#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 0.58 0.00 3.17 0.52 -1.26 -5.02 118.95 116.94 1q38 s ARG 2 Ca 0.00 -1.36 0.00 0.00 -0.52 0.00 0.00 55.73 53.85 1q38 s ARG 2 Cb 0.00 -1.35 0.00 0.00 0.52 0.00 0.00 34.95 34.12 1q38 s ARG 2 CO 0.00 -1.21 0.00 0.41 0.02 0.00 0.00 175.30 174.52 1q38 n GLY 3 N 4.02 2.33 2.63 -3.53 0.00 -1.26 -5.12 105.19 104.26 1q38 n GLY 3 Ca 0.12 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1q38 n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q38 s SER 4 N 0.00 3.40 -0.64 1.61 0.01 -1.26 -4.94 113.70 111.88 1q38 s SER 4 Ca 0.00 -2.50 -0.08 0.00 1.31 0.00 0.00 55.95 54.68 1q38 s SER 4 Cb 0.00 -0.83 0.01 0.00 0.21 0.00 0.00 66.02 65.42 1q38 s SER 4 CO 0.00 -0.28 0.65 0.59 0.41 0.00 0.00 173.24 174.62 1q38 n ASN 5 N 3.68 -7.09 -3.77 2.44 4.13 -1.26 -5.04 115.26 108.35 1q38 n ASN 5 Ca 0.10 -0.08 -0.16 0.00 1.68 0.00 0.00 54.58 56.13 1q38 n ASN 5 Cb 0.36 -4.32 -0.16 0.00 -1.54 0.00 0.00 39.78 34.11 1q38 n ASN 5 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1q38 s ALA 6 N -2.74 0.14 -0.09 5.41 0.00 -1.26 -5.12 121.76 118.10 1q38 s ALA 6 Ca 0.11 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 52.04 1q38 s ALA 6 Cb -0.02 -0.29 -0.06 0.00 0.00 0.00 0.00 23.12 22.75 1q38 s ALA 6 CO 0.79 -0.14 1.78 -1.25 0.00 0.00 0.00 175.76 176.95 1q38 s PRO 7 N 1.16 3.97 0.03 0.00 0.04 -1.26 -5.00 135.00 133.94 1q38 s PRO 7 Ca -0.08 2.14 0.09 0.00 0.04 0.00 0.00 61.00 63.19 1q38 s PRO 7 Cb -0.13 -4.08 -0.03 0.00 0.04 0.00 0.00 34.50 30.30 1q38 s PRO 7 CO -0.03 -1.12 -0.26 -0.65 0.04 0.00 0.00 177.00 174.99 1q38 s GLN 8 N 4.54 1.80 0.92 4.56 -0.21 -1.26 -5.14 119.66 124.87 1q38 s GLN 8 Ca 0.79 -1.05 -0.12 0.00 0.02 0.00 0.00 55.36 55.00 1q38 s GLN 8 Cb -0.33 -1.92 0.14 0.00 1.00 0.00 0.00 33.01 31.90 1q38 s GLN 8 CO 0.33 0.50 1.12 -1.25 -2.12 0.00 0.00 175.29 173.87 1q38 s PRO 9 N -1.10 1.05 0.11 2.91 0.04 -1.26 -4.96 135.00 131.79 1q38 s PRO 9 Ca 0.11 0.37 -0.31 0.00 0.04 0.00 0.00 61.00 61.21 1q38 s PRO 9 Cb -0.10 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.53 1q38 s PRO 9 CO 0.01 -2.27 1.71 -1.12 0.04 0.00 0.00 177.00 175.37 1q38 s SER 10 N -3.88 6.52 0.97 6.66 0.01 -1.26 -5.00 113.70 117.72 1q38 s SER 10 Ca 0.64 2.63 0.00 0.00 1.31 0.00 0.00 55.95 60.53 1q38 s SER 10 Cb -0.16 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.50 1q38 s SER 10 CO 0.54 -0.93 0.00 1.41 0.41 0.00 0.00 173.24 174.68 1q38 n HIS 11 N 5.29 -3.32 -2.38 2.43 -0.00 -1.26 -5.03 115.22 110.95 1q38 n HIS 11 Ca 0.16 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.56 1q38 n HIS 11 Cb 0.39 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.35 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 -0.97 4.57 0.19 1.59 2.07 -1.26 -4.97 121.20 122.42 1q38 s ILE 12 Ca 0.00 1.14 -0.12 0.00 -1.41 0.00 0.00 60.65 60.25 1q38 s ILE 12 Cb 0.00 -3.74 0.11 0.00 0.13 0.00 0.00 42.46 38.97 1q38 s ILE 12 CO 0.00 -0.73 1.72 -1.28 -1.91 0.00 0.00 174.94 172.75 1q38 h SER 13 N 0.81 0.05 -3.10 4.50 0.87 -1.87 -3.38 113.55 111.43 1q38 h SER 13 Ca -0.47 0.08 0.13 0.00 -1.23 0.00 0.00 61.79 60.31 1q38 h SER 13 Cb 1.19 0.11 -0.28 0.00 -0.44 0.00 0.00 62.40 62.98 1q38 h SER 13 CO 0.62 0.05 0.68 -1.59 -0.53 0.00 0.00 176.83 176.06 1q38 s LYS 14 N -6.13 0.33 -0.02 2.24 0.00 -1.01 -4.79 119.74 110.35 1q38 s LYS 14 Ca -0.13 0.25 -0.00 0.00 0.00 0.00 0.00 55.97 56.09 1q38 s LYS 14 Cb 0.16 0.16 -0.04 0.00 0.00 0.00 0.00 37.83 38.11 1q38 s LYS 14 CO 0.73 -0.07 0.03 -0.47 0.00 0.00 0.00 175.35 175.57 1q38 s TYR 15 N -0.35 3.18 -0.21 1.78 6.14 -0.95 -1.15 117.35 125.79 1q38 s TYR 15 Ca 0.04 0.16 -0.01 0.00 0.64 0.00 0.00 57.07 57.90 1q38 s TYR 15 Cb -0.03 -1.72 0.01 0.00 0.42 0.00 0.00 41.96 40.64 1q38 s TYR 15 CO -0.07 0.50 -0.11 0.42 0.64 0.00 0.00 175.55 176.93 1q38 s ILE 16 N -1.08 2.69 -0.31 3.14 -1.09 0.01 -1.41 121.20 123.14 1q38 s ILE 16 Ca 0.19 -0.83 -0.09 0.00 -2.23 0.00 0.00 60.65 57.69 1q38 s ILE 16 Cb -0.12 -2.24 0.00 0.00 -1.58 0.00 0.00 42.46 38.53 1q38 s ILE 16 CO 0.10 0.40 0.14 -0.22 -1.23 0.00 0.00 174.94 174.13 1q38 s LEU 17 N 1.36 4.09 -0.12 2.97 2.96 -0.75 -1.87 118.68 127.32 1q38 s LEU 17 Ca 0.04 -0.61 0.03 0.00 -0.22 0.00 0.00 54.13 53.36 1q38 s LEU 17 Cb -0.14 -1.97 -0.00 0.00 0.50 0.00 0.00 46.19 44.57 1q38 s LEU 17 CO -0.08 -0.21 -0.21 0.00 -1.32 0.00 0.00 176.35 174.54 1q38 s ARG 18 N 1.58 3.13 0.01 1.98 1.70 -0.70 -1.68 118.95 124.97 1q38 s ARG 18 Ca 0.04 -0.83 -0.01 0.00 -0.47 0.00 0.00 55.73 54.47 1q38 s ARG 18 Cb -0.17 -2.41 -0.01 0.00 -0.57 0.00 0.00 34.95 31.78 1q38 s ARG 18 CO 0.05 0.15 -0.01 1.67 -1.08 0.00 0.00 175.30 176.08 1q38 s TRP 19 N 0.44 0.18 -0.02 5.89 -2.14 -0.92 -0.92 118.94 121.45 1q38 s TRP 19 Ca -0.15 -0.38 -0.29 0.00 2.66 0.00 0.00 56.10 57.95 1q38 s TRP 19 Cb -0.17 -0.14 0.08 0.00 -3.10 0.00 0.00 33.47 30.14 1q38 s TRP 19 CO 0.06 -0.16 0.73 0.50 -2.66 0.00 0.00 176.95 175.43 1q38 s ARG 20 N -1.12 1.02 -0.23 3.25 3.52 -1.01 -1.57 118.95 122.80 1q38 s ARG 20 Ca -0.12 0.03 -0.29 0.00 -0.13 0.00 0.00 55.73 55.22 1q38 s ARG 20 Cb -0.08 0.48 -0.06 0.00 -1.56 0.00 0.00 34.95 33.73 1q38 s ARG 20 CO -0.01 -0.36 2.21 -2.30 -0.81 0.00 0.00 175.30 174.03 1q38 n PRO 21 N 0.50 1.87 0.11 5.12 -0.02 -1.25 0.00 135.00 141.32 1q38 n PRO 21 Ca -0.16 0.52 0.02 0.00 -2.02 0.00 0.00 63.50 61.85 1q38 n PRO 21 Cb 0.59 -3.12 0.36 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 14.52 0.25 0.08 -0.52 3.64 -0.40 -3.14 116.57 131.01 1q38 h LYS 22 Ca -0.39 -0.06 -0.35 0.00 -1.27 0.00 0.00 60.65 58.57 1q38 h LYS 22 Cb 1.25 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 1q38 h LYS 22 CO 0.97 0.41 -2.01 -1.71 -2.27 0.00 0.00 179.45 174.85 1q38 n ASN 23 N -4.25 1.73 -1.78 4.20 2.85 -1.23 -4.97 115.26 111.82 1q38 n ASN 23 Ca -0.01 0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.67 1q38 n ASN 23 Cb 0.29 -0.55 0.00 0.00 1.24 0.00 0.00 39.78 40.76 1q38 n ASN 23 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1q38 n SER 24 N -3.32 0.00 -4.53 1.20 2.88 -1.19 -5.06 113.62 103.59 1q38 n SER 24 Ca -0.30 -0.20 -0.29 0.00 -1.33 0.00 0.00 58.87 56.75 1q38 n SER 24 Cb 1.05 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.74 1q38 n SER 24 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1q38 s VAL 25 N 0.65 2.04 0.00 2.46 0.11 -1.26 -4.79 120.40 119.61 1q38 s VAL 25 Ca 0.00 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 1q38 s VAL 25 Cb 0.00 -2.06 0.00 0.00 -1.53 0.00 0.00 36.38 32.79 1q38 s VAL 25 CO 0.00 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.36 1q38 n GLY 26 N 0.65 0.84 3.14 6.54 0.00 -1.26 -3.88 105.19 111.21 1q38 n GLY 26 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.69 -0.55 1.61 1.74 -1.26 -4.27 116.66 112.23 1q38 n ARG 27 Ca 0.00 1.25 -0.30 0.00 -0.77 0.00 0.00 57.85 58.03 1q38 n ARG 27 Cb 0.00 -5.79 0.23 0.00 -1.02 0.00 0.00 32.46 25.87 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 -2.36 -1.21 -3.98 -1.55 7.02 -1.26 -4.77 117.44 109.33 1q38 n TRP 28 Ca -0.03 -0.03 -0.16 0.00 -1.02 0.00 0.00 57.50 56.26 1q38 n TRP 28 Cb 0.55 -1.68 -0.15 0.00 -2.42 0.00 0.00 31.31 27.60 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 -4.12 0.28 -0.05 -0.99 1.02 -0.61 -4.92 119.74 110.36 1q38 s LYS 29 Ca 0.65 -0.01 0.06 0.00 0.02 0.00 0.00 55.97 56.69 1q38 s LYS 29 Cb -0.21 -0.37 -0.01 0.00 -0.52 0.00 0.00 37.83 36.71 1q38 s LYS 29 CO 0.65 -0.05 -0.24 -1.21 -0.92 0.00 0.00 175.35 173.59 1q38 s GLU 30 N 0.53 2.47 -0.06 1.68 2.02 -1.25 -2.16 118.70 121.93 1q38 s GLU 30 Ca -0.05 -0.88 -0.02 0.00 0.02 0.00 0.00 54.97 54.04 1q38 s GLU 30 Cb -0.08 -2.18 0.03 0.00 0.10 0.00 0.00 34.13 32.00 1q38 s GLU 30 CO -0.01 0.45 0.04 0.00 0.02 0.00 0.00 175.26 175.75 1q38 s ALA 31 N -0.32 0.44 -0.02 5.21 0.00 -0.67 -4.93 121.76 121.46 1q38 s ALA 31 Ca 0.01 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.77 1q38 s ALA 31 Cb -0.13 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1q38 s ALA 31 CO 0.02 -0.49 0.75 0.99 0.00 0.00 0.00 175.76 177.03 1q38 s THR 32 N 2.08 4.92 -0.23 0.00 2.01 -1.25 -1.81 115.64 121.36 1q38 s THR 32 Ca 0.05 1.57 -0.02 0.00 0.31 0.00 0.00 61.69 63.60 1q38 s THR 32 Cb -0.12 -4.09 0.07 0.00 0.01 0.00 0.00 72.50 68.36 1q38 s THR 32 CO -0.04 0.28 0.04 -0.63 -0.69 0.00 0.00 174.62 173.58 1q38 s ILE 33 N 0.52 0.76 -0.99 1.82 1.09 -0.50 -4.91 121.20 118.99 1q38 s ILE 33 Ca 0.39 -0.88 -0.26 0.00 -1.10 0.00 0.00 60.65 58.81 1q38 s ILE 33 Cb -0.19 -1.31 -0.18 0.00 -1.06 0.00 0.00 42.46 39.72 1q38 s ILE 33 CO 0.21 -0.32 2.19 -2.84 -0.10 0.00 0.00 174.94 174.07 1q38 s PRO 34 N 1.73 1.50 -2.03 2.79 0.02 -1.26 -2.25 135.00 135.51 1q38 s PRO 34 Ca 0.01 -0.19 0.00 0.00 0.02 0.00 0.00 61.00 60.84 1q38 s PRO 34 Cb -0.17 -4.95 0.00 0.00 0.02 0.00 0.00 34.50 29.40 1q38 s PRO 34 CO -0.13 -4.92 0.00 0.41 -0.33 0.00 0.00 177.00 172.04 1q38 n GLY 35 N 6.38 1.07 2.40 0.52 0.00 -1.26 -4.21 105.19 110.09 1q38 n GLY 35 Ca 0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.41 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 -3.00 -4.57 0.09 1.61 8.25 -1.20 -4.91 115.22 111.50 1q38 n HIS 36 Ca -0.22 2.70 -0.06 0.00 -0.26 0.00 0.00 57.72 59.88 1q38 n HIS 36 Cb 0.68 -3.82 -0.01 0.00 1.12 0.00 0.00 29.99 27.96 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 4.06 0.06 0.00 2.41 -0.00 -1.91 -3.49 115.31 116.45 1q38 h LEU 37 Ca -0.22 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 1q38 h LEU 37 Cb 0.50 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 1q38 h LEU 37 CO 0.00 0.89 0.00 -0.46 -0.00 0.00 0.00 178.44 178.88 1q38 n ASN 38 N -3.56 0.09 -4.58 0.17 6.94 -1.26 -5.09 115.26 107.98 1q38 n ASN 38 Ca -0.01 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.13 1q38 n ASN 38 Cb 0.82 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 38.21 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1q38 s SER 39 N 2.00 6.19 -0.33 0.53 0.01 -1.26 -4.98 113.70 115.87 1q38 s SER 39 Ca 0.00 0.30 -0.11 0.00 1.31 0.00 0.00 55.95 57.45 1q38 s SER 39 Cb 0.00 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.68 1q38 s SER 39 CO 0.00 -1.65 0.18 -0.47 0.41 0.00 0.00 173.24 171.71 1q38 s TYR 40 N 5.84 3.20 0.02 2.43 5.04 -1.26 -5.08 117.35 127.54 1q38 s TYR 40 Ca 0.51 -0.54 -0.01 0.00 -2.44 0.00 0.00 57.07 54.60 1q38 s TYR 40 Cb -0.10 -2.40 -0.04 0.00 0.35 0.00 0.00 41.96 39.77 1q38 s TYR 40 CO 0.26 -0.46 0.16 -0.08 -1.34 0.00 0.00 175.55 174.08 1q38 s THR 41 N 1.63 5.17 -0.30 4.34 -1.32 -1.26 -5.09 115.64 118.81 1q38 s THR 41 Ca 0.05 -0.35 -0.07 0.00 -1.21 0.00 0.00 61.69 60.10 1q38 s THR 41 Cb -0.17 -3.44 0.01 0.00 -1.51 0.00 0.00 72.50 67.38 1q38 s THR 41 CO 0.07 0.25 0.10 -0.63 -2.21 0.00 0.00 174.62 172.20 1q38 s ILE 42 N -1.36 4.08 0.00 5.08 1.01 -1.26 -5.03 121.20 123.72 1q38 s ILE 42 Ca 0.29 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.28 1q38 s ILE 42 Cb -0.13 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.24 1q38 s ILE 42 CO 0.21 0.06 0.00 0.29 0.00 0.00 0.00 174.94 175.50 1q38 n LYS 43 N 4.89 0.00 0.00 2.79 4.76 -1.26 -4.47 118.16 124.87 1q38 n LYS 43 Ca -0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 1q38 n LYS 43 Cb 0.48 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.67 1q38 n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1q38 n GLY 44 N 0.00 0.00 3.07 0.72 0.00 -1.26 -5.15 105.19 102.57 1q38 n GLY 44 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.28 0.00 -3.60 0.99 4.77 -1.26 -4.92 117.00 110.69 1q38 n LEU 45 Ca 0.00 0.80 -0.15 0.00 -0.03 0.00 0.00 56.01 56.64 1q38 n LEU 45 Cb 0.26 -2.34 -0.07 0.00 -2.33 0.00 0.00 43.42 38.95 1q38 n LEU 45 CO 0.00 -1.85 0.46 -1.59 -1.33 0.00 0.00 177.39 173.07 1q38 s LYS 46 N -1.30 0.87 0.44 3.23 0.00 0.93 -4.72 119.74 119.19 1q38 s LYS 46 Ca 0.00 0.76 -0.25 0.00 0.00 0.00 0.00 55.97 56.48 1q38 s LYS 46 Cb 0.00 0.42 -0.09 0.00 0.00 0.00 0.00 37.83 38.16 1q38 s LYS 46 CO 0.00 -0.16 1.29 -2.30 0.00 0.00 0.00 175.35 174.18 1q38 n PRO 47 N 2.14 1.93 0.00 1.78 -0.02 -1.26 0.10 135.00 139.68 1q38 n PRO 47 Ca -0.15 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1q38 n PRO 47 Cb 0.56 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1q38 n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q38 n GLY 48 N 0.79 0.68 3.80 -1.23 0.00 -1.26 -4.83 105.19 103.14 1q38 n GLY 48 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.77 5.31 -0.28 1.61 1.01 -1.25 -4.95 120.40 121.08 1q38 s VAL 49 Ca 0.00 0.48 -0.20 0.00 0.00 0.00 0.00 61.98 62.26 1q38 s VAL 49 Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 1q38 s VAL 49 CO 0.00 0.51 0.62 -0.69 0.00 0.00 0.00 175.10 175.54 1q38 s VAL 50 N -0.34 4.96 0.33 2.92 1.01 -1.26 -1.41 120.40 126.62 1q38 s VAL 50 Ca 0.17 0.97 0.08 0.00 0.00 0.00 0.00 61.98 63.19 1q38 s VAL 50 Cb -0.13 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1q38 s VAL 50 CO 0.06 -0.06 0.27 -0.31 0.00 0.00 0.00 175.10 175.05 1q38 s TYR 51 N 2.55 2.88 -0.09 5.22 2.02 0.16 0.28 117.35 130.37 1q38 s TYR 51 Ca 0.25 -0.31 0.03 0.00 -0.37 0.00 0.00 57.07 56.68 1q38 s TYR 51 Cb -0.15 -1.77 0.01 0.00 -0.40 0.00 0.00 41.96 39.65 1q38 s TYR 51 CO 0.10 0.21 -0.19 -2.00 -1.57 0.00 0.00 175.55 172.10 1q38 s GLU 52 N -3.97 2.56 -0.11 -0.62 2.56 0.10 -1.97 118.70 117.25 1q38 s GLU 52 Ca 0.40 -0.71 0.02 0.00 0.00 0.00 0.00 54.97 54.68 1q38 s GLU 52 Cb -0.05 -2.00 -0.01 0.00 2.00 0.00 0.00 34.13 34.07 1q38 s GLU 52 CO 0.26 0.10 -0.16 0.20 -0.56 0.00 0.00 175.26 175.10 1q38 s GLY 53 N 0.52 1.49 -0.16 -1.50 0.00 0.13 -2.41 107.32 105.38 1q38 s GLY 53 Ca -0.16 -0.93 -0.02 0.00 0.00 0.00 0.00 44.72 43.61 1q38 s GLY 53 CO 0.06 -0.35 0.02 1.20 0.00 0.00 0.00 173.10 174.03 1q38 s GLN 54 N 0.12 0.71 -0.41 2.90 -1.52 -0.10 -0.96 119.66 120.40 1q38 s GLN 54 Ca -0.08 -0.31 -0.10 0.00 -1.95 0.00 0.00 55.36 52.92 1q38 s GLN 54 Cb -0.15 -1.85 0.07 0.00 -0.22 0.00 0.00 33.01 30.86 1q38 s GLN 54 CO 0.05 -0.55 0.26 -0.51 -0.25 0.00 0.00 175.29 174.29 1q38 s LEU 55 N 1.87 5.11 -0.24 2.90 1.43 0.00 -1.73 118.68 128.03 1q38 s LEU 55 Ca 0.01 -1.43 0.00 0.00 -1.03 0.00 0.00 54.13 51.68 1q38 s LEU 55 Cb -0.16 -2.00 0.03 0.00 0.03 0.00 0.00 46.19 44.10 1q38 s LEU 55 CO -0.07 -0.52 -0.11 -0.63 0.23 0.00 0.00 176.35 175.25 1q38 s ILE 56 N 1.45 2.47 -0.33 -0.59 1.09 -0.78 -0.41 121.20 124.10 1q38 s ILE 56 Ca 0.03 -1.19 -0.21 0.00 -1.10 0.00 0.00 60.65 58.18 1q38 s ILE 56 Cb -0.23 -2.26 -0.00 0.00 -1.06 0.00 0.00 42.46 38.91 1q38 s ILE 56 CO 0.03 0.21 0.67 -0.55 -0.10 0.00 0.00 174.94 175.20 1q38 s SER 57 N 1.25 6.51 -0.26 3.58 0.15 0.24 -0.81 113.70 124.35 1q38 s SER 57 Ca -0.01 0.37 -0.09 0.00 0.70 0.00 0.00 55.95 56.92 1q38 s SER 57 Cb -0.17 -2.35 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 1q38 s SER 57 CO -0.07 -0.56 0.14 -0.63 1.20 0.00 0.00 173.24 173.32 1q38 s ILE 58 N 2.74 4.92 0.65 6.45 1.01 -0.30 -2.61 121.20 134.07 1q38 s ILE 58 Ca 0.27 0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.84 1q38 s ILE 58 Cb -0.14 -3.32 0.15 0.00 0.01 0.00 0.00 42.46 39.16 1q38 s ILE 58 CO 0.13 0.31 0.85 0.00 0.00 0.00 0.00 174.94 176.23 1q38 n GLN 59 N 4.83 -1.02 0.15 2.79 1.13 0.10 -2.40 117.38 122.96 1q38 n GLN 59 Ca -0.15 -1.31 0.00 0.00 -1.94 0.00 0.00 57.00 53.60 1q38 n GLN 59 Cb 0.52 -0.91 0.28 0.00 0.11 0.00 0.00 30.24 30.24 1q38 n GLN 59 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 1q38 h GLN 60 N 0.00 0.07 -0.10 -1.09 4.15 -1.96 -3.01 115.11 113.17 1q38 h GLN 60 Ca -0.28 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.11 1q38 h GLN 60 Cb 0.77 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.46 1q38 h GLN 60 CO 0.19 0.49 0.00 2.48 -1.93 0.00 0.00 178.83 180.07 1q38 n TYR 61 N -4.01 0.10 0.00 3.99 0.18 -1.26 -5.06 117.16 111.10 1q38 n TYR 61 Ca -0.02 -0.06 0.00 0.00 1.88 0.00 0.00 57.90 59.70 1q38 n TYR 61 Cb 0.47 -0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.43 1q38 n TYR 61 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1q38 n GLY 62 N 1.17 2.97 3.82 -7.48 0.00 -1.14 -5.13 105.19 99.41 1q38 n GLY 62 Ca 0.13 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 1q38 n GLY 62 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1q38 s HIS 63 N -2.00 3.15 0.00 1.61 -3.43 -1.26 0.00 115.29 113.36 1q38 s HIS 63 Ca 0.00 1.47 0.00 0.00 -0.80 0.00 0.00 55.06 55.73 1q38 s HIS 63 Cb 0.00 -2.92 0.00 0.00 -1.43 0.00 0.00 32.58 28.23 1q38 s HIS 63 CO 0.00 -0.97 0.00 0.00 -2.00 0.00 0.00 174.74 171.77 1q38 n GLN 64 N -2.25 0.66 -3.77 -0.38 10.64 -1.07 -4.83 117.38 116.37 1q38 n GLN 64 Ca 0.08 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.88 1q38 n GLN 64 Cb 0.53 -0.17 -0.13 0.00 -0.86 0.00 0.00 30.24 29.62 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 -0.67 3.51 -0.03 2.61 -6.30 -1.15 -5.00 118.70 111.67 1q38 s GLU 65 Ca 0.00 -0.57 0.01 0.00 -2.50 0.00 0.00 54.97 51.91 1q38 s GLU 65 Cb 0.00 -3.30 0.02 0.00 0.00 0.00 0.00 34.13 30.85 1q38 s GLU 65 CO 0.00 -0.24 -0.03 0.54 0.02 0.00 0.00 175.26 175.55 1q38 s VAL 66 N 1.58 0.36 -0.02 3.70 0.11 -1.26 0.79 120.40 125.66 1q38 s VAL 66 Ca 0.06 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.04 1q38 s VAL 66 Cb -0.15 -0.39 0.02 0.00 -1.53 0.00 0.00 36.38 34.33 1q38 s VAL 66 CO 0.02 0.16 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.06 1q38 s THR 67 N 0.66 0.20 -0.14 5.04 2.01 0.45 -4.99 115.64 118.86 1q38 s THR 67 Ca -0.08 0.02 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 1q38 s THR 67 Cb -0.11 -0.26 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 1q38 s THR 67 CO -0.01 0.12 -0.09 -0.13 -0.69 0.00 0.00 174.62 173.83 1q38 s ARG 68 N 0.71 3.50 -0.24 4.92 0.52 -1.26 -0.82 118.95 126.28 1q38 s ARG 68 Ca -0.07 -0.61 -0.13 0.00 -0.52 0.00 0.00 55.73 54.40 1q38 s ARG 68 Cb -0.10 -2.77 0.08 0.00 0.52 0.00 0.00 34.95 32.68 1q38 s ARG 68 CO -0.01 0.20 0.57 -0.59 0.02 0.00 0.00 175.30 175.49 1q38 s PHE 69 N 0.41 -0.90 -0.09 -0.53 -0.71 -0.13 -5.03 117.98 111.00 1q38 s PHE 69 Ca -0.07 1.80 -0.12 0.00 -1.04 0.00 0.00 56.93 57.49 1q38 s PHE 69 Cb -0.15 0.49 -0.05 0.00 -1.21 0.00 0.00 43.02 42.10 1q38 s PHE 69 CO 0.04 -0.47 0.30 0.16 -1.34 0.00 0.00 175.22 173.91 1q38 s ASP 70 N 1.70 6.57 0.06 1.98 1.47 -1.26 0.19 116.67 127.38 1q38 s ASP 70 Ca -0.09 0.68 -0.04 0.00 1.18 0.00 0.00 52.55 54.28 1q38 s ASP 70 Cb -0.07 -2.18 -0.03 0.00 -0.34 0.00 0.00 42.92 40.30 1q38 s ASP 70 CO -0.17 0.26 0.04 0.72 0.68 0.00 0.00 175.17 176.71 1q38 s PHE 71 N -0.50 0.38 0.40 2.11 -0.71 -0.83 -4.91 117.98 113.91 1q38 s PHE 71 Ca 0.19 -0.86 0.08 0.00 -1.04 0.00 0.00 56.93 55.30 1q38 s PHE 71 Cb -0.14 -0.27 -0.03 0.00 -1.21 0.00 0.00 43.02 41.37 1q38 s PHE 71 CO 0.08 -0.42 0.29 0.95 -1.34 0.00 0.00 175.22 174.78 1q38 s THR 72 N -3.70 2.66 0.00 -4.49 -4.23 -1.26 0.39 115.64 105.01 1q38 s THR 72 Ca 0.05 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1q38 s THR 72 Cb 0.06 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1q38 s THR 72 CO -0.09 -0.03 0.00 0.41 -0.54 0.00 0.00 174.62 174.36 1q38 n THR 73 N -1.40 -0.17 -4.21 3.99 -1.04 -0.50 -4.87 114.28 106.07 1q38 n THR 73 Ca 0.01 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.86 1q38 n THR 73 Cb 0.62 -0.34 -0.08 0.00 -1.82 0.00 0.00 70.33 68.71 1q38 n THR 73 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1q38 s THR 74 N -0.02 0.00 0.22 12.58 -4.23 0.29 -4.06 115.64 120.41 1q38 s THR 74 Ca 0.00 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1q38 s THR 74 Cb 0.00 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1q38 s THR 74 CO 0.00 0.00 0.00 -0.24 -0.54 0.00 0.00 174.62 173.84 1q38 n SER 75 N -1.05 -1.95 -2.40 3.99 2.88 -1.26 -0.05 113.62 113.78 1q38 n SER 75 Ca 0.04 0.53 -0.01 0.00 -1.33 0.00 0.00 58.87 58.10 1q38 n SER 75 Cb 0.63 2.02 -0.01 0.00 -0.75 0.00 0.00 64.21 66.11 1q38 n SER 75 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1q38 n THR 76 N -2.93-13.37 0.17 2.46 -2.24 -1.26 -4.89 114.28 92.22 1q38 n THR 76 Ca 0.00 3.10 -0.14 0.00 -2.27 0.00 0.00 64.05 64.74 1q38 n THR 76 Cb 0.00 -6.22 -0.07 0.00 -2.10 0.00 0.00 70.33 61.94 1q38 n THR 76 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1q38 h SER 77 N 4.22 -0.77 -6.17 3.42 0.02 -2.02 -3.48 113.55 108.77 1q38 h SER 77 Ca -0.13 0.08 -0.28 0.00 -0.84 0.00 0.00 61.79 60.61 1q38 h SER 77 Cb 0.30 0.27 0.01 0.00 0.14 0.00 0.00 62.40 63.12 1q38 h SER 77 CO 0.00 -0.40 -0.89 0.35 -1.14 0.00 0.00 176.83 174.76 1q38 n THR 78 N -5.40 -6.18 1.07 -2.27 -2.24 -1.26 -4.87 114.28 93.12 1q38 n THR 78 Ca -0.08 0.21 0.14 0.00 -2.27 0.00 0.00 64.05 62.05 1q38 n THR 78 Cb 0.31 -4.67 0.63 0.00 -2.10 0.00 0.00 70.33 64.49 1q38 n THR 78 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1q38 n PRO 79 N -0.94 0.11 0.00 -0.78 -0.04 -1.26 -4.74 135.00 127.35 1q38 n PRO 79 Ca -0.08 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1q38 n PRO 79 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 1.33 1.19 0.00 0.55 0.00 -1.26 -5.09 105.19 101.91 1q38 n GLY 80 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.00 0.00 1.61 7.64 -1.26 -4.93 113.62 116.68 1q38 n SER 81 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1q38 n SER 81 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 3.45 0.00 1.43 1.74 -1.26 -5.13 116.66 116.89 1q38 n ARG 82 Ca 0.00 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 1q38 n ARG 82 Cb 0.00 -0.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.92 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 -0.52 -1.63 -2.16 0.55 7.64 -1.26 -5.01 113.62 111.22 1q38 n SER 83 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 1q38 n SER 83 Cb 0.02 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 -4.06 0.53 1.43 -0.00 -1.26 -4.97 115.22 106.88 1q38 n HIS 84 Ca 0.00 2.41 0.05 0.00 -0.00 0.00 0.00 57.72 60.19 1q38 n HIS 84 Cb 0.00 -3.56 -0.04 0.00 -0.00 0.00 0.00 29.99 26.39 1q38 n HIS 84 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1q38 n HIS 85 N 1.54 0.00 -1.19 4.41 -0.00 -1.26 -5.01 115.22 113.72 1q38 n HIS 85 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 1q38 n HIS 85 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.04 1q38 n HIS 85 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1q38 n HIS 86 N -0.87 0.00 -4.41 4.41 8.25 -1.26 -5.06 115.22 116.28 1q38 n HIS 86 Ca 0.03 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.52 1q38 n HIS 86 Cb 0.20 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.30 1q38 n HIS 86 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1q38 n HIS 87 N 0.00 -2.18 0.07 4.41 -0.00 -1.26 -4.18 115.22 112.09 1q38 n HIS 87 Ca 0.00 0.25 -0.12 0.00 -0.00 0.00 0.00 57.72 57.86 1q38 n HIS 87 Cb 0.00 -0.23 -0.03 0.00 -0.00 0.00 0.00 29.99 29.73 1q38 n HIS 87 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1q38 h HIS 88 N -0.19 0.49 0.00 1.57 -0.00 -2.02 -3.55 115.15 111.46 1q38 h HIS 88 Ca 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 60.37 60.11 1q38 h HIS 88 Cb 0.19 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.54 1q38 h HIS 88 CO 0.00 1.08 0.00 0.72 -0.00 0.00 0.00 177.93 179.73