43 0.00 0.00 32.58 29.23 1q38 s HIS 84 CO 0.62 0.55 0.00 0.72 -2.00 0.00 0.00 174.74 174.63 1q38 n HIS 85 N 1.02 -2.07 -0.33 0.38 8.25 -1.26 -4.93 115.22 116.28 1q38 n HIS 85 Ca -0.12 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.43 1q38 n HIS 85 Cb 0.52 0.46 0.32 0.00 1.12 0.00 0.00 29.99 32.42 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 -2.39 1.26 -2.85 4.41 -0.00 -1.26 -4.93 115.22 109.45 1q38 n HIS 86 Ca 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 57.72 57.20 1q38 n HIS 86 Cb 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 29.99 29.81 1q38 n HIS 86 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1q38 n HIS 87 N 1.11 -2.43 -3.75 1.57 -0.00 -1.26 -5.14 115.22 105.32 1q38 n HIS 87 Ca 0.23 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.80 1q38 n HIS 87 Cb 0.76 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.60 1q38 n HIS 87 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1q38 s HIS 88 N 1.13 -0.04 -1.66 4.41 2.46 -1.26 -5.13 115.29 115.21 1q38 s HIS 88 Ca 0.00 0.26 0.13 0.00 0.47 0.00 0.00 55.06 55.93 1q38 s HIS 88 Cb 0.00 -0.20 0.10 0.00 -0.13 0.00 0.00 32.58 32.35 1q38 s HIS 88 CO 0.00 -0.13 0.92 1.58 -2.47 0.00 0.00 174.74 174.64