#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 1.62 -0.01 0.03 0.63 -1.26 -4.74 116.66 112.92 1q38 n ARG 2 Ca 0.00 -3.06 -0.06 0.00 -0.92 0.00 0.00 57.85 53.82 1q38 n ARG 2 Cb 0.00 -1.63 -0.02 0.00 0.45 0.00 0.00 32.46 31.26 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 -1.18 -0.15 3.77 5.14 0.00 -1.26 -5.03 105.19 106.48 1q38 n GLY 3 Ca 0.20 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -5.83 6.40 0.03 1.61 0.15 -1.26 -4.96 113.70 109.83 1q38 s SER 4 Ca -0.10 2.97 -0.30 0.00 0.70 0.00 0.00 55.95 59.23 1q38 s SER 4 Cb 0.03 -2.65 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1q38 s SER 4 CO 0.13 -0.85 0.98 0.54 1.20 0.00 0.00 173.24 175.24 1q38 s ASN 5 N 0.05 7.39 -0.48 5.45 4.22 -1.26 -4.96 114.94 125.34 1q38 s ASN 5 Ca 0.56 1.70 0.06 0.00 -2.14 0.00 0.00 52.86 53.04 1q38 s ASN 5 Cb -0.46 -2.57 0.25 0.00 1.28 0.00 0.00 41.25 39.75 1q38 s ASN 5 CO 0.57 -0.23 0.91 0.00 -2.04 0.00 0.00 177.10 176.31 1q38 n ALA 6 N 3.67 -1.20 1.81 3.54 0.00 -1.26 -4.98 120.51 122.09 1q38 n ALA 6 Ca 0.05 -1.48 0.05 0.00 0.00 0.00 0.00 53.44 52.06 1q38 n ALA 6 Cb 0.50 -1.30 0.28 0.00 0.00 0.00 0.00 19.45 18.94 1q38 n ALA 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1q38 n PRO 7 N 1.45 0.91 -1.34 0.00 -0.04 -1.26 -4.99 135.00 129.72 1q38 n PRO 7 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1q38 n PRO 7 Cb 0.64 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 1q38 n PRO 7 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1q38 n GLN 8 N -0.67 -3.85 0.00 0.54 1.13 -1.26 -4.61 117.38 108.66 1q38 n GLN 8 Ca 0.07 2.86 0.03 0.00 -1.94 0.00 0.00 57.00 58.02 1q38 n GLN 8 Cb 0.03 -3.21 0.18 0.00 0.11 0.00 0.00 30.24 27.36 1q38 n GLN 8 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1q38 n PRO 9 N -0.75 0.76 0.00 -1.09 -0.04 -1.26 -4.43 135.00 128.19 1q38 n PRO 9 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1q38 n PRO 9 Cb 0.00 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 -0.63 0.00 -3.66 3.54 7.64 -1.26 -5.18 113.62 114.08 1q38 n SER 10 Ca 0.05 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.85 1q38 n SER 10 Cb 0.02 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.07 -0.29 0.45 1.43 -3.43 -1.26 -5.16 115.29 106.95 1q38 s HIS 11 Ca 0.00 -0.01 -0.22 0.00 -0.80 0.00 0.00 55.06 54.03 1q38 s HIS 11 Cb 0.00 0.62 -0.08 0.00 -1.43 0.00 0.00 32.58 31.69 1q38 s HIS 11 CO 0.00 -0.91 1.09 -1.50 -2.00 0.00 0.00 174.74 171.42 1q38 s ILE 12 N -3.57 3.50 0.22 -5.38 1.10 -1.26 -4.90 121.20 110.91 1q38 s ILE 12 Ca 0.08 1.07 -0.08 0.00 -0.51 0.00 0.00 60.65 61.20 1q38 s ILE 12 Cb -0.03 -3.51 0.17 0.00 0.15 0.00 0.00 42.46 39.25 1q38 s ILE 12 CO -0.02 -0.07 1.72 0.28 -2.11 0.00 0.00 174.94 174.73 1q38 h SER 13 N 2.01 0.11 -4.46 4.50 0.02 -1.94 -2.87 113.55 110.93 1q38 h SER 13 Ca -0.49 0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 60.51 1q38 h SER 13 Cb 1.23 0.12 -0.20 0.00 0.14 0.00 0.00 62.40 63.69 1q38 h SER 13 CO 0.60 0.06 0.10 -1.59 -1.14 0.00 0.00 176.83 174.87 1q38 s LYS 14 N -6.08 0.89 -0.01 3.45 -2.85 -0.96 -3.86 119.74 110.32 1q38 s LYS 14 Ca -0.13 0.60 0.04 0.00 -1.00 0.00 0.00 55.97 55.48 1q38 s LYS 14 Cb 0.18 0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 36.35 1q38 s LYS 14 CO 0.75 -0.20 -0.11 0.71 0.10 0.00 0.00 175.35 176.60 1q38 s TYR 15 N -0.37 2.77 -0.07 1.78 2.02 -0.62 -0.91 117.35 121.95 1q38 s TYR 15 Ca -0.05 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.56 1q38 s TYR 15 Cb -0.03 -1.59 -0.02 0.00 -0.40 0.00 0.00 41.96 39.92 1q38 s TYR 15 CO 0.05 0.29 -0.14 0.42 -1.57 0.00 0.00 175.55 174.61 1q38 s ILE 16 N -0.90 3.10 -0.21 2.71 -1.09 0.59 -0.60 121.20 124.80 1q38 s ILE 16 Ca 0.15 -0.70 0.01 0.00 -2.23 0.00 0.00 60.65 57.89 1q38 s ILE 16 Cb -0.11 -2.23 0.04 0.00 -1.58 0.00 0.00 42.46 38.58 1q38 s ILE 16 CO 0.05 0.58 -0.13 -0.22 -1.23 0.00 0.00 174.94 173.98 1q38 s LEU 17 N -0.53 2.55 -0.08 2.97 0.20 -0.73 -1.11 118.68 121.95 1q38 s LEU 17 Ca 0.07 -0.96 0.03 0.00 0.69 0.00 0.00 54.13 53.97 1q38 s LEU 17 Cb -0.12 -1.38 0.01 0.00 -0.43 0.00 0.00 46.19 44.27 1q38 s LEU 17 CO 0.02 -0.12 -0.18 -0.13 -0.29 0.00 0.00 176.35 175.65 1q38 s ARG 18 N 1.29 2.38 0.12 1.98 0.52 -1.00 -1.48 118.95 122.76 1q38 s ARG 18 Ca -0.02 -0.65 -0.23 0.00 -0.52 0.00 0.00 55.73 54.32 1q38 s ARG 18 Cb -0.16 -1.85 0.06 0.00 0.52 0.00 0.00 34.95 33.51 1q38 s ARG 18 CO -0.09 0.10 0.57 1.67 0.02 0.00 0.00 175.30 177.57 1q38 s TRP 19 N 0.50 -0.48 0.19 -0.53 -2.14 -1.00 -0.32 118.94 115.15 1q38 s TRP 19 Ca -0.17 0.35 -0.22 0.00 2.66 0.00 0.00 56.10 58.72 1q38 s TRP 19 Cb -0.17 0.47 0.06 0.00 -3.10 0.00 0.00 33.47 30.73 1q38 s TRP 19 CO 0.06 -0.78 0.62 -0.98 -2.66 0.00 0.00 176.95 173.21 1q38 s ARG 20 N -3.36 1.39 -0.25 3.25 1.70 -0.76 -1.62 118.95 119.29 1q38 s ARG 20 Ca -0.01 -0.60 -0.29 0.00 -0.47 0.00 0.00 55.73 54.37 1q38 s ARG 20 Cb -0.00 0.59 -0.06 0.00 -0.57 0.00 0.00 34.95 34.91 1q38 s ARG 20 CO -0.09 -0.61 2.23 -2.30 -1.08 0.00 0.00 175.30 173.45 1q38 n PRO 21 N -0.39 1.81 0.28 3.89 -0.02 -1.26 -2.02 135.00 137.29 1q38 n PRO 21 Ca -0.14 0.48 0.16 0.00 -2.02 0.00 0.00 63.50 61.98 1q38 n PRO 21 Cb 0.64 -3.15 0.79 0.00 -0.02 0.00 0.00 33.50 31.75 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 14.97 0.00 0.00 -0.52 3.64 -1.24 -1.48 116.57 131.95 1q38 h LYS 22 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1q38 h LYS 22 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1q38 h LYS 22 CO 0.98 0.08 -0.63 -0.97 -2.27 0.00 0.00 179.45 176.63 1q38 h ASN 23 N 0.00 0.00 -0.67 4.20 -1.24 -1.88 -3.48 115.58 112.52 1q38 h ASN 23 Ca -0.00 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.94 1q38 h ASN 23 Cb 0.35 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.40 1q38 h ASN 23 CO 0.01 0.04 0.00 -1.20 -1.29 0.00 0.00 177.43 174.99 1q38 n SER 24 N -2.54 1.33 -3.64 1.15 7.64 -0.55 -5.07 113.62 111.94 1q38 n SER 24 Ca 0.02 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.81 1q38 n SER 24 Cb 0.50 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.63 1q38 n SER 24 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1q38 s VAL 25 N 0.76 0.00 0.11 0.44 0.11 -1.26 -4.75 120.40 115.81 1q38 s VAL 25 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1q38 s VAL 25 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1q38 s VAL 25 CO 0.00 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 1q38 n GLY 26 N 2.45 -1.52 3.50 6.54 0.00 -1.26 -5.09 105.19 109.81 1q38 n GLY 26 Ca -0.13 0.57 -0.10 0.00 0.00 0.00 0.00 46.02 46.35 1q38 n GLY 26 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1q38 s ARG 27 N -1.99 0.88 0.62 1.61 1.70 -1.26 -5.18 118.95 115.33 1q38 s ARG 27 Ca 0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 55.73 55.07 1q38 s ARG 27 Cb 0.00 0.41 0.07 0.00 -0.57 0.00 0.00 34.95 34.86 1q38 s ARG 27 CO 0.00 -0.36 0.87 -1.58 -1.08 0.00 0.00 175.30 173.15 1q38 s TRP 28 N -2.67 2.41 -0.06 5.89 0.52 -1.26 -4.67 118.94 119.11 1q38 s TRP 28 Ca 0.01 -0.08 0.01 0.00 0.02 0.00 0.00 56.10 56.06 1q38 s TRP 28 Cb -0.01 -2.86 0.02 0.00 -1.15 0.00 0.00 33.47 29.48 1q38 s TRP 28 CO -0.06 -1.20 -0.07 0.15 0.02 0.00 0.00 176.95 175.80 1q38 s LYS 29 N -4.92 1.11 -0.10 4.98 1.02 -0.64 -4.93 119.74 116.26 1q38 s LYS 29 Ca 0.61 -0.19 0.04 0.00 0.02 0.00 0.00 55.97 56.45 1q38 s LYS 29 Cb -0.09 -1.07 -0.00 0.00 -0.52 0.00 0.00 37.83 36.16 1q38 s LYS 29 CO 0.41 -0.08 -0.24 -1.21 -0.92 0.00 0.00 175.35 173.31 1q38 s GLU 30 N 0.99 3.02 -0.16 1.68 2.02 -1.24 -2.38 118.70 122.63 1q38 s GLU 30 Ca -0.10 -0.88 -0.04 0.00 0.02 0.00 0.00 54.97 53.98 1q38 s GLU 30 Cb -0.14 -2.30 0.05 0.00 0.10 0.00 0.00 34.13 31.84 1q38 s GLU 30 CO 0.00 0.20 0.06 0.00 0.02 0.00 0.00 175.26 175.54 1q38 s ALA 31 N 0.30 0.59 -0.13 5.21 0.00 -0.55 -4.95 121.76 122.24 1q38 s ALA 31 Ca -0.18 -0.35 -0.16 0.00 0.00 0.00 0.00 51.96 51.27 1q38 s ALA 31 Cb -0.18 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1q38 s ALA 31 CO 0.09 -1.05 0.39 0.99 0.00 0.00 0.00 175.76 176.17 1q38 s THR 32 N 2.05 5.23 -0.21 0.00 2.01 -1.26 -1.78 115.64 121.68 1q38 s THR 32 Ca 0.02 0.76 -0.03 0.00 0.31 0.00 0.00 61.69 62.74 1q38 s THR 32 Cb -0.16 -3.72 0.07 0.00 0.01 0.00 0.00 72.50 68.70 1q38 s THR 32 CO -0.08 0.37 0.07 -0.63 -0.69 0.00 0.00 174.62 173.67 1q38 s ILE 33 N 0.42 0.29 -0.93 1.82 1.09 0.23 -4.93 121.20 119.18 1q38 s ILE 33 Ca 0.22 -0.55 -0.16 0.00 -1.10 0.00 0.00 60.65 59.06 1q38 s ILE 33 Cb -0.14 -0.95 -0.27 0.00 -1.06 0.00 0.00 42.46 40.04 1q38 s ILE 33 CO 0.08 -0.35 2.27 -2.65 -0.10 0.00 0.00 174.94 174.19 1q38 n PRO 34 N 5.13 0.18 -4.41 2.79 -0.02 -1.26 -1.59 135.00 135.81 1q38 n PRO 34 Ca -0.07 -0.23 -0.39 0.00 -2.02 0.00 0.00 63.50 60.79 1q38 n PRO 34 Cb 0.46 -1.83 -0.08 0.00 -0.02 0.00 0.00 33.50 32.03 1q38 n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q38 n GLY 35 N 5.94 -0.32 3.72 -1.23 0.00 -1.08 0.23 105.19 112.45 1q38 n GLY 35 Ca 0.61 0.09 -0.23 0.00 0.00 0.00 0.00 46.02 46.50 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 -4.08 -2.03 0.22 1.61 -0.00 -1.10 -4.81 115.22 105.03 1q38 n HIS 36 Ca 0.01 0.86 0.10 0.00 0.46 0.00 0.00 57.72 59.15 1q38 n HIS 36 Cb 0.50 -4.38 0.47 0.00 -0.12 0.00 0.00 29.99 26.45 1q38 n HIS 36 CO 0.00 0.00 0.00 1.37 0.46 0.00 0.00 176.34 178.17 1q38 h LEU 37 N -1.94 0.00 -8.88 0.27 -0.00 -0.49 -3.45 115.31 100.81 1q38 h LEU 37 Ca -0.60 0.00 -0.35 0.00 -0.00 0.00 0.00 57.88 56.92 1q38 h LEU 37 Cb 1.36 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.88 1q38 h LEU 37 CO 0.58 0.23 -0.62 0.54 -0.00 0.00 0.00 178.44 179.17 1q38 s ASN 38 N -6.22 1.33 -0.57 0.17 4.22 -1.26 -5.10 114.94 107.50 1q38 s ASN 38 Ca 0.00 -1.34 -0.28 0.00 -2.14 0.00 0.00 52.86 49.10 1q38 s ASN 38 Cb 0.11 0.13 0.03 0.00 1.28 0.00 0.00 41.25 42.79 1q38 s ASN 38 CO 0.64 -0.68 1.26 -0.55 -2.04 0.00 0.00 177.10 175.72 1q38 s SER 39 N -3.31 6.36 -0.09 3.54 0.15 -1.26 -5.00 113.70 114.10 1q38 s SER 39 Ca 0.35 0.16 0.04 0.00 0.70 0.00 0.00 55.95 57.21 1q38 s SER 39 Cb 0.08 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1q38 s SER 39 CO 0.12 -1.54 -0.22 -0.72 1.20 0.00 0.00 173.24 172.07 1q38 s TYR 40 N 5.26 2.38 -0.02 3.44 -0.85 -1.26 -5.13 117.35 121.16 1q38 s TYR 40 Ca 0.46 -0.93 -0.02 0.00 -0.52 0.00 0.00 57.07 56.05 1q38 s TYR 40 Cb -0.08 -1.60 -0.04 0.00 0.38 0.00 0.00 41.96 40.62 1q38 s TYR 40 CO 0.25 -0.37 0.13 -0.08 -1.52 0.00 0.00 175.55 173.96 1q38 s THR 41 N 0.32 5.12 0.01 -3.49 -1.32 -1.26 -5.10 115.64 109.92 1q38 s THR 41 Ca -0.16 -0.23 -0.18 0.00 -1.21 0.00 0.00 61.69 59.91 1q38 s THR 41 Cb -0.17 -3.35 -0.06 0.00 -1.51 0.00 0.00 72.50 67.41 1q38 s THR 41 CO 0.08 0.37 0.52 -0.63 -2.21 0.00 0.00 174.62 172.75 1q38 s ILE 42 N -1.23 4.92 0.06 5.08 1.01 -1.26 -5.01 121.20 124.76 1q38 s ILE 42 Ca 0.24 1.09 -0.32 0.00 0.00 0.00 0.00 60.65 61.65 1q38 s ILE 42 Cb -0.12 -3.85 -0.11 0.00 0.01 0.00 0.00 42.46 38.39 1q38 s ILE 42 CO 0.15 0.50 1.82 1.17 0.00 0.00 0.00 174.94 178.58 1q38 n LYS 43 N 2.26 2.51 -1.64 2.79 3.00 -1.26 -4.90 118.16 120.91 1q38 n LYS 43 Ca -0.10 0.91 -0.39 0.00 -0.00 0.00 0.00 58.31 58.73 1q38 n LYS 43 Cb 0.51 -2.78 0.03 0.00 0.00 0.00 0.00 35.03 32.80 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 4.18 -0.04 3.95 3.14 0.00 -1.26 -5.02 105.19 110.15 1q38 n GLY 44 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.75 3.31 -0.21 0.99 1.43 -1.26 -5.04 118.68 116.16 1q38 s LEU 45 Ca 0.70 -0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 52.90 1q38 s LEU 45 Cb -0.47 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 1q38 s LEU 45 CO 0.51 -0.90 0.37 -0.75 0.23 0.00 0.00 176.35 175.82 1q38 s LYS 46 N -4.33 4.16 -0.18 1.70 2.20 -1.26 -4.65 119.74 117.38 1q38 s LYS 46 Ca 0.51 0.15 -0.29 0.00 -0.36 0.00 0.00 55.97 55.98 1q38 s LYS 46 Cb -0.06 -3.54 -0.06 0.00 -1.51 0.00 0.00 37.83 32.67 1q38 s LYS 46 CO 0.31 -0.03 2.18 -2.30 -0.36 0.00 0.00 175.35 175.16 1q38 n PRO 47 N 4.45 2.08 0.00 4.03 -0.02 -1.26 -2.18 135.00 142.09 1q38 n PRO 47 Ca -0.09 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1q38 n PRO 47 Cb 0.51 -3.17 0.00 0.00 -0.02 0.00 0.00 33.50 30.82 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 5.59 0.93 3.32 -1.23 0.00 -1.26 -5.09 105.19 107.46 1q38 n GLY 48 Ca 0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.52 2.42 0.15 1.61 1.01 -0.93 -5.11 120.40 118.03 1q38 s VAL 49 Ca 0.00 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 1q38 s VAL 49 Cb 0.00 -1.92 -0.07 0.00 0.00 0.00 0.00 36.38 34.39 1q38 s VAL 49 CO 0.00 0.57 0.90 -0.69 0.00 0.00 0.00 175.10 175.88 1q38 s VAL 50 N -0.18 4.38 -0.35 2.92 1.01 -1.26 -4.74 120.40 122.19 1q38 s VAL 50 Ca -0.02 1.97 0.00 0.00 0.00 0.00 0.00 61.98 63.93 1q38 s VAL 50 Cb -0.14 -4.27 0.11 0.00 0.00 0.00 0.00 36.38 32.08 1q38 s VAL 50 CO 0.03 0.41 0.13 -0.31 0.00 0.00 0.00 175.10 175.37 1q38 s TYR 51 N -0.54 1.88 -0.04 5.22 2.02 -0.70 -0.72 117.35 124.47 1q38 s TYR 51 Ca 0.42 -1.99 -0.22 0.00 -0.37 0.00 0.00 57.07 54.91 1q38 s TYR 51 Cb -0.24 -1.81 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 1q38 s TYR 51 CO 0.29 -0.86 0.66 -1.83 -1.57 0.00 0.00 175.55 172.25 1q38 s GLU 52 N 1.22 4.41 0.03 -0.62 -1.05 -0.86 -1.49 118.70 120.34 1q38 s GLU 52 Ca 0.12 0.83 -0.04 0.00 -0.15 0.00 0.00 54.97 55.73 1q38 s GLU 52 Cb -0.19 -3.40 -0.01 0.00 -0.44 0.00 0.00 34.13 30.08 1q38 s GLU 52 CO -0.17 0.19 0.06 0.20 0.95 0.00 0.00 175.26 176.50 1q38 s GLY 53 N 0.38 0.21 -0.04 -3.83 0.00 0.46 -1.84 107.32 102.65 1q38 s GLY 53 Ca 0.35 -0.59 0.04 0.00 0.00 0.00 0.00 44.72 44.51 1q38 s GLY 53 CO 0.18 -0.71 -0.16 -0.86 0.00 0.00 0.00 173.10 171.54 1q38 s GLN 54 N -2.41 1.72 -0.44 2.90 -2.07 0.56 -0.49 119.66 119.42 1q38 s GLN 54 Ca -0.07 -0.57 -0.16 0.00 -1.82 0.00 0.00 55.36 52.75 1q38 s GLN 54 Cb -0.02 -1.49 0.05 0.00 -1.09 0.00 0.00 33.01 30.45 1q38 s GLN 54 CO -0.04 0.21 0.36 -1.17 -1.32 0.00 0.00 175.29 173.34 1q38 s LEU 55 N 0.11 5.32 -0.33 2.60 2.96 0.13 -2.36 118.68 127.12 1q38 s LEU 55 Ca -0.05 -1.08 -0.11 0.00 -0.22 0.00 0.00 54.13 52.67 1q38 s LEU 55 Cb -0.12 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.37 1q38 s LEU 55 CO 0.02 -0.56 0.19 -0.63 -1.32 0.00 0.00 176.35 174.05 1q38 s ILE 56 N 1.73 4.90 -0.38 6.68 1.09 -0.27 -2.41 121.20 132.54 1q38 s ILE 56 Ca 0.05 -0.34 -0.28 0.00 -1.10 0.00 0.00 60.65 58.98 1q38 s ILE 56 Cb -0.21 -3.51 0.02 0.00 -1.06 0.00 0.00 42.46 37.69 1q38 s ILE 56 CO 0.09 0.02 1.04 -0.55 -0.10 0.00 0.00 174.94 175.45 1q38 s SER 57 N 1.66 6.75 -0.20 3.58 0.15 0.53 -0.30 113.70 125.88 1q38 s SER 57 Ca 0.05 0.71 -0.07 0.00 0.70 0.00 0.00 55.95 57.34 1q38 s SER 57 Cb -0.17 -2.52 -0.03 0.00 -1.71 0.00 0.00 66.02 61.59 1q38 s SER 57 CO 0.08 -0.99 0.05 -0.63 1.20 0.00 0.00 173.24 172.95 1q38 s ILE 58 N 3.83 4.44 0.28 6.45 1.01 -0.09 -2.56 121.20 134.56 1q38 s ILE 58 Ca 0.44 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.96 1q38 s ILE 58 Cb -0.11 -3.02 0.02 0.00 0.01 0.00 0.00 42.46 39.37 1q38 s ILE 58 CO 0.21 0.42 0.16 0.00 0.00 0.00 0.00 174.94 175.73 1q38 n GLN 59 N 4.03 1.15 0.00 2.79 6.02 -1.26 -2.26 117.38 127.85 1q38 n GLN 59 Ca -0.17 -1.81 0.01 0.00 -0.01 0.00 0.00 57.00 55.03 1q38 n GLN 59 Cb 0.52 0.27 0.04 0.00 1.02 0.00 0.00 30.24 32.10 1q38 n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1q38 n GLN 60 N -1.03 0.02 0.00 -1.09 10.64 -1.26 -0.44 117.38 124.22 1q38 n GLN 60 Ca -0.04 0.35 0.11 0.00 -1.83 0.00 0.00 57.00 55.60 1q38 n GLN 60 Cb 0.32 -1.50 0.06 0.00 -0.86 0.00 0.00 30.24 28.27 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 -1.37 0.00 -1.82 2.61 4.01 -1.26 -5.05 117.16 114.27 1q38 n TYR 61 Ca 0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.74 1q38 n TYR 61 Cb 0.02 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.01 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 1.41 -4.31 2.00 2.72 0.00 0.42 -4.96 105.19 102.47 1q38 n GLY 62 Ca 0.09 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.92 -4.82 0.00 1.61 8.25 -1.26 -4.89 115.22 115.04 1q38 n HIS 63 Ca -0.08 2.90 0.00 0.00 -0.26 0.00 0.00 57.72 60.28 1q38 n HIS 63 Cb 0.12 -3.65 0.00 0.00 1.12 0.00 0.00 29.99 27.58 1q38 n HIS 63 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q38 n GLN 64 N 1.81 0.73 -3.65 -0.41 10.64 -1.17 -4.87 117.38 120.45 1q38 n GLN 64 Ca 0.00 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.03 1q38 n GLN 64 Cb 0.00 -0.06 -0.14 0.00 -0.86 0.00 0.00 30.24 29.18 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 -0.03 0.12 -0.02 2.61 2.12 -1.06 -4.95 118.70 117.48 1q38 s GLU 65 Ca 0.00 0.68 0.01 0.00 0.36 0.00 0.00 54.97 56.01 1q38 s GLU 65 Cb 0.00 -0.15 0.02 0.00 0.26 0.00 0.00 34.13 34.26 1q38 s GLU 65 CO 0.00 -0.31 -0.01 0.54 -0.54 0.00 0.00 175.26 174.94 1q38 s VAL 66 N 2.39 0.24 -0.03 3.70 0.11 -1.26 0.20 120.40 125.74 1q38 s VAL 66 Ca 0.02 -0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1q38 s VAL 66 Cb -0.12 -0.29 0.03 0.00 -1.53 0.00 0.00 36.38 34.47 1q38 s VAL 66 CO -0.08 0.13 0.00 -0.89 -3.33 0.00 0.00 175.10 170.93 1q38 s THR 67 N 0.68 0.20 0.09 5.04 2.01 -1.01 -4.99 115.64 117.66 1q38 s THR 67 Ca -0.07 0.09 -0.05 0.00 0.31 0.00 0.00 61.69 61.97 1q38 s THR 67 Cb -0.10 -0.30 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 1q38 s THR 67 CO -0.01 0.16 0.34 -0.13 -0.69 0.00 0.00 174.62 174.28 1q38 s ARG 68 N 1.13 3.61 0.12 4.92 0.52 -1.26 -0.69 118.95 127.29 1q38 s ARG 68 Ca -0.08 -0.09 -0.20 0.00 -0.52 0.00 0.00 55.73 54.84 1q38 s ARG 68 Cb -0.13 -2.95 0.05 0.00 0.52 0.00 0.00 34.95 32.44 1q38 s ARG 68 CO -0.02 0.54 0.50 -0.59 0.02 0.00 0.00 175.30 175.75 1q38 s PHE 69 N -1.52 -0.37 -0.15 -0.53 -0.12 0.36 -4.96 117.98 110.68 1q38 s PHE 69 Ca 0.36 0.17 -0.01 0.00 -0.05 0.00 0.00 56.93 57.40 1q38 s PHE 69 Cb -0.13 0.38 -0.01 0.00 -0.63 0.00 0.00 43.02 42.63 1q38 s PHE 69 CO 0.22 -0.74 -0.11 0.16 -0.05 0.00 0.00 175.22 174.70 1q38 s ASP 70 N -2.60 4.08 0.11 1.98 -4.77 -1.26 -0.41 116.67 113.80 1q38 s ASP 70 Ca 0.00 -0.34 -0.10 0.00 -3.30 0.00 0.00 52.55 48.81 1q38 s ASP 70 Cb 0.00 -1.64 0.00 0.00 -1.09 0.00 0.00 42.92 40.19 1q38 s ASP 70 CO -0.10 0.12 0.25 0.72 0.70 0.00 0.00 175.17 176.86 1q38 s PHE 71 N 0.65 0.15 0.18 2.11 -0.71 -0.56 -4.82 117.98 114.98 1q38 s PHE 71 Ca -0.06 -0.55 -0.08 0.00 -1.04 0.00 0.00 56.93 55.20 1q38 s PHE 71 Cb -0.15 -0.00 -0.01 0.00 -1.21 0.00 0.00 43.02 41.64 1q38 s PHE 71 CO 0.03 -0.62 0.30 0.95 -1.34 0.00 0.00 175.22 174.54 1q38 s THR 72 N -3.88 0.04 0.15 -4.49 -4.23 -1.26 -1.73 115.64 100.25 1q38 s THR 72 Ca 0.07 -1.49 -0.24 0.00 -1.18 0.00 0.00 61.69 58.86 1q38 s THR 72 Cb 0.04 -2.01 0.01 0.00 1.34 0.00 0.00 72.50 71.88 1q38 s THR 72 CO -0.08 -0.20 1.62 0.00 -0.54 0.00 0.00 174.62 175.41 1q38 h THR 73 N 2.50 0.32 -0.34 3.99 1.03 -1.85 -3.41 112.91 115.15 1q38 h THR 73 Ca -0.31 0.00 -0.11 0.00 -0.01 0.00 0.00 66.41 65.98 1q38 h THR 73 Cb 1.23 0.32 -0.15 0.00 -1.07 0.00 0.00 68.15 68.49 1q38 h THR 73 CO 0.47 0.00 -0.31 1.07 -0.01 0.00 0.00 175.52 176.73 1q38 n THR 74 N -5.40 0.00 0.00 0.00 5.66 -1.26 -4.96 114.28 108.32 1q38 n THR 74 Ca -0.01 -0.86 0.00 0.00 -3.05 0.00 0.00 64.05 60.12 1q38 n THR 74 Cb 0.31 1.05 0.00 0.00 -1.55 0.00 0.00 70.33 70.14 1q38 n THR 74 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1q38 n SER 75 N 2.24 0.00 -0.74 1.09 2.88 -1.26 -4.82 113.62 113.00 1q38 n SER 75 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1q38 n SER 75 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1q38 n SER 75 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1q38 n THR 76 N -0.10 0.00 -3.99 2.46 -1.04 -1.26 -4.94 114.28 105.40 1q38 n THR 76 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1q38 n THR 76 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 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 -4.00 0.31 -0.09 8.00 0.15 -1.26 -4.86 113.70 111.94 1q38 s SER 77 Ca 0.00 -0.73 -0.07 0.00 0.70 0.00 0.00 55.95 55.85 1q38 s SER 77 Cb 0.00 0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.47 1q38 s SER 77 CO 0.00 -0.54 -0.16 0.41 1.20 0.00 0.00 173.24 174.15 1q38 n THR 78 N 0.54 0.93 -2.37 6.45 -1.04 -1.26 -5.06 114.28 112.47 1q38 n THR 78 Ca -0.17 -0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.56 1q38 n THR 78 Cb 0.59 -1.76 0.02 0.00 -1.82 0.00 0.00 70.33 67.36 1q38 n THR 78 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1q38 s PRO 79 N -2.29 3.11 0.00 -2.82 0.04 -1.26 -5.00 135.00 126.78 1q38 s PRO 79 Ca -0.16 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.02 1q38 s PRO 79 Cb 0.05 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1q38 s PRO 79 CO 0.21 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.06 1q38 n GLY 80 N -2.56 -0.73 0.00 0.56 0.00 -1.26 -4.91 105.19 96.30 1q38 n GLY 80 Ca 0.04 -1.22 0.08 0.00 0.00 0.00 0.00 46.02 44.92 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 1.23 0.00 -4.57 1.61 3.41 -1.26 -4.71 113.62 109.33 1q38 n SER 81 Ca 0.00 -0.03 -0.38 0.00 -0.26 0.00 0.00 58.87 58.19 1q38 n SER 81 Cb 0.00 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 1q38 n SER 81 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1q38 s ARG 82 N -2.47 2.43 0.00 4.33 0.52 -1.26 -4.95 118.95 117.55 1q38 s ARG 82 Ca 0.16 1.58 0.00 0.00 -0.52 0.00 0.00 55.73 56.95 1q38 s ARG 82 Cb 0.11 -4.51 0.00 0.00 0.52 0.00 0.00 34.95 31.06 1q38 s ARG 82 CO 0.23 -2.90 0.00 -1.13 0.02 0.00 0.00 175.30 171.52 1q38 n SER 83 N 14.53 -0.06 -4.31 0.23 3.41 -1.26 -4.94 113.62 121.22 1q38 n SER 83 Ca 0.34 -0.85 -0.44 0.00 -0.26 0.00 0.00 58.87 57.66 1q38 n SER 83 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1q38 n SER 83 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1q38 n HIS 84 N -1.79 4.43 -2.59 7.33 -0.00 -1.26 -5.00 115.22 116.34 1q38 n HIS 84 Ca 0.00 -3.19 -0.37 0.00 0.46 0.00 0.00 57.72 54.62 1q38 n HIS 84 Cb 0.00 -2.14 -0.05 0.00 -0.12 0.00 0.00 29.99 27.68 1q38 n HIS 84 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1q38 s HIS 85 N 1.35 3.36 0.27 1.57 4.02 -1.26 -5.04 115.29 119.55 1q38 s HIS 85 Ca 0.42 1.67 -0.21 0.00 1.02 0.00 0.00 55.06 57.96 1q38 s HIS 85 Cb 0.01 -3.09 0.05 0.00 -1.02 0.00 0.00 32.58 28.52 1q38 s HIS 85 CO 0.01 -0.47 0.83 -1.01 1.02 0.00 0.00 174.74 175.12 1q38 s HIS 86 N -1.64 -0.07 -2.20 1.40 3.76 -1.26 -5.03 115.29 110.24 1q38 s HIS 86 Ca 0.56 -0.40 0.20 0.00 -0.15 0.00 0.00 55.06 55.26 1q38 s HIS 86 Cb -0.22 0.73 0.29 0.00 1.11 0.00 0.00 32.58 34.49 1q38 s HIS 86 CO 0.27 -1.19 1.24 0.72 -0.85 0.00 0.00 174.74 174.93 1q38 n HIS 87 N -0.51 0.29 -0.95 1.40 8.25 -1.26 -4.99 115.22 117.45 1q38 n HIS 87 Ca -0.05 -0.17 -0.30 0.00 -0.26 0.00 0.00 57.72 56.94 1q38 n HIS 87 Cb 0.60 -0.00 0.24 0.00 1.12 0.00 0.00 29.99 31.94 1q38 n HIS 87 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1q38 s HIS 88 N -1.43 0.72 0.00 4.41 3.76 -1.26 -5.39 115.29 116.10 1q38 s HIS 88 Ca 0.30 0.66 0.00 0.00 -0.15 0.00 0.00 55.06 55.86 1q38 s HIS 88 Cb 0.18 -3.30 0.00 0.00 1.11 0.00 0.00 32.58 30.57 1q38 s HIS 88 CO 0.26 -3.86 0.00 1.58 -0.85 0.00 0.00 174.74 171.87