#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 1.19 0.00 3.17 0.63 -1.26 -5.12 116.66 115.27 1q38 n ARG 2 Ca 0.00 -3.27 0.00 0.00 -0.92 0.00 0.00 57.85 53.66 1q38 n ARG 2 Cb 0.00 -1.27 0.00 0.00 0.45 0.00 0.00 32.46 31.64 1q38 n ARG 2 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1q38 n GLY 3 N -0.09 0.16 3.14 5.14 0.00 -1.26 -4.87 105.19 107.41 1q38 n GLY 3 Ca 0.09 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 1q38 n GLY 3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1q38 s SER 4 N -0.48 5.37 0.00 1.61 0.15 -1.26 -4.92 113.70 114.18 1q38 s SER 4 Ca 0.00 -2.14 0.00 0.00 0.70 0.00 0.00 55.95 54.51 1q38 s SER 4 Cb 0.00 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 1q38 s SER 4 CO 0.00 -0.55 0.00 -3.20 1.20 0.00 0.00 173.24 170.69 1q38 n ASN 5 N 4.49 0.00 -3.99 5.45 5.15 -1.26 -5.04 115.26 120.06 1q38 n ASN 5 Ca -0.02 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.65 1q38 n ASN 5 Cb 0.41 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.52 1q38 n ASN 5 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1q38 s ALA 6 N -2.00 3.25 1.00 5.20 0.00 -1.26 -5.11 121.76 122.85 1q38 s ALA 6 Ca 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 51.96 48.87 1q38 s ALA 6 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1q38 s ALA 6 CO 0.00 -1.95 0.00 -2.30 0.00 0.00 0.00 175.76 171.51 1q38 n PRO 7 N 3.46 -0.36 -4.45 0.00 -0.02 -1.26 -4.84 135.00 127.54 1q38 n PRO 7 Ca 0.05 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.22 1q38 n PRO 7 Cb 0.35 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.72 1q38 n PRO 7 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1q38 s GLN 8 N -1.51 2.14 -1.58 -0.52 -2.07 -1.26 -4.91 119.66 109.95 1q38 s GLN 8 Ca 0.00 -0.97 -0.11 0.00 -1.82 0.00 0.00 55.36 52.46 1q38 s GLN 8 Cb 0.00 -2.27 -0.05 0.00 -1.09 0.00 0.00 33.01 29.60 1q38 s GLN 8 CO 0.00 0.53 2.79 -0.35 -1.32 0.00 0.00 175.29 176.94 1q38 n PRO 9 N 1.21 3.59 -0.46 9.60 -0.04 -1.26 -4.51 135.00 143.13 1q38 n PRO 9 Ca -0.15 -2.35 0.00 0.00 -0.04 0.00 0.00 63.50 60.95 1q38 n PRO 9 Cb 0.52 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 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 0.00 -3.84 3.54 7.64 -1.26 -4.87 113.62 118.81 1q38 n SER 10 Ca 0.73 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.49 1q38 n SER 10 Cb 0.26 -1.65 -0.06 0.00 -1.01 0.00 0.00 64.21 61.75 1q38 n SER 10 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1q38 s HIS 11 N -1.71 0.82 0.20 1.43 3.76 -1.26 -5.08 115.29 113.45 1q38 s HIS 11 Ca 0.00 -1.09 0.04 0.00 -0.15 0.00 0.00 55.06 53.86 1q38 s HIS 11 Cb 0.00 -0.13 -0.03 0.00 1.11 0.00 0.00 32.58 33.53 1q38 s HIS 11 CO 0.00 -0.93 0.29 -1.50 -0.85 0.00 0.00 174.74 171.76 1q38 s ILE 12 N -3.79 5.14 0.18 0.60 2.07 -1.26 -4.73 121.20 119.42 1q38 s ILE 12 Ca 0.30 -0.91 -0.13 0.00 -1.41 0.00 0.00 60.65 58.51 1q38 s ILE 12 Cb 0.02 -3.72 0.09 0.00 0.13 0.00 0.00 42.46 38.98 1q38 s ILE 12 CO 0.13 -0.21 1.84 -1.28 -1.91 0.00 0.00 174.94 173.52 1q38 h SER 13 N 1.73 0.63 -2.96 4.50 0.87 -1.84 -3.27 113.55 113.21 1q38 h SER 13 Ca -0.50 -0.01 0.16 0.00 -1.23 0.00 0.00 61.79 60.22 1q38 h SER 13 Cb 1.21 -0.15 -0.28 0.00 -0.44 0.00 0.00 62.40 62.74 1q38 h SER 13 CO 0.64 0.45 0.77 -1.59 -0.53 0.00 0.00 176.83 176.57 1q38 s LYS 14 N -6.14 0.23 -0.12 2.24 0.00 -1.08 -4.60 119.74 110.28 1q38 s LYS 14 Ca -0.13 0.16 -0.04 0.00 0.00 0.00 0.00 55.97 55.96 1q38 s LYS 14 Cb 0.13 0.11 -0.03 0.00 0.00 0.00 0.00 37.83 38.04 1q38 s LYS 14 CO 0.75 -0.05 0.03 0.71 0.00 0.00 0.00 175.35 176.79 1q38 s TYR 15 N -0.43 3.22 -0.14 1.78 2.02 -0.25 -0.73 117.35 122.82 1q38 s TYR 15 Ca 0.05 0.16 -0.00 0.00 -0.37 0.00 0.00 57.07 56.91 1q38 s TYR 15 Cb -0.03 -1.89 -0.01 0.00 -0.40 0.00 0.00 41.96 39.63 1q38 s TYR 15 CO -0.09 0.38 -0.13 0.42 -1.57 0.00 0.00 175.55 174.56 1q38 s ILE 16 N -0.51 2.93 -0.23 2.71 -1.09 0.06 -1.26 121.20 123.82 1q38 s ILE 16 Ca 0.09 -0.69 -0.01 0.00 -2.23 0.00 0.00 60.65 57.82 1q38 s ILE 16 Cb -0.12 -2.24 0.02 0.00 -1.58 0.00 0.00 42.46 38.54 1q38 s ILE 16 CO 0.02 0.51 -0.10 -0.22 -1.23 0.00 0.00 174.94 173.93 1q38 s LEU 17 N 0.59 2.91 -0.12 2.97 0.20 -0.53 -1.09 118.68 123.61 1q38 s LEU 17 Ca -0.08 -0.81 0.03 0.00 0.69 0.00 0.00 54.13 53.96 1q38 s LEU 17 Cb -0.16 -1.62 -0.00 0.00 -0.43 0.00 0.00 46.19 43.99 1q38 s LEU 17 CO 0.03 -0.09 -0.21 -0.13 -0.29 0.00 0.00 176.35 175.66 1q38 s ARG 18 N 1.31 3.11 -0.13 1.98 0.52 -0.89 -1.95 118.95 122.91 1q38 s ARG 18 Ca 0.01 -0.84 -0.16 0.00 -0.52 0.00 0.00 55.73 54.22 1q38 s ARG 18 Cb -0.16 -2.40 0.04 0.00 0.52 0.00 0.00 34.95 32.95 1q38 s ARG 18 CO -0.07 0.14 0.43 1.67 0.02 0.00 0.00 175.30 177.49 1q38 s TRP 19 N 0.46 -0.43 0.03 -0.53 -2.14 -1.00 -0.85 118.94 114.47 1q38 s TRP 19 Ca -0.15 0.99 -0.11 0.00 2.66 0.00 0.00 56.10 59.49 1q38 s TRP 19 Cb -0.17 0.17 0.01 0.00 -3.10 0.00 0.00 33.47 30.38 1q38 s TRP 19 CO 0.06 -0.29 0.24 0.50 -2.66 0.00 0.00 176.95 174.80 1q38 s ARG 20 N -0.18 0.70 0.11 3.25 3.00 -0.98 -1.24 118.95 123.61 1q38 s ARG 20 Ca -0.03 -0.50 -0.33 0.00 -1.00 0.00 0.00 55.73 53.86 1q38 s ARG 20 Cb -0.03 0.30 -0.12 0.00 0.00 0.00 0.00 34.95 35.09 1q38 s ARG 20 CO 0.02 -0.21 1.73 -2.30 0.00 0.00 0.00 175.30 174.54 1q38 n PRO 21 N 0.82 2.42 0.02 5.12 -0.02 -1.26 -0.35 135.00 141.74 1q38 n PRO 21 Ca -0.20 0.88 -0.13 0.00 -2.02 0.00 0.00 63.50 62.03 1q38 n PRO 21 Cb 0.58 -2.71 -0.14 0.00 -0.02 0.00 0.00 33.50 31.21 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 7.43 0.12 0.01 -0.52 1.57 -1.17 -2.64 116.57 121.38 1q38 h LYS 22 Ca -0.46 -0.20 -0.41 0.00 -1.87 0.00 0.00 60.65 57.71 1q38 h LYS 22 Cb 1.24 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 33.56 1q38 h LYS 22 CO 0.93 0.85 -2.45 -1.71 -0.57 0.00 0.00 179.45 176.50 1q38 n ASN 23 N -3.27 1.98 0.10 0.86 5.15 -1.24 -4.42 115.26 114.42 1q38 n ASN 23 Ca -0.18 0.07 0.12 0.00 -0.60 0.00 0.00 54.58 54.00 1q38 n ASN 23 Cb 1.04 -0.60 0.26 0.00 -0.53 0.00 0.00 39.78 39.95 1q38 n ASN 23 CO 0.00 0.00 0.00 -1.28 1.40 0.00 0.00 177.26 177.38 1q38 h SER 24 N -0.39 0.00 -2.83 1.20 0.87 -1.86 -3.50 113.55 107.04 1q38 h SER 24 Ca -0.61 -0.08 0.29 0.00 -1.23 0.00 0.00 61.79 60.15 1q38 h SER 24 Cb 1.79 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.64 1q38 h SER 24 CO -0.21 0.04 -0.68 1.33 -0.53 0.00 0.00 176.83 176.78 1q38 n VAL 25 N -2.32 0.00 0.00 2.23 0.24 -0.99 -4.99 118.33 112.50 1q38 n VAL 25 Ca 0.04 0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.69 1q38 n VAL 25 Cb 0.45 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 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 -3.76 0.11 3.67 7.63 0.00 -1.26 -4.58 105.19 106.99 1q38 n GLY 26 Ca -0.03 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 1q38 n GLY 26 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q38 s ARG 27 N -1.71 2.41 0.96 1.61 3.52 -1.26 -4.91 118.95 119.57 1q38 s ARG 27 Ca 0.00 -1.13 -0.15 0.00 -0.13 0.00 0.00 55.73 54.32 1q38 s ARG 27 Cb 0.00 -2.35 0.18 0.00 -1.56 0.00 0.00 34.95 31.22 1q38 s ARG 27 CO 0.00 0.45 1.24 -1.58 -0.81 0.00 0.00 175.30 174.60 1q38 s TRP 28 N -1.78 1.83 -0.01 5.12 0.52 -1.26 -4.54 118.94 118.82 1q38 s TRP 28 Ca 0.28 0.50 0.00 0.00 0.02 0.00 0.00 56.10 56.90 1q38 s TRP 28 Cb -0.09 -3.80 0.01 0.00 -1.15 0.00 0.00 33.47 28.44 1q38 s TRP 28 CO 0.19 -2.62 0.00 0.15 0.02 0.00 0.00 176.95 174.69 1q38 s LYS 29 N -5.67 0.08 -0.09 4.98 1.02 -0.38 -4.90 119.74 114.78 1q38 s LYS 29 Ca 0.70 0.05 0.05 0.00 0.02 0.00 0.00 55.97 56.78 1q38 s LYS 29 Cb -0.08 -0.18 -0.00 0.00 -0.52 0.00 0.00 37.83 37.05 1q38 s LYS 29 CO 0.53 -0.06 -0.24 -1.83 -0.92 0.00 0.00 175.35 172.83 1q38 s GLU 30 N 0.44 2.88 -0.05 1.68 -1.05 -1.23 -2.39 118.70 118.99 1q38 s GLU 30 Ca -0.04 -0.88 0.01 0.00 -0.15 0.00 0.00 54.97 53.90 1q38 s GLU 30 Cb -0.06 -2.25 0.02 0.00 -0.44 0.00 0.00 34.13 31.41 1q38 s GLU 30 CO -0.01 0.24 -0.03 0.00 0.95 0.00 0.00 175.26 176.40 1q38 s ALA 31 N 0.19 0.66 -0.17 -0.84 0.00 -0.82 -4.93 121.76 115.85 1q38 s ALA 31 Ca -0.14 -0.06 -0.08 0.00 0.00 0.00 0.00 51.96 51.68 1q38 s ALA 31 Cb -0.17 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1q38 s ALA 31 CO 0.07 -0.09 0.09 0.99 0.00 0.00 0.00 175.76 176.82 1q38 s THR 32 N 1.09 5.08 -0.21 0.00 2.01 -1.25 -1.45 115.64 120.91 1q38 s THR 32 Ca -0.08 0.06 -0.04 0.00 0.31 0.00 0.00 61.69 61.94 1q38 s THR 32 Cb -0.14 -3.28 0.07 0.00 0.01 0.00 0.00 72.50 69.17 1q38 s THR 32 CO -0.01 0.49 0.10 -0.63 -0.69 0.00 0.00 174.62 173.88 1q38 s ILE 33 N 0.08 -0.02 -0.66 1.82 1.09 -0.39 -4.89 121.20 118.24 1q38 s ILE 33 Ca 0.07 -0.40 -0.26 0.00 -1.10 0.00 0.00 60.65 58.96 1q38 s ILE 33 Cb -0.12 -0.75 0.04 0.00 -1.06 0.00 0.00 42.46 40.57 1q38 s ILE 33 CO 0.00 -0.42 1.15 -2.16 -0.10 0.00 0.00 174.94 173.41 1q38 s PRO 34 N 2.10 3.28 0.00 2.79 0.04 -1.26 -1.09 135.00 140.86 1q38 s PRO 34 Ca 0.04 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.86 1q38 s PRO 34 Cb -0.16 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.25 1q38 s PRO 34 CO -0.18 -1.87 0.00 0.41 0.04 0.00 0.00 177.00 175.40 1q38 n GLY 35 N 5.25 0.53 2.89 0.56 0.00 -1.24 -4.41 105.19 108.77 1q38 n GLY 35 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.84 -2.83 0.28 1.61 8.25 -1.25 -4.84 115.22 113.60 1q38 n HIS 36 Ca 0.00 1.24 0.16 0.00 -0.26 0.00 0.00 57.72 58.86 1q38 n HIS 36 Cb 0.02 -3.12 0.79 0.00 1.12 0.00 0.00 29.99 28.80 1q38 n HIS 36 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1q38 h LEU 37 N 3.09 0.00 0.00 2.41 -0.00 -1.91 -3.46 115.31 115.43 1q38 h LEU 37 Ca -0.02 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.90 1q38 h LEU 37 Cb 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.06 1q38 h LEU 37 CO 0.09 0.07 0.17 -0.46 -0.00 0.00 0.00 178.44 178.30 1q38 n ASN 38 N -3.31 -0.52 -4.58 -0.43 6.94 -1.26 -5.11 115.26 107.00 1q38 n ASN 38 Ca -0.01 -1.27 -0.42 0.00 -0.02 0.00 0.00 54.58 52.86 1q38 n ASN 38 Cb 0.24 0.84 -0.02 0.00 -2.36 0.00 0.00 39.78 38.48 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1q38 s SER 39 N -1.72 6.29 -0.35 0.53 1.04 -1.26 -4.98 113.70 113.24 1q38 s SER 39 Ca 0.07 0.33 -0.08 0.00 0.48 0.00 0.00 55.95 56.76 1q38 s SER 39 Cb -0.01 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.61 1q38 s SER 39 CO 0.02 -1.57 0.14 -0.47 0.98 0.00 0.00 173.24 172.34 1q38 s TYR 40 N 5.53 3.27 -0.12 5.02 5.04 -1.26 -5.07 117.35 129.75 1q38 s TYR 40 Ca 0.51 -1.35 0.03 0.00 -2.44 0.00 0.00 57.07 53.81 1q38 s TYR 40 Cb -0.10 -2.38 0.01 0.00 0.35 0.00 0.00 41.96 39.84 1q38 s TYR 40 CO 0.27 -0.73 -0.21 0.99 -1.34 0.00 0.00 175.55 174.53 1q38 s THR 41 N 1.43 1.92 -0.27 4.34 2.01 -1.26 -5.10 115.64 118.71 1q38 s THR 41 Ca -0.00 -0.91 -0.27 0.00 0.31 0.00 0.00 61.69 60.81 1q38 s THR 41 Cb -0.20 -1.70 0.01 0.00 0.01 0.00 0.00 72.50 70.62 1q38 s THR 41 CO 0.03 0.53 0.98 -0.63 -0.69 0.00 0.00 174.62 174.83 1q38 s ILE 42 N 0.75 4.67 -0.51 1.82 1.01 -1.26 -4.97 121.20 122.70 1q38 s ILE 42 Ca -0.10 1.74 0.05 0.00 0.00 0.00 0.00 60.65 62.34 1q38 s ILE 42 Cb -0.16 -4.28 0.20 0.00 0.01 0.00 0.00 42.46 38.23 1q38 s ILE 42 CO 0.01 -0.26 0.48 0.29 0.00 0.00 0.00 174.94 175.45 1q38 n LYS 43 N 6.41 1.05 -0.62 2.79 4.01 -1.26 -4.82 118.16 125.72 1q38 n LYS 43 Ca 0.10 -3.73 0.03 0.00 -0.51 0.00 0.00 58.31 54.19 1q38 n LYS 43 Cb 0.47 -1.81 0.03 0.00 -0.51 0.00 0.00 35.03 33.21 1q38 n LYS 43 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1q38 n GLY 44 N 2.02 1.48 0.00 0.72 0.00 -1.26 -5.08 105.19 103.07 1q38 n GLY 44 Ca 0.26 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.18 0.00 -3.50 0.99 7.99 -1.26 -5.08 117.00 115.96 1q38 n LEU 45 Ca 0.04 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.92 1q38 n LEU 45 Cb 0.77 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 44.05 1q38 n LEU 45 CO -0.01 0.00 0.57 -1.59 -1.51 0.00 0.00 177.39 174.85 1q38 s LYS 46 N 2.93 0.96 -0.19 3.23 -2.85 -1.26 -4.87 119.74 117.69 1q38 s LYS 46 Ca 0.00 -0.14 -0.32 0.00 -1.00 0.00 0.00 55.97 54.51 1q38 s LYS 46 Cb 0.00 0.45 -0.09 0.00 -2.06 0.00 0.00 37.83 36.12 1q38 s LYS 46 CO 0.00 -0.38 2.08 -0.35 0.10 0.00 0.00 175.35 176.81 1q38 n PRO 47 N 0.16 1.87 0.00 1.78 -0.04 -1.26 -2.11 135.00 135.41 1q38 n PRO 47 Ca -0.14 0.60 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1q38 n PRO 47 Cb 0.61 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 1q38 n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q38 n GLY 48 N 5.43 1.50 3.27 0.55 0.00 -1.26 -5.01 105.19 109.68 1q38 n GLY 48 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.34 2.01 0.09 1.61 1.01 -0.90 -4.99 120.40 117.89 1q38 s VAL 49 Ca 0.00 -1.06 0.07 0.00 0.00 0.00 0.00 61.98 61.00 1q38 s VAL 49 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1q38 s VAL 49 CO 0.00 0.56 -0.14 0.54 0.00 0.00 0.00 175.10 176.06 1q38 s VAL 50 N -0.32 3.11 0.01 2.92 0.11 -1.26 -4.48 120.40 120.48 1q38 s VAL 50 Ca 0.01 -1.31 0.05 0.00 -2.93 0.00 0.00 61.98 57.81 1q38 s VAL 50 Cb -0.12 -2.42 -0.03 0.00 -1.53 0.00 0.00 36.38 32.28 1q38 s VAL 50 CO 0.02 0.16 -0.15 -0.31 -3.33 0.00 0.00 175.10 171.50 1q38 s TYR 51 N -1.13 2.67 -0.03 1.54 1.51 -0.93 -0.56 117.35 120.42 1q38 s TYR 51 Ca 0.19 -0.18 -0.30 0.00 -1.01 0.00 0.00 57.07 55.76 1q38 s TYR 51 Cb -0.11 -1.54 -0.03 0.00 -0.11 0.00 0.00 41.96 40.18 1q38 s TYR 51 CO 0.11 0.26 1.01 -2.00 -1.11 0.00 0.00 175.55 173.81 1q38 s GLU 52 N -1.24 4.51 -0.06 -0.62 2.12 0.52 -2.19 118.70 121.74 1q38 s GLU 52 Ca 0.14 1.44 0.05 0.00 0.36 0.00 0.00 54.97 56.96 1q38 s GLU 52 Cb -0.11 -3.48 -0.00 0.00 0.26 0.00 0.00 34.13 30.80 1q38 s GLU 52 CO 0.05 -0.15 -0.21 0.20 -0.54 0.00 0.00 175.26 174.61 1q38 s GLY 53 N 1.05 1.16 -0.12 -1.50 0.00 -0.18 -2.32 107.32 105.41 1q38 s GLY 53 Ca 0.52 -0.87 -0.02 0.00 0.00 0.00 0.00 44.72 44.34 1q38 s GLY 53 CO 0.25 -0.43 -0.00 1.62 0.00 0.00 0.00 173.10 174.54 1q38 s GLN 54 N 0.08 0.78 -0.44 2.90 0.74 -0.03 -0.30 119.66 123.38 1q38 s GLN 54 Ca -0.08 -0.12 -0.15 0.00 0.05 0.00 0.00 55.36 55.05 1q38 s GLN 54 Cb -0.14 -1.44 0.04 0.00 1.10 0.00 0.00 33.01 32.58 1q38 s GLN 54 CO 0.04 -0.40 0.36 -1.17 -0.55 0.00 0.00 175.29 173.57 1q38 s LEU 55 N 1.89 5.32 -0.28 3.68 1.98 0.21 -2.10 118.68 129.38 1q38 s LEU 55 Ca 0.03 -1.08 -0.04 0.00 -2.89 0.00 0.00 54.13 50.15 1q38 s LEU 55 Cb -0.14 -2.19 0.02 0.00 0.66 0.00 0.00 46.19 44.54 1q38 s LEU 55 CO -0.07 -0.56 0.02 -0.63 -1.89 0.00 0.00 176.35 173.23 1q38 s ILE 56 N 1.72 3.47 0.13 6.68 1.09 -0.25 -0.58 121.20 133.47 1q38 s ILE 56 Ca 0.05 -0.87 -0.25 0.00 -1.10 0.00 0.00 60.65 58.47 1q38 s ILE 56 Cb -0.21 -2.80 -0.07 0.00 -1.06 0.00 0.00 42.46 38.32 1q38 s ILE 56 CO 0.09 0.11 0.78 -0.44 -0.10 0.00 0.00 174.94 175.38 1q38 s SER 57 N 1.41 7.35 -0.31 3.58 0.01 0.26 -0.76 113.70 125.25 1q38 s SER 57 Ca 0.01 1.61 -0.01 0.00 1.31 0.00 0.00 55.95 58.86 1q38 s SER 57 Cb -0.17 -2.50 0.06 0.00 0.21 0.00 0.00 66.02 63.62 1q38 s SER 57 CO -0.00 0.15 0.01 -0.63 0.41 0.00 0.00 173.24 173.18 1q38 s ILE 58 N -0.82 2.92 0.51 1.44 1.01 0.09 -1.48 121.20 124.87 1q38 s ILE 58 Ca 0.37 -1.52 -0.05 0.00 0.00 0.00 0.00 60.65 59.46 1q38 s ILE 58 Cb -0.22 -2.74 0.11 0.00 0.01 0.00 0.00 42.46 39.62 1q38 s ILE 58 CO 0.26 -0.18 0.70 1.67 0.00 0.00 0.00 174.94 177.38 1q38 n GLN 59 N 4.59 -0.28 0.33 2.79 -0.06 -0.74 -2.63 117.38 121.38 1q38 n GLN 59 Ca -0.11 -1.44 0.22 0.00 -2.00 0.00 0.00 57.00 53.66 1q38 n GLN 59 Cb 0.43 -0.60 1.13 0.00 -4.06 0.00 0.00 30.24 27.14 1q38 n GLN 59 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 1q38 h GLN 60 N 0.00 0.00 -0.56 3.69 1.08 -1.90 -0.72 115.11 116.69 1q38 h GLN 60 Ca -0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1q38 h GLN 60 Cb 0.72 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 1q38 h GLN 60 CO 0.20 0.00 0.00 2.48 -0.95 0.00 0.00 178.83 180.56 1q38 n TYR 61 N -3.15 1.44 0.00 2.96 4.11 -1.26 -5.04 117.16 116.21 1q38 n TYR 61 Ca -0.03 -0.66 0.00 0.00 -0.00 0.00 0.00 57.90 57.21 1q38 n TYR 61 Cb 0.10 -0.28 0.00 0.00 -0.00 0.00 0.00 39.34 39.16 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 0.77 1.58 3.49 -7.48 0.00 -0.28 -4.87 105.19 98.40 1q38 n GLY 62 Ca 0.24 -0.38 -0.50 0.00 0.00 0.00 0.00 46.02 45.38 1q38 n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1q38 n HIS 63 N 0.00 1.72 0.01 1.61 8.25 -1.26 -1.79 115.22 123.76 1q38 n HIS 63 Ca 0.00 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 1q38 n HIS 63 Cb 0.00 -2.55 0.00 0.00 1.12 0.00 0.00 29.99 28.56 1q38 n HIS 63 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1q38 n GLN 64 N 7.93 0.00 -3.95 -0.41 -0.06 -1.10 -4.74 117.38 115.05 1q38 n GLN 64 Ca 0.38 0.00 -0.11 0.00 -2.00 0.00 0.00 57.00 55.27 1q38 n GLN 64 Cb 0.24 -0.11 -0.12 0.00 -4.06 0.00 0.00 30.24 26.19 1q38 n GLN 64 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1q38 s GLU 65 N -1.23 0.21 -0.03 3.69 2.12 -0.55 -4.74 118.70 118.17 1q38 s GLU 65 Ca 0.00 -0.35 0.01 0.00 0.36 0.00 0.00 54.97 54.99 1q38 s GLU 65 Cb 0.00 0.01 0.01 0.00 0.26 0.00 0.00 34.13 34.41 1q38 s GLU 65 CO 0.00 -0.01 -0.05 0.08 -0.54 0.00 0.00 175.26 174.74 1q38 s VAL 66 N -0.79 0.48 -0.02 3.70 1.01 -1.26 0.91 120.40 124.43 1q38 s VAL 66 Ca -0.08 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1q38 s VAL 66 Cb -0.06 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.86 1q38 s VAL 66 CO -0.00 0.18 -0.03 -0.89 0.00 0.00 0.00 175.10 174.36 1q38 s THR 67 N 0.48 0.30 -0.20 3.92 2.01 0.26 -4.98 115.64 117.43 1q38 s THR 67 Ca -0.06 -0.07 -0.03 0.00 0.31 0.00 0.00 61.69 61.84 1q38 s THR 67 Cb -0.10 -0.32 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 1q38 s THR 67 CO -0.00 0.13 -0.06 -0.13 -0.69 0.00 0.00 174.62 173.88 1q38 s ARG 68 N 0.49 3.41 -0.22 4.92 0.52 -1.26 -0.62 118.95 126.19 1q38 s ARG 68 Ca -0.05 -0.62 -0.16 0.00 -0.52 0.00 0.00 55.73 54.38 1q38 s ARG 68 Cb -0.08 -2.94 0.06 0.00 0.52 0.00 0.00 34.95 32.51 1q38 s ARG 68 CO -0.01 -0.09 0.56 -0.59 0.02 0.00 0.00 175.30 175.20 1q38 s PHE 69 N 1.18 -0.76 -0.14 -0.53 -0.71 0.58 -5.02 117.98 112.59 1q38 s PHE 69 Ca 0.02 1.65 -0.07 0.00 -1.04 0.00 0.00 56.93 57.49 1q38 s PHE 69 Cb -0.14 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 41.99 1q38 s PHE 69 CO -0.01 -0.39 0.13 -0.51 -1.34 0.00 0.00 175.22 173.10 1q38 s ASP 70 N 1.04 6.27 0.10 1.98 1.01 -1.26 -1.01 116.67 124.80 1q38 s ASP 70 Ca -0.06 0.39 -0.15 0.00 0.71 0.00 0.00 52.55 53.44 1q38 s ASP 70 Cb -0.06 -2.04 0.03 0.00 1.01 0.00 0.00 42.92 41.86 1q38 s ASP 70 CO -0.10 0.35 0.36 0.72 0.21 0.00 0.00 175.17 176.71 1q38 s PHE 71 N -0.70 -0.14 0.17 4.23 -0.71 -0.93 -4.77 117.98 115.13 1q38 s PHE 71 Ca 0.13 -0.14 -0.05 0.00 -1.04 0.00 0.00 56.93 55.84 1q38 s PHE 71 Cb -0.12 0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 41.85 1q38 s PHE 71 CO 0.03 -0.63 0.19 -0.08 -1.34 0.00 0.00 175.22 173.38 1q38 s THR 72 N -3.49 0.06 0.11 -4.49 -1.32 -1.26 -2.19 115.64 103.05 1q38 s THR 72 Ca 0.01 -1.71 -0.14 0.00 -1.21 0.00 0.00 61.69 58.63 1q38 s THR 72 Cb 0.02 -2.10 -0.07 0.00 -1.51 0.00 0.00 72.50 68.84 1q38 s THR 72 CO -0.10 -0.26 1.45 0.00 -2.21 0.00 0.00 174.62 173.50 1q38 h THR 73 N 2.65 1.29 -3.05 5.08 1.03 -1.87 -3.47 112.91 114.57 1q38 h THR 73 Ca -0.33 -1.39 -0.11 0.00 -0.01 0.00 0.00 66.41 64.56 1q38 h THR 73 Cb 1.22 1.49 -0.03 0.00 -1.07 0.00 0.00 68.15 69.77 1q38 h THR 73 CO 0.52 0.45 -0.10 0.35 -0.01 0.00 0.00 175.52 176.73 1q38 n THR 74 N -4.28 0.00 -0.97 0.00 -2.24 -1.26 -5.03 114.28 100.50 1q38 n THR 74 Ca -0.03 -0.51 0.12 0.00 -2.27 0.00 0.00 64.05 61.36 1q38 n THR 74 Cb 0.45 0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 68.85 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 -2.26 -5.82 -4.66 3.42 2.88 -1.26 -4.68 113.62 101.24 1q38 n SER 75 Ca -0.00 0.68 -0.35 0.00 -1.33 0.00 0.00 58.87 57.88 1q38 n SER 75 Cb 0.13 -3.13 -0.10 0.00 -0.75 0.00 0.00 64.21 60.36 1q38 n SER 75 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1q38 s THR 76 N -2.82 4.55 0.00 2.46 -1.32 -1.26 -4.91 115.64 112.34 1q38 s THR 76 Ca 0.00 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 1q38 s THR 76 Cb 0.00 -2.99 0.00 0.00 -1.51 0.00 0.00 72.50 68.00 1q38 s THR 76 CO 0.00 0.54 0.00 -1.20 -2.21 0.00 0.00 174.62 171.75 1q38 n SER 77 N 2.86 0.00 -3.53 8.08 7.64 -1.26 -5.07 113.62 122.34 1q38 n SER 77 Ca -0.18 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.45 1q38 n SER 77 Cb 0.53 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.59 1q38 n SER 77 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1q38 s THR 78 N -0.87 -0.16 0.00 0.44 -1.32 -1.26 -5.08 115.64 107.39 1q38 s THR 78 Ca 0.00 -0.49 -0.00 0.00 -1.21 0.00 0.00 61.69 59.99 1q38 s THR 78 Cb 0.00 -0.84 0.00 0.00 -1.51 0.00 0.00 72.50 70.15 1q38 s THR 78 CO 0.00 -0.51 0.00 -0.81 -2.21 0.00 0.00 174.62 171.09 1q38 n PRO 79 N 5.28 -0.09 -2.23 7.08 -0.04 -1.26 -4.94 135.00 138.79 1q38 n PRO 79 Ca -0.06 -0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.99 1q38 n PRO 79 Cb 0.45 -0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 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 4.78 4.99 0.00 0.55 0.00 -1.26 -4.38 105.19 109.88 1q38 n GLY 80 Ca 0.00 -2.12 0.03 0.00 0.00 0.00 0.00 46.02 43.93 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 2.83 0.51 -1.24 1.61 7.64 -1.26 -5.04 113.62 118.66 1q38 n SER 81 Ca 0.48 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1q38 n SER 81 Cb 0.31 1.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.53 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 -1.18 2.61 -4.63 1.43 1.74 -1.26 -5.15 116.66 110.23 1q38 n ARG 82 Ca 0.01 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.78 1q38 n ARG 82 Cb 0.10 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.42 1q38 n ARG 82 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1q38 s SER 83 N -0.35 4.06 0.00 0.55 0.01 -1.26 -4.95 113.70 111.76 1q38 s SER 83 Ca 0.00 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1q38 s SER 83 Cb 0.00 -0.77 0.00 0.00 0.21 0.00 0.00 66.02 65.46 1q38 s SER 83 CO 0.00 0.27 0.00 1.57 0.41 0.00 0.00 173.24 175.49 1q38 n HIS 84 N 1.62 -0.81 -3.49 2.43 -0.00 -1.26 -5.16 115.22 108.55 1q38 n HIS 84 Ca -0.16 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 57.91 1q38 n HIS 84 Cb 0.52 0.16 -0.03 0.00 -0.12 0.00 0.00 29.99 30.53 1q38 n HIS 84 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1q38 s HIS 85 N -1.36 -0.45 -1.30 1.57 2.46 -1.26 -5.08 115.29 109.87 1q38 s HIS 85 Ca 0.00 0.20 -0.17 0.00 0.47 0.00 0.00 55.06 55.56 1q38 s HIS 85 Cb 0.00 0.49 0.08 0.00 -0.13 0.00 0.00 32.58 33.03 1q38 s HIS 85 CO 0.00 -0.83 1.72 1.58 -2.47 0.00 0.00 174.74 174.74 1q38 n HIS 86 N -0.35 4.64 -4.14 3.88 -0.00 -1.26 -4.89 115.22 113.10 1q38 n HIS 86 Ca -0.16 -2.92 -0.08 0.00 0.46 0.00 0.00 57.72 55.02 1q38 n HIS 86 Cb 0.65 -2.57 -0.03 0.00 -0.12 0.00 0.00 29.99 27.92 1q38 n HIS 86 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1q38 n HIS 87 N 7.87 -0.11 -2.89 1.57 -0.00 -1.26 -5.18 115.22 115.21 1q38 n HIS 87 Ca 0.47 -0.97 -0.04 0.00 -0.00 0.00 0.00 57.72 57.18 1q38 n HIS 87 Cb 0.45 0.05 0.02 0.00 -0.00 0.00 0.00 29.99 30.51 1q38 n HIS 87 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1q38 n HIS 88 N -0.28 -2.92 -0.41 4.41 -0.00 -1.26 -5.17 115.22 109.58 1q38 n HIS 88 Ca 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 57.72 57.28 1q38 n HIS 88 Cb 0.22 -0.13 0.00 0.00 -0.00 0.00 0.00 29.99 30.08 1q38 n HIS 88 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06