#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 2.50 0.36 0.03 1.70 -1.26 -5.10 118.95 117.17 1q38 s ARG 2 Ca 0.00 -0.26 0.01 0.00 -0.47 0.00 0.00 55.73 55.01 1q38 s ARG 2 Cb 0.00 -2.26 0.07 0.00 -0.57 0.00 0.00 34.95 32.19 1q38 s ARG 2 CO 0.00 -0.97 0.49 0.41 -1.08 0.00 0.00 175.30 174.16 1q38 n GLY 3 N -2.71 0.95 3.05 3.88 0.00 -1.26 -4.81 105.19 104.30 1q38 n GLY 3 Ca 0.07 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 1q38 n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1q38 n SER 4 N -2.89 -7.33 -2.52 1.61 7.64 -1.26 -5.00 113.62 103.86 1q38 n SER 4 Ca 0.08 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1q38 n SER 4 Cb 0.30 -4.51 0.00 0.00 -1.01 0.00 0.00 64.21 58.99 1q38 n SER 4 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1q38 n ASN 5 N -0.64 -0.98 -3.72 6.43 4.13 -1.26 -5.09 115.26 114.13 1q38 n ASN 5 Ca 0.04 -0.49 -0.13 0.00 1.68 0.00 0.00 54.58 55.68 1q38 n ASN 5 Cb 0.52 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.63 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 -3.00 -0.52 0.00 5.41 0.00 -1.26 -5.02 121.76 117.37 1q38 s ALA 6 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1q38 s ALA 6 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1q38 s ALA 6 CO 0.00 -0.26 0.02 -0.35 0.00 0.00 0.00 175.76 175.16 1q38 n PRO 7 N 4.41 0.00 -3.21 0.00 -0.04 -1.26 -4.99 135.00 129.92 1q38 n PRO 7 Ca -0.22 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.11 1q38 n PRO 7 Cb 0.52 -0.28 0.01 0.00 -0.04 0.00 0.00 33.50 33.71 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 -0.03 -1.78 -2.23 0.54 1.13 -1.26 -4.82 117.38 108.93 1q38 n GLN 8 Ca 0.00 1.54 -0.32 0.00 -1.94 0.00 0.00 57.00 56.28 1q38 n GLN 8 Cb 0.00 -4.51 -0.04 0.00 0.11 0.00 0.00 30.24 25.80 1q38 n GLN 8 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1q38 s PRO 9 N -3.17 2.92 0.21 -1.09 0.04 -1.26 -4.62 135.00 128.03 1q38 s PRO 9 Ca 0.14 -0.54 0.00 0.00 0.04 0.00 0.00 61.00 60.63 1q38 s PRO 9 Cb -0.03 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.39 1q38 s PRO 9 CO 0.80 -2.94 0.00 0.43 0.04 0.00 0.00 177.00 175.33 1q38 n SER 10 N 12.14 -7.52 0.00 6.66 7.64 -1.26 -5.11 113.62 126.16 1q38 n SER 10 Ca 0.37 1.06 0.00 0.00 1.01 0.00 0.00 58.87 61.31 1q38 n SER 10 Cb 0.48 -4.01 0.00 0.00 -1.01 0.00 0.00 64.21 59.68 1q38 n SER 10 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1q38 n HIS 11 N 1.10 0.00 -2.13 1.43 -0.00 -1.26 -5.15 115.22 109.21 1q38 n HIS 11 Ca 0.00 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.82 1q38 n HIS 11 Cb 0.00 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 29.88 1q38 n HIS 11 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 1q38 s ILE 12 N -0.62 2.85 0.20 3.57 2.07 -1.26 -4.92 121.20 123.09 1q38 s ILE 12 Ca 0.00 0.57 -0.12 0.00 -1.41 0.00 0.00 60.65 59.69 1q38 s ILE 12 Cb 0.00 -3.26 0.15 0.00 0.13 0.00 0.00 42.46 39.49 1q38 s ILE 12 CO 0.00 -0.07 1.68 -1.28 -1.91 0.00 0.00 174.94 173.36 1q38 h SER 13 N 1.39 -0.17 -3.42 4.50 0.87 -1.85 -3.35 113.55 111.52 1q38 h SER 13 Ca -0.50 0.12 0.19 0.00 -1.23 0.00 0.00 61.79 60.37 1q38 h SER 13 Cb 1.27 0.21 -0.26 0.00 -0.44 0.00 0.00 62.40 63.18 1q38 h SER 13 CO 0.57 -0.06 0.81 -1.59 -0.53 0.00 0.00 176.83 176.03 1q38 s LYS 14 N -6.15 0.24 -0.14 2.24 0.00 -0.99 -4.75 119.74 110.19 1q38 s LYS 14 Ca -0.13 0.07 -0.06 0.00 0.00 0.00 0.00 55.97 55.84 1q38 s LYS 14 Cb 0.17 0.11 -0.04 0.00 0.00 0.00 0.00 37.83 38.08 1q38 s LYS 14 CO 0.73 -0.07 0.09 0.71 0.00 0.00 0.00 175.35 176.81 1q38 s TYR 15 N -1.00 3.41 -0.18 1.78 2.02 -0.77 -1.90 117.35 120.71 1q38 s TYR 15 Ca 0.05 0.34 -0.01 0.00 -0.37 0.00 0.00 57.07 57.08 1q38 s TYR 15 Cb -0.01 -1.97 -0.00 0.00 -0.40 0.00 0.00 41.96 39.58 1q38 s TYR 15 CO -0.05 0.51 -0.11 0.42 -1.57 0.00 0.00 175.55 174.74 1q38 s ILE 16 N -0.53 2.90 -0.30 2.71 -1.09 -0.40 -1.32 121.20 123.17 1q38 s ILE 16 Ca 0.11 -0.67 -0.07 0.00 -2.23 0.00 0.00 60.65 57.79 1q38 s ILE 16 Cb -0.12 -2.27 0.01 0.00 -1.58 0.00 0.00 42.46 38.50 1q38 s ILE 16 CO 0.02 0.48 0.08 -0.22 -1.23 0.00 0.00 174.94 174.08 1q38 s LEU 17 N 1.10 3.86 -0.13 2.97 0.20 -0.51 -0.95 118.68 125.23 1q38 s LEU 17 Ca 0.00 -0.71 0.02 0.00 0.69 0.00 0.00 54.13 54.13 1q38 s LEU 17 Cb -0.14 -1.88 -0.01 0.00 -0.43 0.00 0.00 46.19 43.73 1q38 s LEU 17 CO -0.03 -0.19 -0.18 -0.13 -0.29 0.00 0.00 176.35 175.53 1q38 s ARG 18 N 1.50 3.21 0.03 1.98 0.52 -0.79 -1.78 118.95 123.62 1q38 s ARG 18 Ca 0.03 -0.78 -0.15 0.00 -0.52 0.00 0.00 55.73 54.31 1q38 s ARG 18 Cb -0.17 -2.50 0.02 0.00 0.52 0.00 0.00 34.95 32.82 1q38 s ARG 18 CO 0.03 0.15 0.32 1.67 0.02 0.00 0.00 175.30 177.49 1q38 s TRP 19 N 0.47 -0.15 0.13 -0.53 -2.14 -1.08 -0.04 118.94 115.60 1q38 s TRP 19 Ca -0.12 0.10 -0.22 0.00 2.66 0.00 0.00 56.10 58.51 1q38 s TRP 19 Cb -0.17 0.11 0.06 0.00 -3.10 0.00 0.00 33.47 30.38 1q38 s TRP 19 CO 0.05 -0.48 0.56 -0.98 -2.66 0.00 0.00 176.95 173.44 1q38 s ARG 20 N -2.17 1.21 -0.12 3.25 1.70 -0.74 -0.67 118.95 121.41 1q38 s ARG 20 Ca -0.08 -0.45 -0.29 0.00 -0.47 0.00 0.00 55.73 54.44 1q38 s ARG 20 Cb -0.02 0.55 -0.07 0.00 -0.57 0.00 0.00 34.95 34.85 1q38 s ARG 20 CO -0.01 -0.51 2.13 -2.30 -1.08 0.00 0.00 175.30 173.53 1q38 n PRO 21 N -0.22 2.30 0.12 3.89 -0.02 -1.26 -1.85 135.00 137.96 1q38 n PRO 21 Ca -0.17 0.73 0.03 0.00 -2.02 0.00 0.00 63.50 62.07 1q38 n PRO 21 Cb 0.64 -3.13 0.41 0.00 -0.02 0.00 0.00 33.50 31.40 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 13.24 0.25 0.01 -0.52 3.64 -1.45 -3.20 116.57 128.54 1q38 h LYS 22 Ca -0.44 -0.05 -0.38 0.00 -1.27 0.00 0.00 60.65 58.50 1q38 h LYS 22 Cb 1.24 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.96 1q38 h LYS 22 CO 0.95 0.34 -2.44 -1.71 -2.27 0.00 0.00 179.45 174.33 1q38 n ASN 23 N -4.32 1.66 -4.95 4.20 5.15 -1.26 -5.00 115.26 110.74 1q38 n ASN 23 Ca -0.00 -0.10 -0.22 0.00 -0.60 0.00 0.00 54.58 53.66 1q38 n ASN 23 Cb 0.23 -0.20 0.04 0.00 -0.53 0.00 0.00 39.78 39.32 1q38 n ASN 23 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1q38 s SER 24 N -6.37 5.17 -0.06 1.20 0.15 -1.21 -5.11 113.70 107.47 1q38 s SER 24 Ca -0.30 0.01 0.05 0.00 0.70 0.00 0.00 55.95 56.41 1q38 s SER 24 Cb 0.08 -0.84 -0.02 0.00 -1.71 0.00 0.00 66.02 63.54 1q38 s SER 24 CO 0.65 -1.23 -0.21 0.54 1.20 0.00 0.00 173.24 174.18 1q38 s VAL 25 N -2.83 2.42 0.00 4.45 0.11 -1.26 -4.33 120.40 118.95 1q38 s VAL 25 Ca 0.58 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 58.69 1q38 s VAL 25 Cb -0.10 -1.91 0.00 0.00 -1.53 0.00 0.00 36.38 32.84 1q38 s VAL 25 CO 0.39 0.57 0.00 0.61 -3.33 0.00 0.00 175.10 173.34 1q38 n GLY 26 N 2.79 0.00 1.35 6.54 0.00 -1.26 -5.01 105.19 109.60 1q38 n GLY 26 Ca -0.17 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.86 -0.80 1.61 1.74 -1.26 -4.95 116.66 110.14 1q38 n ARG 27 Ca 0.00 2.04 -0.04 0.00 -0.77 0.00 0.00 57.85 59.09 1q38 n ARG 27 Cb 0.00 -3.43 0.02 0.00 -1.02 0.00 0.00 32.46 28.03 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 -4.14 -3.44 -3.89 -1.55 7.02 -1.26 -4.57 117.44 105.62 1q38 n TRP 28 Ca -0.02 -0.25 -0.11 0.00 -1.02 0.00 0.00 57.50 56.10 1q38 n TRP 28 Cb 0.63 -0.12 -0.12 0.00 -2.42 0.00 0.00 31.31 29.28 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 -2.91 0.26 -0.07 -0.99 -0.14 0.15 -4.89 119.74 111.15 1q38 s LYS 29 Ca 0.10 -0.22 0.05 0.00 -1.36 0.00 0.00 55.97 54.54 1q38 s LYS 29 Cb -0.01 0.11 -0.01 0.00 -1.68 0.00 0.00 37.83 36.25 1q38 s LYS 29 CO 0.07 -0.05 -0.24 -1.21 -0.76 0.00 0.00 175.35 173.16 1q38 s GLU 30 N -0.76 2.68 -0.15 1.68 2.02 -1.25 -2.62 118.70 120.31 1q38 s GLU 30 Ca -0.08 -0.88 -0.04 0.00 0.02 0.00 0.00 54.97 53.99 1q38 s GLU 30 Cb -0.05 -2.17 0.06 0.00 0.10 0.00 0.00 34.13 32.07 1q38 s GLU 30 CO 0.00 0.30 0.11 0.00 0.02 0.00 0.00 175.26 175.69 1q38 s ALA 31 N 0.04 0.24 0.03 5.21 0.00 -0.73 -4.94 121.76 121.61 1q38 s ALA 31 Ca -0.09 -0.08 -0.20 0.00 0.00 0.00 0.00 51.96 51.59 1q38 s ALA 31 Cb -0.15 -1.00 -0.06 0.00 0.00 0.00 0.00 23.12 21.91 1q38 s ALA 31 CO 0.06 -1.03 0.57 0.99 0.00 0.00 0.00 175.76 176.34 1q38 s THR 32 N 2.19 4.83 -0.24 0.00 2.01 -1.25 -1.43 115.64 121.74 1q38 s THR 32 Ca 0.03 1.21 -0.02 0.00 0.31 0.00 0.00 61.69 63.22 1q38 s THR 32 Cb -0.15 -3.90 0.08 0.00 0.01 0.00 0.00 72.50 68.53 1q38 s THR 32 CO -0.08 0.50 0.05 -0.63 -0.69 0.00 0.00 174.62 173.76 1q38 s ILE 33 N -0.70 0.74 -0.49 1.82 1.01 -0.44 -4.92 121.20 118.23 1q38 s ILE 33 Ca 0.29 -0.93 -0.26 0.00 0.00 0.00 0.00 60.65 59.75 1q38 s ILE 33 Cb -0.19 -1.34 -0.06 0.00 0.01 0.00 0.00 42.46 40.88 1q38 s ILE 33 CO 0.18 -0.38 2.36 -2.84 0.00 0.00 0.00 174.94 174.26 1q38 s PRO 34 N 1.73 2.16 2.03 2.79 0.02 -1.26 -1.84 135.00 140.64 1q38 s PRO 34 Ca 0.02 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.41 1q38 s PRO 34 Cb -0.17 -4.56 0.00 0.00 0.02 0.00 0.00 34.50 29.78 1q38 s PRO 34 CO -0.15 -3.21 0.00 0.41 -0.33 0.00 0.00 177.00 173.72 1q38 n GLY 35 N 5.97 0.47 2.67 0.52 0.00 -1.26 -3.77 105.19 109.79 1q38 n GLY 35 Ca 0.35 0.61 -0.03 0.00 0.00 0.00 0.00 46.02 46.95 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 0.00 -0.54 0.08 1.61 -0.00 -1.26 -4.90 115.22 110.20 1q38 n HIS 36 Ca 0.00 -0.62 -0.06 0.00 0.46 0.00 0.00 57.72 57.49 1q38 n HIS 36 Cb 0.00 1.07 0.09 0.00 -0.12 0.00 0.00 29.99 31.03 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 4.08 0.31 0.00 0.27 -0.00 -1.94 -3.47 115.31 114.57 1q38 h LEU 37 Ca -0.02 -0.19 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 1q38 h LEU 37 Cb 1.17 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1q38 h LEU 37 CO -0.12 0.88 0.00 -0.46 -0.00 0.00 0.00 178.44 178.74 1q38 n ASN 38 N -3.84 0.00 -4.65 0.17 2.04 -1.26 -4.70 115.26 103.02 1q38 n ASN 38 Ca -0.03 -0.57 -0.43 0.00 -0.44 0.00 0.00 54.58 53.11 1q38 n ASN 38 Cb 0.66 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.88 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 1q38 s SER 39 N 0.28 6.95 -0.34 0.53 0.01 -1.26 -5.01 113.70 114.86 1q38 s SER 39 Ca 0.00 1.36 -0.11 0.00 1.31 0.00 0.00 55.95 58.51 1q38 s SER 39 Cb 0.00 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.70 1q38 s SER 39 CO 0.00 -0.81 0.19 -0.47 0.41 0.00 0.00 173.24 172.56 1q38 s TYR 40 N 3.58 3.21 -0.06 2.43 6.14 -1.26 -5.07 117.35 126.32 1q38 s TYR 40 Ca 0.49 -0.67 0.05 0.00 0.64 0.00 0.00 57.07 57.58 1q38 s TYR 40 Cb -0.16 -2.42 -0.01 0.00 0.42 0.00 0.00 41.96 39.79 1q38 s TYR 40 CO 0.13 -0.52 -0.23 -0.08 0.64 0.00 0.00 175.55 175.50 1q38 s THR 41 N 1.61 1.88 -0.32 4.34 -1.32 -1.26 -5.11 115.64 115.46 1q38 s THR 41 Ca 0.04 -0.96 -0.14 0.00 -1.21 0.00 0.00 61.69 59.42 1q38 s THR 41 Cb -0.18 -1.60 -0.02 0.00 -1.51 0.00 0.00 72.50 69.18 1q38 s THR 41 CO 0.07 0.52 0.31 -0.63 -2.21 0.00 0.00 174.62 172.69 1q38 s ILE 42 N 0.02 5.22 -0.06 5.08 1.01 -1.26 -5.07 121.20 126.14 1q38 s ILE 42 Ca -0.07 0.08 0.05 0.00 0.00 0.00 0.00 60.65 60.71 1q38 s ILE 42 Cb -0.14 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 1q38 s ILE 42 CO 0.04 0.01 -0.23 -0.54 0.00 0.00 0.00 174.94 174.23 1q38 s LYS 43 N 1.92 2.47 0.00 2.79 1.02 -1.26 -4.78 119.74 121.90 1q38 s LYS 43 Ca 0.10 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.27 1q38 s LYS 43 Cb -0.17 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 1q38 s LYS 43 CO 0.11 0.30 0.00 0.41 -0.92 0.00 0.00 175.35 175.25 1q38 n GLY 44 N 3.13 0.78 4.00 -3.33 0.00 -1.26 -5.14 105.19 103.36 1q38 n GLY 44 Ca -0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 3.28 -0.23 0.99 1.43 -1.26 -5.06 118.68 117.82 1q38 s LEU 45 Ca 0.00 -0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 52.25 1q38 s LEU 45 Cb 0.00 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 1q38 s LEU 45 CO 0.00 -1.07 0.24 -0.54 0.23 0.00 0.00 176.35 175.20 1q38 s LYS 46 N -4.49 4.09 0.00 1.70 1.02 -1.26 -4.68 119.74 116.12 1q38 s LYS 46 Ca 0.56 -0.13 0.08 0.00 0.02 0.00 0.00 55.97 56.50 1q38 s LYS 46 Cb -0.07 -3.55 0.46 0.00 -0.52 0.00 0.00 37.83 34.15 1q38 s LYS 46 CO 0.35 0.01 0.89 -2.30 -0.92 0.00 0.00 175.35 173.38 1q38 n PRO 47 N 4.40 0.45 -0.10 -1.68 -0.02 -1.26 -2.50 135.00 134.30 1q38 n PRO 47 Ca -0.13 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.25 1q38 n PRO 47 Cb 0.52 -1.27 -0.15 0.00 -0.02 0.00 0.00 33.50 32.58 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 -0.08 -0.92 3.27 -1.23 0.00 -1.26 -4.80 105.19 100.16 1q38 n GLY 48 Ca 0.06 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.47 2.12 0.39 1.61 0.11 -1.04 -5.12 120.40 116.00 1q38 s VAL 49 Ca -0.11 -1.03 -0.23 0.00 -2.93 0.00 0.00 61.98 57.67 1q38 s VAL 49 Cb 0.06 -1.78 -0.10 0.00 -1.53 0.00 0.00 36.38 33.03 1q38 s VAL 49 CO 0.78 0.57 0.98 -0.69 -3.33 0.00 0.00 175.10 173.41 1q38 s VAL 50 N -0.06 4.09 -0.29 2.04 1.01 -1.26 -4.59 120.40 121.33 1q38 s VAL 50 Ca -0.06 1.52 0.02 0.00 0.00 0.00 0.00 61.98 63.46 1q38 s VAL 50 Cb -0.15 -3.75 0.07 0.00 0.00 0.00 0.00 36.38 32.55 1q38 s VAL 50 CO 0.05 -0.06 -0.04 -0.31 0.00 0.00 0.00 175.10 174.73 1q38 s TYR 51 N -1.83 3.37 0.01 5.22 1.51 -0.88 -1.06 117.35 123.71 1q38 s TYR 51 Ca 0.57 -2.35 -0.30 0.00 -1.01 0.00 0.00 57.07 53.98 1q38 s TYR 51 Cb -0.17 -2.21 -0.03 0.00 -0.11 0.00 0.00 41.96 39.44 1q38 s TYR 51 CO 0.21 -0.88 0.99 -1.83 -1.11 0.00 0.00 175.55 172.93 1q38 s GLU 52 N 1.10 4.56 0.09 -0.62 -1.05 -0.77 -1.85 118.70 120.16 1q38 s GLU 52 Ca -0.04 1.44 0.04 0.00 -0.15 0.00 0.00 54.97 56.26 1q38 s GLU 52 Cb -0.20 -3.45 -0.03 0.00 -0.44 0.00 0.00 34.13 30.01 1q38 s GLU 52 CO -0.05 -0.04 -0.10 0.20 0.95 0.00 0.00 175.26 176.22 1q38 s GLY 53 N 0.93 0.81 -0.03 -3.83 0.00 0.11 -1.79 107.32 103.52 1q38 s GLY 53 Ca 0.52 -1.11 0.02 0.00 0.00 0.00 0.00 44.72 44.14 1q38 s GLY 53 CO 0.28 -1.18 -0.07 1.20 0.00 0.00 0.00 173.10 173.34 1q38 s GLN 54 N -2.50 0.83 -0.45 2.90 -0.21 0.94 -0.76 119.66 120.42 1q38 s GLN 54 Ca 0.03 -0.21 -0.15 0.00 0.02 0.00 0.00 55.36 55.05 1q38 s GLN 54 Cb -0.05 -0.80 0.05 0.00 1.00 0.00 0.00 33.01 33.22 1q38 s GLN 54 CO 0.00 0.04 0.36 -1.17 -2.12 0.00 0.00 175.29 172.40 1q38 s LEU 55 N 0.43 5.42 -0.31 2.90 1.98 0.11 -1.89 118.68 127.32 1q38 s LEU 55 Ca -0.06 -1.17 -0.09 0.00 -2.89 0.00 0.00 54.13 49.92 1q38 s LEU 55 Cb -0.10 -2.17 -0.00 0.00 0.66 0.00 0.00 46.19 44.58 1q38 s LEU 55 CO 0.00 -0.57 0.13 -0.63 -1.89 0.00 0.00 176.35 173.39 1q38 s ILE 56 N 1.65 4.42 -0.25 6.68 1.09 -0.13 -1.60 121.20 133.06 1q38 s ILE 56 Ca 0.04 -0.51 -0.24 0.00 -1.10 0.00 0.00 60.65 58.85 1q38 s ILE 56 Cb -0.22 -3.26 -0.01 0.00 -1.06 0.00 0.00 42.46 37.91 1q38 s ILE 56 CO 0.08 0.07 0.79 -0.44 -0.10 0.00 0.00 174.94 175.33 1q38 s SER 57 N 1.58 6.77 -0.31 3.58 0.01 0.36 -1.28 113.70 124.41 1q38 s SER 57 Ca 0.04 0.94 -0.06 0.00 1.31 0.00 0.00 55.95 58.18 1q38 s SER 57 Cb -0.17 -2.41 0.03 0.00 0.21 0.00 0.00 66.02 63.67 1q38 s SER 57 CO 0.05 -0.50 0.08 -0.63 0.41 0.00 0.00 173.24 172.65 1q38 s ILE 58 N 2.79 3.76 0.59 1.44 1.01 -0.80 -2.03 121.20 127.96 1q38 s ILE 58 Ca 0.33 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 1q38 s ILE 58 Cb -0.15 -3.04 0.12 0.00 0.01 0.00 0.00 42.46 39.40 1q38 s ILE 58 CO 0.08 -0.05 0.80 0.00 0.00 0.00 0.00 174.94 175.78 1q38 n GLN 59 N 4.82 -0.18 0.14 2.79 1.13 -0.75 -2.35 117.38 122.98 1q38 n GLN 59 Ca -0.14 -1.91 0.12 0.00 -1.94 0.00 0.00 57.00 53.14 1q38 n GLN 59 Cb 0.46 -0.62 0.52 0.00 0.11 0.00 0.00 30.24 30.71 1q38 n GLN 59 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1q38 n GLN 60 N -2.55 0.19 -0.03 -1.09 6.02 -1.26 -1.38 117.38 117.28 1q38 n GLN 60 Ca 0.12 0.47 0.11 0.00 -0.01 0.00 0.00 57.00 57.69 1q38 n GLN 60 Cb 0.44 -1.90 0.11 0.00 1.02 0.00 0.00 30.24 29.91 1q38 n GLN 60 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1q38 n TYR 61 N -2.27 0.08 0.00 1.08 4.02 -1.26 -5.08 117.16 113.73 1q38 n TYR 61 Ca 0.01 -0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 1q38 n TYR 61 Cb 0.19 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 1q38 n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q38 n GLY 62 N 1.28 1.07 3.71 2.72 0.00 -0.48 -5.03 105.19 108.46 1q38 n GLY 62 Ca 0.14 -2.21 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 1q38 n GLY 62 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1q38 n HIS 63 N -0.42 2.14 -1.72 1.61 1.44 -1.26 -1.81 115.22 115.20 1q38 n HIS 63 Ca 0.00 0.46 0.00 0.00 -2.01 0.00 0.00 57.72 56.17 1q38 n HIS 63 Cb 0.00 -2.36 0.00 0.00 0.12 0.00 0.00 29.99 27.75 1q38 n HIS 63 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1q38 n GLN 64 N -0.40 0.00 -3.73 -1.40 10.64 -0.86 -4.88 117.38 116.75 1q38 n GLN 64 Ca 0.08 -0.04 -0.13 0.00 -1.83 0.00 0.00 57.00 55.08 1q38 n GLN 64 Cb 0.42 -0.14 -0.13 0.00 -0.86 0.00 0.00 30.24 29.53 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 0.00 0.17 -0.04 2.61 2.12 -1.19 -4.99 118.70 117.38 1q38 s GLU 65 Ca 0.00 0.49 0.01 0.00 0.36 0.00 0.00 54.97 55.83 1q38 s GLU 65 Cb 0.00 -0.14 0.02 0.00 0.26 0.00 0.00 34.13 34.27 1q38 s GLU 65 CO 0.00 -0.17 -0.04 0.08 -0.54 0.00 0.00 175.26 174.59 1q38 s VAL 66 N 1.26 0.49 -0.06 3.70 1.01 -1.26 -0.49 120.40 125.06 1q38 s VAL 66 Ca -0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 1q38 s VAL 66 Cb -0.11 -0.51 0.03 0.00 0.00 0.00 0.00 36.38 35.79 1q38 s VAL 66 CO -0.08 0.20 -0.00 -0.89 0.00 0.00 0.00 175.10 174.33 1q38 s THR 67 N 0.76 0.32 -0.14 3.92 2.01 -0.63 -4.96 115.64 116.92 1q38 s THR 67 Ca -0.10 0.10 -0.06 0.00 0.31 0.00 0.00 61.69 61.94 1q38 s THR 67 Cb -0.13 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 1q38 s THR 67 CO 0.00 0.22 0.09 -0.13 -0.69 0.00 0.00 174.62 174.11 1q38 s ARG 68 N 1.60 3.60 0.05 4.92 0.52 -1.26 0.06 118.95 128.44 1q38 s ARG 68 Ca -0.01 -0.26 -0.21 0.00 -0.52 0.00 0.00 55.73 54.73 1q38 s ARG 68 Cb -0.13 -3.14 0.05 0.00 0.52 0.00 0.00 34.95 32.24 1q38 s ARG 68 CO -0.03 0.55 0.49 -0.59 0.02 0.00 0.00 175.30 175.74 1q38 s PHE 69 N -0.40 -0.38 -0.13 -0.53 -0.12 0.06 -5.01 117.98 111.47 1q38 s PHE 69 Ca 0.10 0.39 -0.04 0.00 -0.05 0.00 0.00 56.93 57.33 1q38 s PHE 69 Cb -0.12 0.31 -0.03 0.00 -0.63 0.00 0.00 43.02 42.55 1q38 s PHE 69 CO 0.02 -0.63 0.01 -0.51 -0.05 0.00 0.00 175.22 174.05 1q38 s ASP 70 N -2.03 5.20 0.03 1.98 1.11 -1.26 -0.72 116.67 120.99 1q38 s ASP 70 Ca -0.05 0.04 -0.17 0.00 0.18 0.00 0.00 52.55 52.55 1q38 s ASP 70 Cb -0.01 -1.71 0.03 0.00 1.07 0.00 0.00 42.92 42.30 1q38 s ASP 70 CO -0.03 0.26 0.38 0.72 1.18 0.00 0.00 175.17 177.68 1q38 s PHE 71 N -0.15 -0.23 0.19 4.23 -0.71 -0.77 -4.89 117.98 115.65 1q38 s PHE 71 Ca 0.05 0.22 -0.09 0.00 -1.04 0.00 0.00 56.93 56.07 1q38 s PHE 71 Cb -0.13 0.18 -0.01 0.00 -1.21 0.00 0.00 43.02 41.85 1q38 s PHE 71 CO 0.02 -0.52 0.32 0.99 -1.34 0.00 0.00 175.22 174.69 1q38 s THR 72 N -2.19 0.04 0.24 -4.49 2.01 -1.26 -2.07 115.64 107.93 1q38 s THR 72 Ca -0.07 -1.44 -0.07 0.00 0.31 0.00 0.00 61.69 60.42 1q38 s THR 72 Cb -0.02 -1.98 0.25 0.00 0.01 0.00 0.00 72.50 70.76 1q38 s THR 72 CO -0.01 -0.20 1.65 0.00 -0.69 0.00 0.00 174.62 175.38 1q38 h THR 73 N 2.48 0.41 0.00 -0.82 1.03 -1.83 -3.38 112.91 110.80 1q38 h THR 73 Ca -0.31 -0.05 -0.15 0.00 -0.01 0.00 0.00 66.41 65.90 1q38 h THR 73 Cb 1.24 0.25 -0.12 0.00 -1.07 0.00 0.00 68.15 68.45 1q38 h THR 73 CO 0.46 0.03 -0.09 1.07 -0.01 0.00 0.00 175.52 176.97 1q38 n THR 74 N -5.28 0.00 0.00 0.00 5.66 -1.26 -4.97 114.28 108.43 1q38 n THR 74 Ca 0.13 -1.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.12 1q38 n THR 74 Cb 0.45 0.79 0.00 0.00 -1.55 0.00 0.00 70.33 70.02 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 -0.61 0.00 0.00 1.09 2.88 -1.26 -4.97 113.62 110.75 1q38 n SER 75 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1q38 n SER 75 Cb 0.75 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 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 -0.29 0.00 0.00 2.46 -1.04 -1.26 -4.60 114.28 109.55 1q38 n THR 76 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1q38 n THR 76 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1q38 n THR 76 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1q38 n SER 77 N 5.22 0.00 0.04 8.00 2.88 -1.26 -4.47 113.62 124.04 1q38 n SER 77 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1q38 n SER 77 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 -1.91 2.46 -1.04 -1.26 -5.12 114.28 107.41 1q38 n THR 78 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1q38 n THR 78 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 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 -2.00 4.20 0.09 -2.82 0.04 -1.26 -4.92 135.00 128.33 1q38 s PRO 79 Ca 0.00 2.41 0.12 0.00 0.04 0.00 0.00 61.00 63.57 1q38 s PRO 79 Cb 0.00 -3.12 -0.15 0.00 0.04 0.00 0.00 34.50 31.27 1q38 s PRO 79 CO 0.00 -0.58 1.04 0.78 0.04 0.00 0.00 177.00 178.28 1q38 h GLY 80 N 6.09 0.00 -4.87 0.56 0.00 -2.05 -3.47 103.07 99.33 1q38 h GLY 80 Ca -0.44 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 1q38 h GLY 80 CO 0.87 0.00 -0.04 -0.45 0.00 0.00 0.00 176.54 176.92 1q38 s SER 81 N -6.30 -0.55 -0.66 0.19 0.15 -1.26 -5.07 113.70 100.19 1q38 s SER 81 Ca -0.01 0.95 0.03 0.00 0.70 0.00 0.00 55.95 57.62 1q38 s SER 81 Cb 0.09 0.96 0.37 0.00 -1.71 0.00 0.00 66.02 65.72 1q38 s SER 81 CO 0.81 -0.29 1.36 -2.11 1.20 0.00 0.00 173.24 174.20 1q38 n ARG 82 N 2.30 3.60 -3.27 5.44 1.85 -1.26 -4.90 116.66 120.43 1q38 n ARG 82 Ca -0.15 -4.46 -0.11 0.00 -1.00 0.00 0.00 57.85 52.13 1q38 n ARG 82 Cb 0.56 -2.29 0.03 0.00 -1.05 0.00 0.00 32.46 29.71 1q38 n ARG 82 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1q38 n SER 83 N -0.35 -6.88 -2.21 2.89 7.64 -1.26 -4.87 113.62 108.58 1q38 n SER 83 Ca 0.41 -0.46 -0.22 0.00 1.01 0.00 0.00 58.87 59.61 1q38 n SER 83 Cb 0.43 -4.68 -0.02 0.00 -1.01 0.00 0.00 64.21 58.92 1q38 n SER 83 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1q38 n HIS 84 N -2.57 1.49 -2.12 1.43 -0.00 -1.26 -4.90 115.22 107.29 1q38 n HIS 84 Ca -0.06 -1.93 0.00 0.00 0.46 0.00 0.00 57.72 56.18 1q38 n HIS 84 Cb 0.56 -1.21 0.00 0.00 -0.12 0.00 0.00 29.99 29.22 1q38 n HIS 84 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1q38 n HIS 85 N 0.73 -4.37 0.32 1.57 8.25 -1.26 -4.77 115.22 115.69 1q38 n HIS 85 Ca 0.40 2.61 0.21 0.00 -0.26 0.00 0.00 57.72 60.68 1q38 n HIS 85 Cb 0.58 -3.62 1.09 0.00 1.12 0.00 0.00 29.99 29.16 1q38 n HIS 85 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1q38 h HIS 86 N 3.83 0.00 -3.99 4.41 2.76 -2.03 -3.41 115.15 116.72 1q38 h HIS 86 Ca 0.00 0.00 -0.69 0.00 -2.20 0.00 0.00 60.37 57.48 1q38 h HIS 86 Cb 0.00 0.00 -0.23 0.00 1.55 0.00 0.00 27.41 28.73 1q38 h HIS 86 CO 0.00 0.00 -0.77 -1.01 -1.30 0.00 0.00 177.93 174.85 1q38 s HIS 87 N -4.02 2.68 -0.19 5.26 3.76 -1.26 -5.11 115.29 116.42 1q38 s HIS 87 Ca -0.04 -0.17 -0.04 0.00 -0.15 0.00 0.00 55.06 54.66 1q38 s HIS 87 Cb 0.12 -1.59 0.07 0.00 1.11 0.00 0.00 32.58 32.28 1q38 s HIS 87 CO 0.41 0.21 0.09 -1.58 -0.85 0.00 0.00 174.74 173.01 1q38 s HIS 88 N -0.79 0.37 0.00 1.40 2.46 -1.26 -5.13 115.29 112.34 1q38 s HIS 88 Ca 0.13 -0.49 0.00 0.00 0.47 0.00 0.00 55.06 55.16 1q38 s HIS 88 Cb -0.11 -0.79 0.00 0.00 -0.13 0.00 0.00 32.58 31.55 1q38 s HIS 88 CO 0.02 -0.57 0.17 1.58 -2.47 0.00 0.00 174.74 173.47