#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 2.85 0.00 0.03 3.52 -1.26 -5.13 118.95 118.95 1q38 s ARG 2 Ca 0.00 -1.23 0.00 0.00 -0.13 0.00 0.00 55.73 54.37 1q38 s ARG 2 Cb 0.00 -2.73 0.00 0.00 -1.56 0.00 0.00 34.95 30.66 1q38 s ARG 2 CO 0.00 -0.20 0.00 0.41 -0.81 0.00 0.00 175.30 174.70 1q38 n GLY 3 N -1.78 4.90 3.07 8.12 0.00 -1.26 -5.17 105.19 113.07 1q38 n GLY 3 Ca 0.06 -1.53 -0.19 0.00 0.00 0.00 0.00 46.02 44.36 1q38 n GLY 3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q38 s SER 4 N 0.35 1.29 -0.14 1.61 1.04 -1.26 -5.05 113.70 111.54 1q38 s SER 4 Ca 0.00 -0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.08 1q38 s SER 4 Cb 0.00 -0.12 -0.25 0.00 0.10 0.00 0.00 66.02 65.75 1q38 s SER 4 CO 0.00 0.09 0.31 0.59 0.98 0.00 0.00 173.24 175.20 1q38 n ASN 5 N 2.55 2.09 -3.39 7.02 3.02 -1.26 -4.92 115.26 120.37 1q38 n ASN 5 Ca -0.15 0.21 -0.04 0.00 -0.03 0.00 0.00 54.58 54.57 1q38 n ASN 5 Cb 0.56 -0.85 -0.06 0.00 -0.61 0.00 0.00 39.78 38.82 1q38 n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q38 s ALA 6 N -2.54 -1.57 0.36 5.41 0.00 -1.26 -5.15 121.76 117.01 1q38 s ALA 6 Ca -0.24 1.49 -0.28 0.00 0.00 0.00 0.00 51.96 52.93 1q38 s ALA 6 Cb 0.07 -1.76 -0.10 0.00 0.00 0.00 0.00 23.12 21.33 1q38 s ALA 6 CO 0.74 -1.14 1.32 -1.25 0.00 0.00 0.00 175.76 175.43 1q38 s PRO 7 N 2.70 4.21 -0.13 0.00 0.04 -1.26 -5.00 135.00 135.55 1q38 s PRO 7 Ca 0.10 2.23 -0.20 0.00 0.04 0.00 0.00 61.00 63.17 1q38 s PRO 7 Cb -0.14 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 1q38 s PRO 7 CO -0.17 -0.32 0.55 -0.65 0.04 0.00 0.00 177.00 176.45 1q38 s GLN 8 N -1.97 4.33 -0.10 4.56 -0.21 -1.26 -5.00 119.66 120.01 1q38 s GLN 8 Ca 0.52 0.56 -0.19 0.00 0.02 0.00 0.00 55.36 56.26 1q38 s GLN 8 Cb -0.40 -3.47 -0.16 0.00 1.00 0.00 0.00 33.01 29.98 1q38 s GLN 8 CO 0.53 0.05 0.61 -1.00 -2.12 0.00 0.00 175.29 173.36 1q38 h PRO 9 N 6.92 -0.06 -5.96 2.91 0.13 -2.01 -3.45 132.00 130.47 1q38 h PRO 9 Ca -0.39 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.13 1q38 h PRO 9 Cb 1.18 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 1q38 h PRO 9 CO 0.76 0.51 -0.27 -1.12 -0.23 0.00 0.00 178.00 177.65 1q38 s SER 10 N -5.83 6.69 0.20 1.44 0.01 -1.26 -5.09 113.70 109.86 1q38 s SER 10 Ca -0.12 0.83 0.04 0.00 1.31 0.00 0.00 55.95 58.01 1q38 s SER 10 Cb -0.01 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 64.01 1q38 s SER 10 CO 0.45 0.31 0.15 0.00 0.41 0.00 0.00 173.24 174.56 1q38 n HIS 11 N 1.63 -0.38 -4.00 2.43 1.44 -1.26 -5.13 115.22 109.94 1q38 n HIS 11 Ca -0.14 -1.62 -0.31 0.00 -2.01 0.00 0.00 57.72 53.65 1q38 n HIS 11 Cb 0.53 0.14 -0.06 0.00 0.12 0.00 0.00 29.99 30.73 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 -2.74 4.86 0.20 0.61 2.07 -1.26 -5.00 121.20 119.94 1q38 s ILE 12 Ca 0.22 -0.62 -0.12 0.00 -1.41 0.00 0.00 60.65 58.72 1q38 s ILE 12 Cb 0.01 -3.35 0.13 0.00 0.13 0.00 0.00 42.46 39.38 1q38 s ILE 12 CO 0.15 0.13 1.71 0.28 -1.91 0.00 0.00 174.94 175.31 1q38 h SER 13 N 3.23 -0.02 -4.38 4.50 0.02 -1.94 -3.04 113.55 111.92 1q38 h SER 13 Ca -0.46 0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.54 1q38 h SER 13 Cb 1.16 0.14 -0.20 0.00 0.14 0.00 0.00 62.40 63.64 1q38 h SER 13 CO 0.70 0.01 0.12 -1.59 -1.14 0.00 0.00 176.83 174.93 1q38 s LYS 14 N -6.13 0.90 -0.09 3.45 -2.85 -1.03 -4.56 119.74 109.43 1q38 s LYS 14 Ca -0.13 0.68 0.05 0.00 -1.00 0.00 0.00 55.97 55.57 1q38 s LYS 14 Cb 0.16 0.43 -0.00 0.00 -2.06 0.00 0.00 37.83 36.36 1q38 s LYS 14 CO 0.73 -0.18 -0.24 -0.47 0.10 0.00 0.00 175.35 175.29 1q38 s TYR 15 N -0.24 2.53 -0.11 1.78 6.14 -0.85 -2.33 117.35 124.28 1q38 s TYR 15 Ca -0.04 -0.90 0.01 0.00 0.64 0.00 0.00 57.07 56.78 1q38 s TYR 15 Cb -0.03 -1.67 -0.02 0.00 0.42 0.00 0.00 41.96 40.66 1q38 s TYR 15 CO 0.04 -0.33 -0.13 0.42 0.64 0.00 0.00 175.55 176.19 1q38 s ILE 16 N 0.14 3.06 -0.29 3.14 -1.09 0.03 -0.40 121.20 125.79 1q38 s ILE 16 Ca -0.13 -0.68 -0.06 0.00 -2.23 0.00 0.00 60.65 57.56 1q38 s ILE 16 Cb -0.16 -2.26 0.01 0.00 -1.58 0.00 0.00 42.46 38.47 1q38 s ILE 16 CO 0.07 0.54 0.06 -0.22 -1.23 0.00 0.00 174.94 174.16 1q38 s LEU 17 N 0.03 3.79 -0.13 2.97 2.96 0.66 -1.14 118.68 127.82 1q38 s LEU 17 Ca -0.04 -0.78 0.01 0.00 -0.22 0.00 0.00 54.13 53.10 1q38 s LEU 17 Cb -0.14 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 1q38 s LEU 17 CO 0.04 -0.19 -0.16 -0.13 -1.32 0.00 0.00 176.35 174.59 1q38 s ARG 18 N 1.46 3.27 0.12 1.98 0.52 -0.59 -1.05 118.95 124.65 1q38 s ARG 18 Ca 0.02 -0.74 -0.15 0.00 -0.52 0.00 0.00 55.73 54.33 1q38 s ARG 18 Cb -0.17 -2.56 0.03 0.00 0.52 0.00 0.00 34.95 32.77 1q38 s ARG 18 CO 0.01 0.15 0.37 1.67 0.02 0.00 0.00 175.30 177.53 1q38 s TRP 19 N 0.47 -0.15 0.16 -0.53 -2.14 -1.05 0.37 118.94 116.07 1q38 s TRP 19 Ca -0.11 -0.18 -0.22 0.00 2.66 0.00 0.00 56.10 58.24 1q38 s TRP 19 Cb -0.16 0.21 0.07 0.00 -3.10 0.00 0.00 33.47 30.49 1q38 s TRP 19 CO 0.05 -0.68 0.58 -0.98 -2.66 0.00 0.00 176.95 173.26 1q38 s ARG 20 N -3.81 1.26 -0.08 3.25 1.04 0.79 -1.37 118.95 120.03 1q38 s ARG 20 Ca 0.03 -0.49 -0.31 0.00 -1.04 0.00 0.00 55.73 53.92 1q38 s ARG 20 Cb 0.02 0.58 -0.09 0.00 -2.04 0.00 0.00 34.95 33.42 1q38 s ARG 20 CO -0.12 -0.55 2.01 -2.30 -0.04 0.00 0.00 175.30 174.31 1q38 n PRO 21 N -0.37 2.37 -0.30 3.89 -0.02 -1.26 0.18 135.00 139.49 1q38 n PRO 21 Ca -0.17 0.82 -0.01 0.00 -2.02 0.00 0.00 63.50 62.12 1q38 n PRO 21 Cb 0.65 -2.91 0.17 0.00 -0.02 0.00 0.00 33.50 31.38 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 11.21 1.16 0.00 -0.52 3.64 -1.71 -1.69 116.57 128.66 1q38 h LYS 22 Ca -0.46 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 58.75 1q38 h LYS 22 Cb 1.26 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1q38 h LYS 22 CO 0.95 0.78 -0.41 -0.91 -2.27 0.00 0.00 179.45 177.59 1q38 h ASN 23 N 1.19 0.00 -2.68 4.20 4.21 -1.90 -3.45 115.58 117.16 1q38 h ASN 23 Ca 0.32 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.83 1q38 h ASN 23 Cb -0.11 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.09 1q38 h ASN 23 CO -0.07 0.41 0.00 -0.24 -1.29 0.00 0.00 177.43 176.25 1q38 n SER 24 N -3.64 0.00 -3.53 5.81 2.88 -0.64 -5.13 113.62 109.37 1q38 n SER 24 Ca -0.01 -0.49 -0.13 0.00 -1.33 0.00 0.00 58.87 56.91 1q38 n SER 24 Cb 0.51 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.85 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 1.20 -0.46 0.00 2.46 -7.23 -1.26 -4.86 120.40 110.26 1q38 s VAL 25 Ca 0.00 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.23 1q38 s VAL 25 Cb 0.00 -0.63 0.00 0.00 0.56 0.00 0.00 36.38 36.31 1q38 s VAL 25 CO 0.00 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 1q38 n GLY 26 N 5.35 -3.24 2.70 2.32 0.00 -1.26 -5.09 105.19 105.96 1q38 n GLY 26 Ca -0.05 -2.16 -0.01 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.20 -3.31 -2.41 1.61 1.74 -1.26 -4.54 116.66 108.29 1q38 n ARG 27 Ca 0.00 2.67 -0.14 0.00 -0.77 0.00 0.00 57.85 59.62 1q38 n ARG 27 Cb 0.00 -5.33 0.04 0.00 -1.02 0.00 0.00 32.46 26.16 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 0.57 -2.35 -3.73 -1.55 7.02 -1.26 -4.46 117.44 111.68 1q38 n TRP 28 Ca 0.01 -1.44 -0.14 0.00 -1.02 0.00 0.00 57.50 54.91 1q38 n TRP 28 Cb 0.05 -0.36 -0.09 0.00 -2.42 0.00 0.00 31.31 28.49 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 -3.75 0.67 -0.03 -0.99 2.20 -0.47 -4.91 119.74 112.45 1q38 s LYS 29 Ca 0.39 0.05 0.07 0.00 -0.36 0.00 0.00 55.97 56.12 1q38 s LYS 29 Cb -0.03 0.30 -0.02 0.00 -1.51 0.00 0.00 37.83 36.58 1q38 s LYS 29 CO 0.25 -0.17 -0.25 -1.21 -0.36 0.00 0.00 175.35 173.61 1q38 s GLU 30 N -0.93 2.17 -0.16 4.03 2.02 -1.23 -2.51 118.70 122.09 1q38 s GLU 30 Ca -0.10 -0.90 -0.04 0.00 0.02 0.00 0.00 54.97 53.95 1q38 s GLU 30 Cb -0.04 -2.03 0.05 0.00 0.10 0.00 0.00 34.13 32.22 1q38 s GLU 30 CO 0.04 0.51 0.06 0.00 0.02 0.00 0.00 175.26 175.89 1q38 s ALA 31 N -0.49 0.63 0.04 5.21 0.00 -0.22 -4.87 121.76 122.05 1q38 s ALA 31 Ca 0.07 -0.38 -0.20 0.00 0.00 0.00 0.00 51.96 51.45 1q38 s ALA 31 Cb -0.11 -1.02 -0.06 0.00 0.00 0.00 0.00 23.12 21.93 1q38 s ALA 31 CO 0.00 -1.05 0.57 0.99 0.00 0.00 0.00 175.76 176.27 1q38 s THR 32 N 2.03 4.82 -0.18 0.00 2.01 -1.25 -0.24 115.64 122.83 1q38 s THR 32 Ca 0.02 1.21 -0.04 0.00 0.31 0.00 0.00 61.69 63.18 1q38 s THR 32 Cb -0.16 -3.90 0.06 0.00 0.01 0.00 0.00 72.50 68.51 1q38 s THR 32 CO -0.08 0.50 0.07 -0.63 -0.69 0.00 0.00 174.62 173.80 1q38 s ILE 33 N -0.73 0.11 -0.99 1.82 1.01 0.47 -4.94 121.20 117.96 1q38 s ILE 33 Ca 0.29 -0.31 -0.24 0.00 0.00 0.00 0.00 60.65 60.40 1q38 s ILE 33 Cb -0.19 -0.73 -0.05 0.00 0.01 0.00 0.00 42.46 41.50 1q38 s ILE 33 CO 0.18 -0.27 1.90 -2.16 0.00 0.00 0.00 174.94 174.59 1q38 s PRO 34 N 2.05 2.66 -1.52 2.79 0.04 -1.26 -2.00 135.00 137.76 1q38 s PRO 34 Ca 0.01 -0.61 -0.13 0.00 0.04 0.00 0.00 61.00 60.31 1q38 s PRO 34 Cb -0.16 -5.14 0.09 0.00 0.04 0.00 0.00 34.50 29.32 1q38 s PRO 34 CO -0.09 -3.40 0.89 0.41 0.04 0.00 0.00 177.00 174.85 1q38 n GLY 35 N 6.57 -0.50 2.82 0.56 0.00 -1.15 -3.52 105.19 109.96 1q38 n GLY 35 Ca 0.41 0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.56 1q38 n GLY 35 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1q38 n HIS 36 N -4.57 -3.63 0.06 1.61 8.25 -1.25 -4.84 115.22 110.84 1q38 n HIS 36 Ca 0.03 1.54 -0.04 0.00 -0.26 0.00 0.00 57.72 58.99 1q38 n HIS 36 Cb 0.53 -3.92 0.18 0.00 1.12 0.00 0.00 29.99 27.90 1q38 n HIS 36 CO 0.00 0.00 0.00 1.37 0.64 0.00 0.00 176.34 178.35 1q38 h LEU 37 N 2.54 0.36 0.00 2.41 8.10 -1.89 -3.49 115.31 123.35 1q38 h LEU 37 Ca -0.02 -0.16 0.00 0.00 0.11 0.00 0.00 57.88 57.82 1q38 h LEU 37 Cb 0.55 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 40.66 1q38 h LEU 37 CO 0.15 0.75 0.00 -0.46 -4.11 0.00 0.00 178.44 174.76 1q38 n ASN 38 N -4.02 0.00 -4.58 0.17 2.04 -1.26 -5.09 115.26 102.53 1q38 n ASN 38 Ca -0.02 0.00 -0.42 0.00 -0.44 0.00 0.00 54.58 53.71 1q38 n ASN 38 Cb 0.50 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.72 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 -4.00 6.19 -0.20 0.53 0.15 -1.26 -4.98 113.70 110.13 1q38 s SER 39 Ca 0.00 0.23 -0.13 0.00 0.70 0.00 0.00 55.95 56.74 1q38 s SER 39 Cb 0.00 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.72 1q38 s SER 39 CO 0.00 -1.67 0.27 -0.47 1.20 0.00 0.00 173.24 172.57 1q38 s TYR 40 N 5.83 3.40 0.03 3.44 6.14 -1.26 -5.08 117.35 129.84 1q38 s TYR 40 Ca 0.50 0.48 -0.03 0.00 0.64 0.00 0.00 57.07 58.66 1q38 s TYR 40 Cb -0.10 -2.36 -0.04 0.00 0.42 0.00 0.00 41.96 39.88 1q38 s TYR 40 CO 0.25 0.13 0.22 -0.08 0.64 0.00 0.00 175.55 176.71 1q38 s THR 41 N 0.83 5.38 -0.10 4.34 -1.32 -1.26 -5.10 115.64 118.42 1q38 s THR 41 Ca 0.14 -0.17 -0.01 0.00 -1.21 0.00 0.00 61.69 60.43 1q38 s THR 41 Cb -0.13 -3.58 -0.03 0.00 -1.51 0.00 0.00 72.50 67.25 1q38 s THR 41 CO 0.04 0.25 -0.03 -0.63 -2.21 0.00 0.00 174.62 172.05 1q38 s ILE 42 N -1.40 4.03 0.19 5.08 -1.09 -1.26 -5.06 121.20 121.68 1q38 s ILE 42 Ca 0.31 -0.34 -0.30 0.00 -2.23 0.00 0.00 60.65 58.09 1q38 s ILE 42 Cb -0.13 -2.70 -0.17 0.00 -1.58 0.00 0.00 42.46 37.89 1q38 s ILE 42 CO 0.22 0.58 0.71 1.17 -1.23 0.00 0.00 174.94 176.39 1q38 n LYS 43 N 2.49 0.33 -1.64 2.79 3.00 -1.26 -4.76 118.16 119.11 1q38 n LYS 43 Ca -0.18 0.12 -0.48 0.00 -0.00 0.00 0.00 58.31 57.76 1q38 n LYS 43 Cb 0.53 -1.27 -0.05 0.00 0.00 0.00 0.00 35.03 34.24 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 1.81 0.83 0.00 3.14 0.00 -1.26 -4.94 105.19 104.78 1q38 n GLY 44 Ca 0.16 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.85 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 2.98 0.00 -3.73 0.99 7.99 -1.26 -4.99 117.00 118.98 1q38 n LEU 45 Ca 0.17 0.00 -0.23 0.00 -0.01 0.00 0.00 56.01 55.94 1q38 n LEU 45 Cb 0.25 0.00 -0.17 0.00 -0.11 0.00 0.00 43.42 43.39 1q38 n LEU 45 CO 0.63 0.00 -0.37 -0.75 -1.51 0.00 0.00 177.39 175.39 1q38 s LYS 46 N 1.24 0.41 -0.16 3.23 2.20 -1.26 -4.85 119.74 120.55 1q38 s LYS 46 Ca 0.00 0.08 -0.28 0.00 -0.36 0.00 0.00 55.97 55.40 1q38 s LYS 46 Cb 0.00 -1.11 -0.06 0.00 -1.51 0.00 0.00 37.83 35.15 1q38 s LYS 46 CO 0.00 -0.39 2.17 -2.14 -0.36 0.00 0.00 175.35 174.63 1q38 s PRO 47 N 2.02 3.35 0.00 4.03 0.02 -1.26 -1.82 135.00 141.34 1q38 s PRO 47 Ca 0.04 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.22 1q38 s PRO 47 Cb -0.13 -4.33 0.00 0.00 0.02 0.00 0.00 34.50 30.06 1q38 s PRO 47 CO -0.05 -1.85 0.00 0.41 -0.33 0.00 0.00 177.00 175.17 1q38 n GLY 48 N 5.49 1.36 3.34 0.52 0.00 -1.26 -4.97 105.19 109.67 1q38 n GLY 48 Ca 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.37 2.38 -0.07 1.61 0.11 -0.76 -5.00 120.40 117.31 1q38 s VAL 49 Ca 0.00 -0.96 -0.10 0.00 -2.93 0.00 0.00 61.98 57.98 1q38 s VAL 49 Cb 0.00 -1.88 -0.05 0.00 -1.53 0.00 0.00 36.38 32.92 1q38 s VAL 49 CO 0.00 0.57 0.26 -0.69 -3.33 0.00 0.00 175.10 171.91 1q38 s VAL 50 N -0.39 5.30 -0.18 2.04 1.01 -1.26 -4.54 120.40 122.38 1q38 s VAL 50 Ca 0.04 0.48 -0.06 0.00 0.00 0.00 0.00 61.98 62.43 1q38 s VAL 50 Cb -0.12 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1q38 s VAL 50 CO 0.02 0.60 0.04 -0.31 0.00 0.00 0.00 175.10 175.45 1q38 s TYR 51 N -1.03 3.18 0.12 5.22 1.51 -0.79 -2.08 117.35 123.46 1q38 s TYR 51 Ca 0.19 -0.07 -0.25 0.00 -1.01 0.00 0.00 57.07 55.93 1q38 s TYR 51 Cb -0.14 -2.07 -0.07 0.00 -0.11 0.00 0.00 41.96 39.58 1q38 s TYR 51 CO 0.08 0.06 0.77 -1.83 -1.11 0.00 0.00 175.55 173.52 1q38 s GLU 52 N 0.49 4.53 0.06 -0.62 -1.05 0.13 -2.31 118.70 119.94 1q38 s GLU 52 Ca 0.01 1.12 -0.11 0.00 -0.15 0.00 0.00 54.97 55.85 1q38 s GLU 52 Cb -0.13 -3.30 0.01 0.00 -0.44 0.00 0.00 34.13 30.26 1q38 s GLU 52 CO 0.01 0.46 0.23 0.20 0.95 0.00 0.00 175.26 177.11 1q38 s GLY 53 N -0.71 -0.00 0.01 -3.83 0.00 -0.21 -0.15 107.32 102.44 1q38 s GLY 53 Ca 0.37 -0.32 0.03 0.00 0.00 0.00 0.00 44.72 44.80 1q38 s GLY 53 CO 0.25 -0.51 -0.08 -0.86 0.00 0.00 0.00 173.10 171.90 1q38 s GLN 54 N -3.11 0.60 -0.40 2.90 -2.07 0.16 0.13 119.66 117.87 1q38 s GLN 54 Ca -0.01 -0.44 -0.08 0.00 -1.82 0.00 0.00 55.36 53.01 1q38 s GLN 54 Cb 0.01 -0.53 0.07 0.00 -1.09 0.00 0.00 33.01 31.47 1q38 s GLN 54 CO -0.07 0.14 0.22 -0.51 -1.32 0.00 0.00 175.29 173.75 1q38 s LEU 55 N -0.64 4.94 -0.00 2.60 1.43 -0.14 -1.55 118.68 125.31 1q38 s LEU 55 Ca -0.01 -1.41 -0.16 0.00 -1.03 0.00 0.00 54.13 51.52 1q38 s LEU 55 Cb -0.05 -1.96 -0.06 0.00 0.03 0.00 0.00 46.19 44.16 1q38 s LEU 55 CO 0.00 -0.48 0.45 -0.63 0.23 0.00 0.00 176.35 175.92 1q38 s ILE 56 N 1.42 4.99 -0.18 -0.59 1.09 -0.29 -2.22 121.20 125.41 1q38 s ILE 56 Ca 0.02 0.93 0.01 0.00 -1.10 0.00 0.00 60.65 60.51 1q38 s ILE 56 Cb -0.22 -3.77 0.02 0.00 -1.06 0.00 0.00 42.46 37.44 1q38 s ILE 56 CO 0.02 0.53 -0.18 -0.94 -0.10 0.00 0.00 174.94 174.27 1q38 s SER 57 N -0.81 3.11 -0.15 3.58 1.04 0.35 -0.79 113.70 120.04 1q38 s SER 57 Ca 0.25 -0.66 -0.00 0.00 0.48 0.00 0.00 55.95 56.01 1q38 s SER 57 Cb -0.17 -1.42 -0.01 0.00 0.10 0.00 0.00 66.02 64.52 1q38 s SER 57 CO 0.14 -0.02 -0.13 -0.63 0.98 0.00 0.00 173.24 173.58 1q38 s ILE 58 N 1.32 3.00 0.40 -1.02 1.01 -0.98 -1.68 121.20 123.25 1q38 s ILE 58 Ca 0.04 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.03 1q38 s ILE 58 Cb -0.13 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.07 1q38 s ILE 58 CO -0.12 0.51 0.05 0.00 0.00 0.00 0.00 174.94 175.38 1q38 n GLN 59 N 3.78 1.03 0.00 2.79 10.64 -1.26 -2.45 117.38 131.91 1q38 n GLN 59 Ca -0.18 -2.82 0.09 0.00 -1.83 0.00 0.00 57.00 52.26 1q38 n GLN 59 Cb 0.52 0.69 0.49 0.00 -0.86 0.00 0.00 30.24 31.08 1q38 n GLN 59 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1q38 n GLN 60 N -1.05 0.33 0.00 2.61 10.64 -1.26 -2.13 117.38 126.51 1q38 n GLN 60 Ca -0.14 0.09 0.10 0.00 -1.83 0.00 0.00 57.00 55.22 1q38 n GLN 60 Cb 0.49 -1.50 -0.01 0.00 -0.86 0.00 0.00 30.24 28.36 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 -1.23 0.00 -0.80 2.61 4.01 -1.26 -4.97 117.16 115.53 1q38 n TYR 61 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 1q38 n TYR 61 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 1q38 n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1q38 n GLY 62 N 1.37 0.54 3.55 2.72 0.00 -0.91 -5.05 105.19 107.41 1q38 n GLY 62 Ca 0.08 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 1q38 n GLY 62 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1q38 s HIS 63 N -2.00 0.83 -0.34 1.61 2.46 -1.26 -4.88 115.29 111.71 1q38 s HIS 63 Ca 0.00 0.72 0.03 0.00 0.47 0.00 0.00 55.06 56.28 1q38 s HIS 63 Cb 0.00 -3.27 0.16 0.00 -0.13 0.00 0.00 32.58 29.35 1q38 s HIS 63 CO 0.00 -3.83 0.44 -0.65 -2.47 0.00 0.00 174.74 168.23 1q38 s GLN 64 N -5.11 0.56 -0.30 2.88 -1.52 -1.20 -4.15 119.66 110.82 1q38 s GLN 64 Ca 0.69 -0.27 -0.14 0.00 -1.95 0.00 0.00 55.36 53.69 1q38 s GLN 64 Cb -0.15 -0.37 -0.03 0.00 -0.22 0.00 0.00 33.01 32.24 1q38 s GLN 64 CO 0.58 -1.12 0.32 -2.00 -0.25 0.00 0.00 175.29 172.82 1q38 s GLU 65 N 2.05 3.80 -0.05 2.91 2.56 -0.67 -4.80 118.70 124.50 1q38 s GLU 65 Ca 0.13 -0.26 0.03 0.00 0.00 0.00 0.00 54.97 54.88 1q38 s GLU 65 Cb -0.12 -3.72 0.00 0.00 2.00 0.00 0.00 34.13 32.29 1q38 s GLU 65 CO -0.17 -0.36 -0.14 0.54 -0.56 0.00 0.00 175.26 174.57 1q38 s VAL 66 N 1.96 1.24 -0.05 3.70 0.11 -1.22 0.13 120.40 126.26 1q38 s VAL 66 Ca 0.11 -0.59 -0.01 0.00 -2.93 0.00 0.00 61.98 58.56 1q38 s VAL 66 Cb -0.16 -1.08 0.03 0.00 -1.53 0.00 0.00 36.38 33.63 1q38 s VAL 66 CO 0.11 0.37 0.02 -0.89 -3.33 0.00 0.00 175.10 171.38 1q38 s THR 67 N 0.22 0.16 0.15 5.04 2.01 -0.94 -4.90 115.64 117.39 1q38 s THR 67 Ca -0.07 0.23 -0.26 0.00 0.31 0.00 0.00 61.69 61.91 1q38 s THR 67 Cb -0.12 -0.35 -0.08 0.00 0.01 0.00 0.00 72.50 71.96 1q38 s THR 67 CO 0.02 0.21 0.80 -0.13 -0.69 0.00 0.00 174.62 174.83 1q38 s ARG 68 N 1.90 4.59 0.07 4.92 3.00 -1.26 -0.97 118.95 131.19 1q38 s ARG 68 Ca 0.03 1.19 -0.11 0.00 0.00 0.00 0.00 55.73 56.84 1q38 s ARG 68 Cb -0.12 -3.28 0.01 0.00 0.00 0.00 0.00 34.95 31.55 1q38 s ARG 68 CO -0.04 0.51 0.23 -0.59 0.00 0.00 0.00 175.30 175.41 1q38 s PHE 69 N -0.94 0.04 -0.17 -0.53 -0.12 0.12 -4.98 117.98 111.40 1q38 s PHE 69 Ca 0.37 -0.33 0.01 0.00 -0.05 0.00 0.00 56.93 56.93 1q38 s PHE 69 Cb -0.23 0.01 0.02 0.00 -0.63 0.00 0.00 43.02 42.19 1q38 s PHE 69 CO 0.26 -0.52 -0.20 -0.51 -0.05 0.00 0.00 175.22 174.20 1q38 s ASP 70 N -2.46 3.13 0.09 1.98 1.01 -1.26 -1.04 116.67 118.11 1q38 s ASP 70 Ca -0.00 -0.64 -0.09 0.00 0.71 0.00 0.00 52.55 52.53 1q38 s ASP 70 Cb 0.02 -1.47 -0.00 0.00 1.01 0.00 0.00 42.92 42.47 1q38 s ASP 70 CO -0.07 0.02 0.20 0.72 0.21 0.00 0.00 175.17 176.24 1q38 s PHE 71 N 1.16 0.14 0.18 4.23 -0.71 -0.98 -4.59 117.98 117.41 1q38 s PHE 71 Ca 0.02 -0.56 -0.08 0.00 -1.04 0.00 0.00 56.93 55.27 1q38 s PHE 71 Cb -0.14 -0.05 -0.01 0.00 -1.21 0.00 0.00 43.02 41.61 1q38 s PHE 71 CO -0.10 -0.54 0.28 0.95 -1.34 0.00 0.00 175.22 174.47 1q38 s THR 72 N -3.81 0.05 0.15 -4.49 -4.23 -1.24 -1.89 115.64 100.17 1q38 s THR 72 Ca 0.05 -1.49 -0.19 0.00 -1.18 0.00 0.00 61.69 58.88 1q38 s THR 72 Cb 0.05 -1.97 0.04 0.00 1.34 0.00 0.00 72.50 71.95 1q38 s THR 72 CO -0.11 -0.24 1.68 0.00 -0.54 0.00 0.00 174.62 175.42 1q38 h THR 73 N 2.53 0.67 0.00 3.99 1.03 -1.87 -3.40 112.91 115.86 1q38 h THR 73 Ca -0.32 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.08 1q38 h THR 73 Cb 1.23 0.67 0.00 0.00 -1.07 0.00 0.00 68.15 68.98 1q38 h THR 73 CO 0.48 0.00 -0.71 0.35 -0.01 0.00 0.00 175.52 175.62 1q38 n THR 74 N -5.27 0.00 -0.76 0.00 -2.24 -1.26 -4.96 114.28 99.79 1q38 n THR 74 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 1q38 n THR 74 Cb 0.19 -0.95 0.18 0.00 -2.10 0.00 0.00 70.33 67.64 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 -2.66 -2.04 -3.62 3.42 2.88 -1.26 -5.02 113.62 105.31 1q38 n SER 75 Ca 0.00 -0.90 -0.07 0.00 -1.33 0.00 0.00 58.87 56.56 1q38 n SER 75 Cb 0.36 -0.69 -0.06 0.00 -0.75 0.00 0.00 64.21 63.07 1q38 n SER 75 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1q38 s THR 76 N -2.27 0.00 0.00 2.46 -4.23 -1.26 -3.67 115.64 106.67 1q38 s THR 76 Ca 0.49 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.00 1q38 s THR 76 Cb -0.05 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.79 1q38 s THR 76 CO 0.38 0.00 0.00 -0.24 -0.54 0.00 0.00 174.62 174.22 1q38 n SER 77 N 1.18 0.00 -3.45 3.99 2.88 -1.26 -4.98 113.62 111.98 1q38 n SER 77 Ca -0.09 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.30 1q38 n SER 77 Cb 0.57 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.04 1q38 n SER 77 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1q38 n THR 78 N 0.00 -6.89 -0.50 2.46 -1.04 -1.26 -5.00 114.28 102.05 1q38 n THR 78 Ca 0.00 -0.33 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1q38 n THR 78 Cb 0.00 -5.01 0.00 0.00 -1.82 0.00 0.00 70.33 63.50 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 -2.58 -0.10 -0.17 -2.82 -0.04 -1.26 -4.94 135.00 123.08 1q38 n PRO 79 Ca -0.13 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.40 1q38 n PRO 79 Cb 0.59 0.00 0.22 0.00 -0.04 0.00 0.00 33.50 34.27 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 3.58 0.76 0.00 0.55 0.00 -1.26 -4.90 105.19 103.92 1q38 n GLY 80 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1q38 n GLY 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q38 n SER 81 N 0.61 0.96 -1.58 1.61 3.41 -1.26 -4.82 113.62 112.56 1q38 n SER 81 Ca 0.14 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.67 1q38 n SER 81 Cb 0.34 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 1q38 n SER 81 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1q38 n ARG 82 N 0.00 -1.54 0.22 4.33 1.85 -1.26 -4.76 116.66 115.50 1q38 n ARG 82 Ca 0.00 0.45 0.08 0.00 -1.00 0.00 0.00 57.85 57.38 1q38 n ARG 82 Cb 0.00 -4.72 0.53 0.00 -1.05 0.00 0.00 32.46 27.22 1q38 n ARG 82 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1q38 h SER 83 N 0.00 0.00 -2.25 2.89 0.02 -1.93 -3.21 113.55 109.07 1q38 h SER 83 Ca -0.17 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.19 1q38 h SER 83 Cb 0.70 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.82 1q38 h SER 83 CO 0.24 0.24 -0.67 0.00 -1.14 0.00 0.00 176.83 175.50 1q38 n HIS 84 N -3.82 3.71 0.30 3.45 -0.00 -1.26 -4.85 115.22 112.75 1q38 n HIS 84 Ca -0.02 -4.02 0.16 0.00 -0.00 0.00 0.00 57.72 53.85 1q38 n HIS 84 Cb 0.33 -0.50 0.75 0.00 -0.00 0.00 0.00 29.99 30.57 1q38 n HIS 84 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1q38 h HIS 85 N 3.26 0.00 -3.49 -1.40 6.17 -1.96 -3.44 115.15 114.29 1q38 h HIS 85 Ca 0.14 0.00 -0.45 0.00 0.71 0.00 0.00 60.37 60.77 1q38 h HIS 85 Cb 0.57 0.00 0.14 0.00 2.52 0.00 0.00 27.41 30.63 1q38 h HIS 85 CO 0.79 0.00 0.33 -1.01 0.71 0.00 0.00 177.93 178.75 1q38 s HIS 86 N -3.67 1.64 0.57 5.26 3.76 -1.26 -5.05 115.29 116.53 1q38 s HIS 86 Ca -0.00 0.16 -0.17 0.00 -0.15 0.00 0.00 55.06 54.89 1q38 s HIS 86 Cb 0.09 -3.77 -0.05 0.00 1.11 0.00 0.00 32.58 29.97 1q38 s HIS 86 CO 0.40 -2.35 1.06 -1.01 -0.85 0.00 0.00 174.74 171.99 1q38 s HIS 87 N -3.66 2.98 -0.12 1.40 3.76 -1.26 -5.03 115.29 113.35 1q38 s HIS 87 Ca 0.71 1.53 -0.14 0.00 -0.15 0.00 0.00 55.06 57.01 1q38 s HIS 87 Cb -0.04 -3.03 -0.05 0.00 1.11 0.00 0.00 32.58 30.57 1q38 s HIS 87 CO 0.50 -1.07 0.34 -1.58 -0.85 0.00 0.00 174.74 172.08 1q38 s HIS 88 N -2.32 3.52 0.00 1.40 2.46 -1.26 -5.16 115.29 113.93 1q38 s HIS 88 Ca 0.65 0.71 0.00 0.00 0.47 0.00 0.00 55.06 56.89 1q38 s HIS 88 Cb -0.16 -2.36 0.00 0.00 -0.13 0.00 0.00 32.58 29.93 1q38 s HIS 88 CO 0.33 0.31 0.05 0.72 -2.47 0.00 0.00 174.74 173.68