#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 0.00 0.00 2.12 0.63 -1.26 -4.96 116.66 113.19 1q38 n ARG 2 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1q38 n ARG 2 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 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 0.00 -1.65 3.52 5.14 0.00 -1.26 -5.18 105.19 105.76 1q38 n GLY 3 Ca 0.00 0.69 -0.28 0.00 0.00 0.00 0.00 46.02 46.43 1q38 n GLY 3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q38 n SER 4 N 0.00 -0.72 -2.77 1.61 3.41 -1.26 -4.96 113.62 108.93 1q38 n SER 4 Ca 0.00 -1.33 -0.38 0.00 -0.26 0.00 0.00 58.87 56.90 1q38 n SER 4 Cb 0.00 -0.96 0.04 0.00 -0.26 0.00 0.00 64.21 63.03 1q38 n SER 4 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1q38 n ASN 5 N -4.18 7.47 -2.64 4.04 0.23 -1.26 -4.92 115.26 114.00 1q38 n ASN 5 Ca 0.15 -3.77 -0.04 0.00 -0.53 0.00 0.00 54.58 50.39 1q38 n ASN 5 Cb 0.55 -1.07 -0.04 0.00 -2.08 0.00 0.00 39.78 37.15 1q38 n ASN 5 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1q38 n ALA 6 N -0.48 -3.66 -1.99 -2.53 0.00 -1.26 -4.92 120.51 105.67 1q38 n ALA 6 Ca 0.55 1.96 -0.41 0.00 0.00 0.00 0.00 53.44 55.54 1q38 n ALA 6 Cb 0.34 -3.85 -0.03 0.00 0.00 0.00 0.00 19.45 15.91 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 -0.92 4.42 -0.05 0.00 0.04 -1.26 -5.04 135.00 132.18 1q38 s PRO 7 Ca -0.22 2.02 0.02 0.00 0.04 0.00 0.00 61.00 62.86 1q38 s PRO 7 Cb 0.01 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.37 1q38 s PRO 7 CO 0.80 -0.19 -0.09 1.14 0.04 0.00 0.00 177.00 178.69 1q38 s GLN 8 N -0.33 1.21 -1.22 4.56 -2.07 -1.26 -5.07 119.66 115.48 1q38 s GLN 8 Ca 0.55 -0.29 -0.21 0.00 -1.82 0.00 0.00 55.36 53.59 1q38 s GLN 8 Cb -0.36 -1.08 -0.02 0.00 -1.09 0.00 0.00 33.01 30.46 1q38 s GLN 8 CO 0.39 0.03 1.85 -1.25 -1.32 0.00 0.00 175.29 174.98 1q38 s PRO 9 N 0.58 3.10 0.52 9.60 0.04 -1.26 -4.74 135.00 142.84 1q38 s PRO 9 Ca -0.10 -1.46 0.26 0.00 0.04 0.00 0.00 61.00 59.74 1q38 s PRO 9 Cb -0.13 -5.35 1.42 0.00 0.04 0.00 0.00 34.50 30.47 1q38 s PRO 9 CO 0.02 -3.26 2.07 0.77 0.04 0.00 0.00 177.00 176.64 1q38 h SER 10 N 8.95 0.00 0.00 6.66 0.02 -1.98 -3.46 113.55 123.74 1q38 h SER 10 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1q38 h SER 10 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1q38 h SER 10 CO 1.32 0.12 0.00 1.41 -1.14 0.00 0.00 176.83 178.54 1q38 n HIS 11 N -3.73 0.00 -4.00 3.45 8.25 -1.26 -3.67 115.22 114.26 1q38 n HIS 11 Ca -0.02 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.20 1q38 n HIS 11 Cb 0.23 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 1q38 n HIS 11 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1q38 s ILE 12 N 0.00 5.06 0.07 1.59 1.10 -1.26 -4.98 121.20 122.78 1q38 s ILE 12 Ca 0.00 -0.95 0.04 0.00 -0.51 0.00 0.00 60.65 59.24 1q38 s ILE 12 Cb 0.00 -3.68 -0.24 0.00 0.15 0.00 0.00 42.46 38.70 1q38 s ILE 12 CO 0.00 -0.21 1.10 -1.28 -2.11 0.00 0.00 174.94 172.44 1q38 h SER 13 N 1.74 0.13 -2.81 4.50 0.87 -1.76 -2.43 113.55 113.80 1q38 h SER 13 Ca -0.50 -0.16 0.17 0.00 -1.23 0.00 0.00 61.79 60.08 1q38 h SER 13 Cb 1.21 -0.04 -0.29 0.00 -0.44 0.00 0.00 62.40 62.84 1q38 h SER 13 CO 0.64 1.13 0.80 -1.59 -0.53 0.00 0.00 176.83 177.27 1q38 s LYS 14 N -2.67 0.19 -0.03 2.24 -2.85 -1.08 -4.50 119.74 111.04 1q38 s LYS 14 Ca -0.02 0.15 0.01 0.00 -1.00 0.00 0.00 55.97 55.10 1q38 s LYS 14 Cb 0.09 0.09 -0.03 0.00 -2.06 0.00 0.00 37.83 35.91 1q38 s LYS 14 CO 0.84 -0.04 -0.01 0.71 0.10 0.00 0.00 175.35 176.95 1q38 s TYR 15 N -0.36 3.07 -0.18 1.78 2.02 0.64 -1.40 117.35 122.92 1q38 s TYR 15 Ca 0.06 0.09 -0.01 0.00 -0.37 0.00 0.00 57.07 56.84 1q38 s TYR 15 Cb -0.03 -1.70 -0.00 0.00 -0.40 0.00 0.00 41.96 39.83 1q38 s TYR 15 CO -0.10 0.45 -0.11 0.42 -1.57 0.00 0.00 175.55 174.64 1q38 s ILE 16 N -1.01 2.93 -0.29 2.71 -1.09 0.09 -0.43 121.20 124.12 1q38 s ILE 16 Ca 0.17 -0.66 -0.06 0.00 -2.23 0.00 0.00 60.65 57.88 1q38 s ILE 16 Cb -0.11 -2.28 0.01 0.00 -1.58 0.00 0.00 42.46 38.50 1q38 s ILE 16 CO 0.07 0.48 0.05 -0.22 -1.23 0.00 0.00 174.94 174.09 1q38 s LEU 17 N 1.11 3.73 -0.09 2.97 2.96 -0.63 -1.20 118.68 127.52 1q38 s LEU 17 Ca 0.01 -0.77 0.03 0.00 -0.22 0.00 0.00 54.13 53.18 1q38 s LEU 17 Cb -0.14 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 44.72 1q38 s LEU 17 CO -0.03 -0.18 -0.20 0.00 -1.32 0.00 0.00 176.35 174.62 1q38 s ARG 18 N 1.45 2.58 -0.02 1.98 1.70 -1.10 -1.44 118.95 124.10 1q38 s ARG 18 Ca 0.02 -0.72 -0.16 0.00 -0.47 0.00 0.00 55.73 54.40 1q38 s ARG 18 Cb -0.17 -2.00 0.03 0.00 -0.57 0.00 0.00 34.95 32.23 1q38 s ARG 18 CO 0.01 0.11 0.34 1.67 -1.08 0.00 0.00 175.30 176.35 1q38 s TRP 19 N 0.49 -0.23 -0.10 5.89 -2.14 -0.94 -0.85 118.94 121.05 1q38 s TRP 19 Ca -0.17 0.37 -0.19 0.00 2.66 0.00 0.00 56.10 58.77 1q38 s TRP 19 Cb -0.17 0.12 0.04 0.00 -3.10 0.00 0.00 33.47 30.37 1q38 s TRP 19 CO 0.06 -0.39 0.48 -0.98 -2.66 0.00 0.00 176.95 173.46 1q38 s ARG 20 N -1.22 0.71 -0.22 3.25 3.03 -0.32 -0.86 118.95 123.32 1q38 s ARG 20 Ca -0.13 0.31 -0.29 0.00 2.03 0.00 0.00 55.73 57.66 1q38 s ARG 20 Cb -0.05 0.33 -0.06 0.00 -1.03 0.00 0.00 34.95 34.15 1q38 s ARG 20 CO 0.04 -0.16 2.21 -2.30 -1.13 0.00 0.00 175.30 173.96 1q38 n PRO 21 N 1.90 1.93 0.30 3.89 -0.02 -1.25 -2.23 135.00 139.51 1q38 n PRO 21 Ca -0.17 0.54 0.20 0.00 -2.02 0.00 0.00 63.50 62.04 1q38 n PRO 21 Cb 0.56 -3.16 0.95 0.00 -0.02 0.00 0.00 33.50 31.84 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 14.66 0.00 0.00 -0.52 1.57 -1.90 -1.25 116.57 129.14 1q38 h LYS 22 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1q38 h LYS 22 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1q38 h LYS 22 CO 0.96 0.00 0.00 -0.91 -0.57 0.00 0.00 179.45 178.93 1q38 h ASN 23 N 0.00 0.00 -1.62 0.86 2.35 -1.88 -3.45 115.58 111.84 1q38 h ASN 23 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1q38 h ASN 23 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1q38 h ASN 23 CO 0.00 0.00 0.00 -0.24 -1.65 0.00 0.00 177.43 175.54 1q38 n SER 24 N -2.81 1.76 -4.17 5.81 2.88 -0.47 -5.14 113.62 111.48 1q38 n SER 24 Ca 0.01 -0.25 -0.32 0.00 -1.33 0.00 0.00 58.87 56.98 1q38 n SER 24 Cb 0.30 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.60 1q38 n SER 24 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1q38 s VAL 25 N 0.65 2.05 0.00 2.46 1.01 -1.26 -4.95 120.40 120.36 1q38 s VAL 25 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1q38 s VAL 25 Cb 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1q38 s VAL 25 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1q38 n GLY 26 N 4.01 2.22 2.98 4.51 0.00 -1.26 -4.96 105.19 112.69 1q38 n GLY 26 Ca -0.20 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 10.32 -1.99 -1.65 1.61 3.00 -1.26 -4.47 116.66 122.22 1q38 n ARG 27 Ca 0.00 0.73 -0.29 0.00 -0.01 0.00 0.00 57.85 58.28 1q38 n ARG 27 Cb 0.00 -5.16 0.17 0.00 0.00 0.00 0.00 32.46 27.47 1q38 n ARG 27 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1q38 s TRP 28 N -3.33 1.78 -0.05 -1.55 0.52 -1.26 -4.42 118.94 110.64 1q38 s TRP 28 Ca 0.38 0.55 -0.02 0.00 0.02 0.00 0.00 56.10 57.03 1q38 s TRP 28 Cb -0.05 -3.71 0.03 0.00 -1.15 0.00 0.00 33.47 28.59 1q38 s TRP 28 CO 0.62 -2.72 0.10 0.15 0.02 0.00 0.00 176.95 175.13 1q38 s LYS 29 N -5.59 0.06 -0.06 4.98 1.02 -0.04 -4.92 119.74 115.20 1q38 s LYS 29 Ca 0.69 0.27 0.06 0.00 0.02 0.00 0.00 55.97 57.01 1q38 s LYS 29 Cb -0.09 -0.14 -0.01 0.00 -0.52 0.00 0.00 37.83 37.07 1q38 s LYS 29 CO 0.53 -0.13 -0.25 -1.83 -0.92 0.00 0.00 175.35 172.76 1q38 s GLU 30 N 0.89 2.54 -0.16 1.68 4.04 -1.25 -2.22 118.70 124.23 1q38 s GLU 30 Ca -0.07 -0.90 -0.04 0.00 0.04 0.00 0.00 54.97 54.00 1q38 s GLU 30 Cb -0.09 -2.17 0.06 0.00 0.02 0.00 0.00 34.13 31.95 1q38 s GLU 30 CO -0.04 0.40 0.11 0.00 -1.84 0.00 0.00 175.26 173.89 1q38 s ALA 31 N -0.20 0.24 -0.04 -0.84 0.00 -0.52 -4.95 121.76 115.45 1q38 s ALA 31 Ca -0.02 -0.09 -0.21 0.00 0.00 0.00 0.00 51.96 51.63 1q38 s ALA 31 Cb -0.13 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.92 1q38 s ALA 31 CO 0.03 -1.06 0.62 0.99 0.00 0.00 0.00 175.76 176.34 1q38 s THR 32 N 2.19 4.98 -0.22 0.00 2.01 -1.25 -1.61 115.64 121.73 1q38 s THR 32 Ca 0.03 1.29 -0.04 0.00 0.31 0.00 0.00 61.69 63.28 1q38 s THR 32 Cb -0.15 -3.96 0.08 0.00 0.01 0.00 0.00 72.50 68.48 1q38 s THR 32 CO -0.09 0.35 0.12 0.27 -0.69 0.00 0.00 174.62 174.58 1q38 s ILE 33 N 0.26 -0.10 1.38 1.82 -4.36 0.43 -4.88 121.20 115.74 1q38 s ILE 33 Ca 0.33 -0.42 -0.22 0.00 -0.26 0.00 0.00 60.65 60.08 1q38 s ILE 33 Cb -0.18 -0.76 0.35 0.00 1.25 0.00 0.00 42.46 43.12 1q38 s ILE 33 CO 0.17 -0.47 0.78 -0.81 0.24 0.00 0.00 174.94 174.85 1q38 n PRO 34 N 5.27 -4.28 -1.85 0.37 -0.04 -1.26 -0.26 135.00 132.94 1q38 n PRO 34 Ca -0.06 -1.31 -0.21 0.00 -0.04 0.00 0.00 63.50 61.87 1q38 n PRO 34 Cb 0.46 -1.80 -0.06 0.00 -0.04 0.00 0.00 33.50 32.06 1q38 n PRO 34 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1q38 s GLY 35 N -2.89 -0.26 0.00 0.55 0.00 -0.92 -3.17 107.32 100.63 1q38 s GLY 35 Ca 0.60 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1q38 s GLY 35 CO 0.51 3.81 0.00 1.42 0.00 0.00 0.00 173.10 178.83 1q38 n HIS 36 N 16.03 -1.38 1.63 1.90 -0.00 -1.26 -4.71 115.22 127.43 1q38 n HIS 36 Ca 0.43 0.01 0.15 0.00 -0.00 0.00 0.00 57.72 58.31 1q38 n HIS 36 Cb 0.45 0.29 0.82 0.00 -0.00 0.00 0.00 29.99 31.56 1q38 n HIS 36 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1q38 n LEU 37 N -2.55 0.00 0.00 2.41 7.99 -1.19 -4.95 117.00 118.71 1q38 n LEU 37 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 56.01 56.17 1q38 n LEU 37 Cb 0.00 -0.17 0.00 0.00 -0.11 0.00 0.00 43.42 43.14 1q38 n LEU 37 CO 0.00 -0.00 0.00 -0.46 -1.51 0.00 0.00 177.39 175.42 1q38 n ASN 38 N -1.17 0.00 -4.60 -1.43 6.94 -1.26 -4.04 115.26 109.70 1q38 n ASN 38 Ca 0.18 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.32 1q38 n ASN 38 Cb 0.19 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.55 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 -4.00 6.58 -0.10 0.53 0.01 -1.26 -4.91 113.70 110.55 1q38 s SER 39 Ca 0.00 0.54 -0.26 0.00 1.31 0.00 0.00 55.95 57.53 1q38 s SER 39 Cb 0.00 -2.37 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 1q38 s SER 39 CO 0.00 -0.56 0.85 -0.47 0.41 0.00 0.00 173.24 173.47 1q38 s TYR 40 N 2.81 3.52 0.05 2.43 5.04 -1.26 -5.05 117.35 124.90 1q38 s TYR 40 Ca 0.29 1.38 -0.04 0.00 -2.44 0.00 0.00 57.07 56.27 1q38 s TYR 40 Cb -0.14 -3.00 -0.05 0.00 0.35 0.00 0.00 41.96 39.12 1q38 s TYR 40 CO 0.12 -0.11 0.27 -0.08 -1.34 0.00 0.00 175.55 174.41 1q38 s THR 41 N 1.57 5.31 -0.16 4.34 -1.32 -1.26 -5.09 115.64 119.02 1q38 s THR 41 Ca 0.42 -0.05 -0.05 0.00 -1.21 0.00 0.00 61.69 60.80 1q38 s THR 41 Cb -0.18 -3.59 -0.03 0.00 -1.51 0.00 0.00 72.50 67.18 1q38 s THR 41 CO 0.18 0.23 0.01 -0.63 -2.21 0.00 0.00 174.62 172.19 1q38 s ILE 42 N -1.44 4.36 0.00 5.08 1.01 -1.26 -5.09 121.20 123.86 1q38 s ILE 42 Ca 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.78 1q38 s ILE 42 Cb -0.13 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1q38 s ILE 42 CO 0.21 0.49 0.00 2.29 0.00 0.00 0.00 174.94 177.94 1q38 n LYS 43 N 3.36 0.00 -2.83 2.79 2.85 -1.26 -4.87 118.16 118.20 1q38 n LYS 43 Ca -0.17 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.69 1q38 n LYS 43 Cb 0.52 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.84 1q38 n LYS 43 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1q38 s GLY 44 N 0.00 3.04 0.00 2.58 0.00 -1.26 -4.87 107.32 106.81 1q38 s GLY 44 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1q38 s GLY 44 CO 0.00 1.07 0.51 1.04 0.00 0.00 0.00 173.10 175.73 1q38 n LEU 45 N 1.50 0.91 -1.36 0.66 7.99 -1.26 -5.05 117.00 120.38 1q38 n LEU 45 Ca -0.03 -0.91 0.07 0.00 -0.01 0.00 0.00 56.01 55.14 1q38 n LEU 45 Cb 0.48 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.75 1q38 n LEU 45 CO 0.49 0.23 -0.51 0.29 -1.51 0.00 0.00 177.39 176.38 1q38 n LYS 46 N -0.12 -3.39 -2.20 3.23 5.02 -1.26 -4.60 118.16 114.84 1q38 n LYS 46 Ca 0.00 2.69 -0.32 0.00 -2.02 0.00 0.00 58.31 58.66 1q38 n LYS 46 Cb 0.17 -3.57 -0.01 0.00 -0.02 0.00 0.00 35.03 31.60 1q38 n LYS 46 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1q38 s PRO 47 N -4.78 3.70 0.00 1.97 0.04 -1.26 -3.63 135.00 131.05 1q38 s PRO 47 Ca 0.00 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1q38 s PRO 47 Cb 0.00 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1q38 s PRO 47 CO 0.00 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.97 1q38 n GLY 48 N -1.62 0.53 3.13 0.56 0.00 -1.26 -4.93 105.19 101.60 1q38 n GLY 48 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.49 2.47 0.23 1.61 1.01 -1.24 -5.00 120.40 116.99 1q38 s VAL 49 Ca 0.00 -1.34 -0.12 0.00 0.00 0.00 0.00 61.98 60.51 1q38 s VAL 49 Cb 0.00 -2.34 -0.08 0.00 0.00 0.00 0.00 36.38 33.97 1q38 s VAL 49 CO 0.00 0.10 0.59 -0.69 0.00 0.00 0.00 175.10 175.10 1q38 s VAL 50 N 1.21 4.84 -0.24 2.92 1.01 -1.26 -4.72 120.40 124.16 1q38 s VAL 50 Ca -0.04 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 1q38 s VAL 50 Cb -0.18 -3.66 0.08 0.00 0.00 0.00 0.00 36.38 32.62 1q38 s VAL 50 CO -0.05 0.00 0.10 -0.31 0.00 0.00 0.00 175.10 174.85 1q38 s TYR 51 N -1.74 0.46 -0.12 5.22 2.02 -1.02 -2.89 117.35 119.28 1q38 s TYR 51 Ca 0.46 -0.76 -0.20 0.00 -0.37 0.00 0.00 57.07 56.21 1q38 s TYR 51 Cb -0.12 -0.91 -0.04 0.00 -0.40 0.00 0.00 41.96 40.49 1q38 s TYR 51 CO 0.20 -0.70 0.55 -2.00 -1.57 0.00 0.00 175.55 172.03 1q38 s GLU 52 N 2.05 4.33 0.00 -0.62 2.12 -0.95 -2.03 118.70 123.61 1q38 s GLU 52 Ca 0.06 0.57 -0.03 0.00 0.36 0.00 0.00 54.97 55.92 1q38 s GLU 52 Cb -0.16 -3.47 -0.01 0.00 0.26 0.00 0.00 34.13 30.75 1q38 s GLU 52 CO -0.24 0.06 0.05 0.20 -0.54 0.00 0.00 175.26 174.80 1q38 s GLY 53 N 0.79 0.11 -0.01 -1.50 0.00 -0.31 -1.17 107.32 105.23 1q38 s GLY 53 Ca 0.29 -0.26 0.02 0.00 0.00 0.00 0.00 44.72 44.78 1q38 s GLY 53 CO 0.12 -0.34 -0.08 -0.86 0.00 0.00 0.00 173.10 171.94 1q38 s GLN 54 N -1.13 0.68 -0.44 2.90 0.00 -0.03 -0.19 119.66 121.45 1q38 s GLN 54 Ca -0.12 -0.27 -0.15 0.00 -0.00 0.00 0.00 55.36 54.82 1q38 s GLN 54 Cb -0.07 -0.66 0.04 0.00 0.00 0.00 0.00 33.01 32.32 1q38 s GLN 54 CO 0.00 0.15 0.34 -1.17 0.00 0.00 0.00 175.29 174.61 1q38 s LEU 55 N -0.07 5.34 -0.35 2.60 0.20 0.38 -2.70 118.68 124.08 1q38 s LEU 55 Ca 0.01 -1.09 -0.12 0.00 0.69 0.00 0.00 54.13 53.62 1q38 s LEU 55 Cb -0.04 -2.17 -0.00 0.00 -0.43 0.00 0.00 46.19 43.54 1q38 s LEU 55 CO -0.00 -0.54 0.22 -0.63 -0.29 0.00 0.00 176.35 175.11 1q38 s ILE 56 N 1.66 5.01 0.04 6.68 1.09 -0.35 -2.74 121.20 132.60 1q38 s ILE 56 Ca 0.05 -0.41 -0.22 0.00 -1.10 0.00 0.00 60.65 58.97 1q38 s ILE 56 Cb -0.21 -3.63 -0.06 0.00 -1.06 0.00 0.00 42.46 37.50 1q38 s ILE 56 CO 0.09 -0.06 0.66 -0.44 -0.10 0.00 0.00 174.94 175.08 1q38 s SER 57 N 1.67 7.10 -0.09 3.58 0.01 0.16 -0.73 113.70 125.40 1q38 s SER 57 Ca 0.05 1.31 0.04 0.00 1.31 0.00 0.00 55.95 58.66 1q38 s SER 57 Cb -0.18 -2.41 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 1q38 s SER 57 CO 0.09 0.12 -0.22 -0.63 0.41 0.00 0.00 173.24 173.01 1q38 s ILE 58 N -0.43 2.25 0.43 1.44 1.09 -0.49 -0.23 121.20 125.26 1q38 s ILE 58 Ca 0.33 -0.97 0.00 0.00 -1.10 0.00 0.00 60.65 58.91 1q38 s ILE 58 Cb -0.20 -1.86 0.08 0.00 -1.06 0.00 0.00 42.46 39.43 1q38 s ILE 58 CO 0.20 0.56 0.59 1.67 -0.10 0.00 0.00 174.94 177.86 1q38 n GLN 59 N 3.24 0.21 0.26 2.79 7.27 -0.34 -2.62 117.38 128.19 1q38 n GLN 59 Ca -0.18 -1.63 0.08 0.00 0.07 0.00 0.00 57.00 55.35 1q38 n GLN 59 Cb 0.53 -0.39 0.65 0.00 2.41 0.00 0.00 30.24 33.44 1q38 n GLN 59 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 1q38 h GLN 60 N 0.00 0.00 -0.56 3.69 4.20 -1.95 -1.07 115.11 119.42 1q38 h GLN 60 Ca -0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1q38 h GLN 60 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1q38 h GLN 60 CO 0.21 0.02 0.00 2.48 -0.67 0.00 0.00 178.83 180.87 1q38 n TYR 61 N -4.45 0.74 0.00 2.96 0.18 -1.26 -5.06 117.16 110.27 1q38 n TYR 61 Ca -0.03 -0.40 0.00 0.00 1.88 0.00 0.00 57.90 59.35 1q38 n TYR 61 Cb 0.10 -0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.06 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 1.48 0.68 1.19 -7.48 0.00 -0.41 -5.11 105.19 95.55 1q38 n GLY 62 Ca 0.21 -1.58 0.10 0.00 0.00 0.00 0.00 46.02 44.76 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 0.98 -3.22 0.01 1.61 8.25 -1.26 -4.24 115.22 117.34 1q38 n HIS 63 Ca 0.00 1.77 0.00 0.00 -0.26 0.00 0.00 57.72 59.23 1q38 n HIS 63 Cb 0.00 -2.89 0.00 0.00 1.12 0.00 0.00 29.99 28.22 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 -3.48 0.00 -3.83 -0.41 -0.06 0.68 -1.20 117.38 109.08 1q38 n GLN 64 Ca -0.06 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.82 1q38 n GLN 64 Cb 0.51 0.00 -0.11 0.00 -4.06 0.00 0.00 30.24 26.58 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 -2.00 0.33 -0.14 3.69 2.12 -0.24 -4.90 118.70 117.56 1q38 s GLU 65 Ca 0.00 -0.01 -0.02 0.00 0.36 0.00 0.00 54.97 55.29 1q38 s GLU 65 Cb 0.00 0.15 0.05 0.00 0.26 0.00 0.00 34.13 34.59 1q38 s GLU 65 CO 0.00 -0.07 0.02 0.08 -0.54 0.00 0.00 175.26 174.76 1q38 s VAL 66 N -0.53 0.43 -0.06 3.70 1.01 -1.26 0.38 120.40 124.07 1q38 s VAL 66 Ca -0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1q38 s VAL 66 Cb -0.04 -0.80 0.03 0.00 0.00 0.00 0.00 36.38 35.57 1q38 s VAL 66 CO 0.01 -0.02 0.02 -0.89 0.00 0.00 0.00 175.10 174.22 1q38 s THR 67 N 1.92 0.20 -0.15 3.92 2.01 -1.11 -5.01 115.64 117.42 1q38 s THR 67 Ca 0.02 0.22 -0.11 0.00 0.31 0.00 0.00 61.69 62.13 1q38 s THR 67 Cb -0.15 -0.38 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 1q38 s THR 67 CO -0.07 0.22 0.22 -0.13 -0.69 0.00 0.00 174.62 174.17 1q38 s ARG 68 N 1.97 4.06 -0.14 4.92 0.52 -1.26 -0.47 118.95 128.55 1q38 s ARG 68 Ca 0.04 -0.03 -0.08 0.00 -0.52 0.00 0.00 55.73 55.14 1q38 s ARG 68 Cb -0.12 -3.37 0.05 0.00 0.52 0.00 0.00 34.95 32.03 1q38 s ARG 68 CO -0.04 0.39 0.34 -0.59 0.02 0.00 0.00 175.30 175.42 1q38 s PHE 69 N 0.04 -0.47 -0.00 -0.53 -0.71 0.73 -4.96 117.98 112.08 1q38 s PHE 69 Ca 0.14 1.05 -0.11 0.00 -1.04 0.00 0.00 56.93 56.97 1q38 s PHE 69 Cb -0.12 0.17 -0.05 0.00 -1.21 0.00 0.00 43.02 41.80 1q38 s PHE 69 CO 0.03 -0.28 0.34 -0.51 -1.34 0.00 0.00 175.22 173.46 1q38 s ASP 70 N 1.19 6.66 0.13 1.98 1.11 -1.26 -1.16 116.67 125.32 1q38 s ASP 70 Ca -0.08 0.79 -0.15 0.00 0.18 0.00 0.00 52.55 53.29 1q38 s ASP 70 Cb -0.08 -2.18 0.03 0.00 1.07 0.00 0.00 42.92 41.75 1q38 s ASP 70 CO -0.09 0.30 0.38 0.72 1.18 0.00 0.00 175.17 177.65 1q38 s PHE 71 N -1.17 -0.12 0.19 4.23 -0.71 -0.86 -4.38 117.98 115.17 1q38 s PHE 71 Ca 0.25 -0.22 -0.09 0.00 -1.04 0.00 0.00 56.93 55.82 1q38 s PHE 71 Cb -0.15 0.21 -0.01 0.00 -1.21 0.00 0.00 43.02 41.87 1q38 s PHE 71 CO 0.13 -0.70 0.33 0.95 -1.34 0.00 0.00 175.22 174.58 1q38 s THR 72 N -3.83 0.04 -0.24 -4.49 -4.23 -1.24 -2.44 115.64 99.21 1q38 s THR 72 Ca 0.05 -1.45 -0.12 0.00 -1.18 0.00 0.00 61.69 58.99 1q38 s THR 72 Cb 0.02 -2.01 -0.16 0.00 1.34 0.00 0.00 72.50 71.69 1q38 s THR 72 CO -0.10 -0.17 -0.13 1.07 -0.54 0.00 0.00 174.62 174.75 1q38 n THR 73 N -0.27 1.55 -0.56 3.99 5.66 -1.26 -4.78 114.28 118.60 1q38 n THR 73 Ca -0.05 -0.37 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 1q38 n THR 73 Cb 0.63 -1.81 0.00 0.00 -1.55 0.00 0.00 70.33 67.60 1q38 n THR 73 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1q38 n THR 74 N -4.02 0.00 -2.54 1.09 5.66 -1.26 -5.00 114.28 108.20 1q38 n THR 74 Ca -0.46 -0.10 -0.25 0.00 -3.05 0.00 0.00 64.05 60.19 1q38 n THR 74 Cb 0.88 1.56 0.03 0.00 -1.55 0.00 0.00 70.33 71.25 1q38 n THR 74 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1q38 s SER 75 N -0.06 5.50 -0.62 1.09 0.01 -1.26 -4.77 113.70 113.58 1q38 s SER 75 Ca 0.00 0.48 -0.21 0.00 1.31 0.00 0.00 55.95 57.53 1q38 s SER 75 Cb 0.00 -1.47 0.08 0.00 0.21 0.00 0.00 66.02 64.84 1q38 s SER 75 CO 0.00 -1.06 0.84 0.42 0.41 0.00 0.00 173.24 173.85 1q38 s THR 76 N -2.89 4.56 -0.30 1.44 -4.23 -1.26 -4.78 115.64 108.18 1q38 s THR 76 Ca 0.54 -0.63 -0.12 0.00 -1.18 0.00 0.00 61.69 60.30 1q38 s THR 76 Cb -0.10 -4.58 0.18 0.00 1.34 0.00 0.00 72.50 69.33 1q38 s THR 76 CO 0.42 -1.28 1.04 -0.55 -0.54 0.00 0.00 174.62 173.71 1q38 s SER 77 N 3.61 -0.47 -0.30 3.99 0.15 -1.26 -5.06 113.70 114.35 1q38 s SER 77 Ca 0.17 0.17 -0.13 0.00 0.70 0.00 0.00 55.95 56.87 1q38 s SER 77 Cb -0.20 1.35 0.16 0.00 -1.71 0.00 0.00 66.02 65.62 1q38 s SER 77 CO 0.09 -0.09 0.91 0.42 1.20 0.00 0.00 173.24 175.77 1q38 s THR 78 N 2.95 -0.61 0.58 6.45 -4.23 -1.26 -3.67 115.64 115.86 1q38 s THR 78 Ca 0.12 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.43 1q38 s THR 78 Cb -0.07 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 1q38 s THR 78 CO -0.17 0.00 1.22 -2.16 -0.54 0.00 0.00 174.62 172.98 1q38 s PRO 79 N 2.62 3.03 -0.03 3.99 0.04 -1.26 -4.97 135.00 138.42 1q38 s PRO 79 Ca -0.01 1.88 0.05 0.00 0.04 0.00 0.00 61.00 62.95 1q38 s PRO 79 Cb -0.08 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 1q38 s PRO 79 CO -0.17 -1.17 0.06 0.41 0.04 0.00 0.00 177.00 176.17 1q38 n GLY 80 N 0.55 -0.24 2.51 0.56 0.00 -1.26 -4.85 105.19 102.45 1q38 n GLY 80 Ca 0.13 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.98 -0.96 -1.14 1.61 3.41 -1.26 -5.13 113.62 108.17 1q38 n SER 81 Ca -0.05 -3.36 0.09 0.00 -0.26 0.00 0.00 58.87 55.29 1q38 n SER 81 Cb 0.45 0.82 -0.05 0.00 -0.26 0.00 0.00 64.21 65.17 1q38 n SER 81 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1q38 n ARG 82 N 0.28 -2.77 -1.65 4.33 5.12 -1.26 -4.92 116.66 115.79 1q38 n ARG 82 Ca 0.13 2.22 -0.31 0.00 -1.93 0.00 0.00 57.85 57.97 1q38 n ARG 82 Cb 0.69 -3.02 0.06 0.00 -1.16 0.00 0.00 32.46 29.03 1q38 n ARG 82 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1q38 s SER 83 N -5.92 5.26 -0.34 0.55 0.15 -1.26 -4.94 113.70 107.20 1q38 s SER 83 Ca 0.00 1.43 -0.28 0.00 0.70 0.00 0.00 55.95 57.80 1q38 s SER 83 Cb 0.00 -2.29 -0.03 0.00 -1.71 0.00 0.00 66.02 62.00 1q38 s SER 83 CO 0.00 -1.50 1.89 -2.28 1.20 0.00 0.00 173.24 172.55 1q38 s HIS 84 N -3.14 1.67 -0.97 3.44 2.46 -1.26 -4.91 115.29 112.59 1q38 s HIS 84 Ca 0.58 0.66 -0.24 0.00 0.47 0.00 0.00 55.06 56.54 1q38 s HIS 84 Cb -0.13 -4.07 0.03 0.00 -0.13 0.00 0.00 32.58 28.27 1q38 s HIS 84 CO 0.54 -3.06 1.56 -1.01 -2.47 0.00 0.00 174.74 170.31 1q38 s HIS 85 N 7.47 2.33 0.00 3.88 0.09 -1.26 -4.87 115.29 122.93 1q38 s HIS 85 Ca 0.83 -0.43 0.00 0.00 -0.00 0.00 0.00 55.06 55.46 1q38 s HIS 85 Cb -0.23 -4.53 0.00 0.00 -0.00 0.00 0.00 32.58 27.82 1q38 s HIS 85 CO 0.33 -1.91 0.48 1.58 -0.00 0.00 0.00 174.74 175.22 1q38 n HIS 86 N 10.17 0.00 0.00 1.40 -0.00 -1.26 -4.96 115.22 120.57 1q38 n HIS 86 Ca 0.33 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.51 1q38 n HIS 86 Cb 0.50 -0.18 0.00 0.00 -0.12 0.00 0.00 29.99 30.19 1q38 n HIS 86 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1q38 n HIS 87 N -1.03 0.00 -3.93 1.57 -0.00 -1.26 -5.07 115.22 105.50 1q38 n HIS 87 Ca 0.00 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.85 1q38 n HIS 87 Cb 0.00 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.73 1q38 n HIS 87 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1q38 s HIS 88 N -0.75 3.68 -2.94 1.57 5.65 -1.26 -5.33 115.29 115.92 1q38 s HIS 88 Ca 0.00 -2.80 0.25 0.00 0.25 0.00 0.00 55.06 52.76 1q38 s HIS 88 Cb 0.00 -3.04 0.30 0.00 -1.18 0.00 0.00 32.58 28.66 1q38 s HIS 88 CO 0.00 -0.95 1.32 0.72 -0.65 0.00 0.00 174.74 175.18