#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 -1.64 0.00 0.03 0.63 -1.26 -5.02 116.66 109.40 1q38 n ARG 2 Ca 0.00 0.88 0.00 0.00 -0.92 0.00 0.00 57.85 57.81 1q38 n ARG 2 Cb 0.00 -5.00 0.00 0.00 0.45 0.00 0.00 32.46 27.91 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 -1.53 6.36 0.00 5.14 0.00 -1.26 -5.17 105.19 108.73 1q38 n GLY 3 Ca -0.08 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 0.00 0.00 -0.98 1.61 7.64 -1.26 -5.03 113.62 115.61 1q38 n SER 4 Ca 0.00 -0.22 0.08 0.00 1.01 0.00 0.00 58.87 59.73 1q38 n SER 4 Cb 0.00 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.44 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 -0.67 3.72 -3.46 6.43 4.13 -1.26 -4.73 115.26 119.41 1q38 n ASN 5 Ca 0.00 -2.42 -0.27 0.00 1.68 0.00 0.00 54.58 53.57 1q38 n ASN 5 Cb 0.00 -0.42 -0.10 0.00 -1.54 0.00 0.00 39.78 37.72 1q38 n ASN 5 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1q38 n ALA 6 N 0.39 2.99 -0.09 5.41 0.00 -1.26 -4.97 120.51 122.98 1q38 n ALA 6 Ca 0.18 -3.59 -0.12 0.00 0.00 0.00 0.00 53.44 49.92 1q38 n ALA 6 Cb 0.69 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 19.27 1q38 n ALA 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1q38 h PRO 7 N 5.16 0.52 -3.61 0.00 0.11 -2.03 -3.46 132.00 128.70 1q38 h PRO 7 Ca 0.20 -0.21 -0.13 0.00 0.11 0.00 0.00 66.00 65.96 1q38 h PRO 7 Cb 0.85 -0.02 -0.19 0.00 0.11 0.00 0.00 31.00 31.75 1q38 h PRO 7 CO 0.50 0.76 -0.49 1.14 -0.21 0.00 0.00 178.00 179.70 1q38 s GLN 8 N -4.68 0.54 -0.26 1.05 0.00 -1.26 -5.11 119.66 109.94 1q38 s GLN 8 Ca -0.13 -0.54 -0.29 0.00 -0.00 0.00 0.00 55.36 54.40 1q38 s GLN 8 Cb 0.08 0.22 -0.03 0.00 0.00 0.00 0.00 33.01 33.27 1q38 s GLN 8 CO 0.77 -0.14 1.88 -1.25 0.00 0.00 0.00 175.29 176.56 1q38 s PRO 9 N -1.92 3.43 -0.72 9.60 0.04 -1.26 -4.91 135.00 139.26 1q38 s PRO 9 Ca -0.11 1.70 -0.26 0.00 0.04 0.00 0.00 61.00 62.38 1q38 s PRO 9 Cb -0.05 -4.21 -0.01 0.00 0.04 0.00 0.00 34.50 30.27 1q38 s PRO 9 CO -0.01 -1.75 1.74 0.45 0.04 0.00 0.00 177.00 177.48 1q38 s SER 10 N 6.16 5.49 0.38 6.66 0.15 -1.26 -4.89 113.70 126.39 1q38 s SER 10 Ca 0.84 -0.13 -0.12 0.00 0.70 0.00 0.00 55.95 57.24 1q38 s SER 10 Cb -0.27 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.54 1q38 s SER 10 CO 0.34 -2.29 0.72 -1.00 1.20 0.00 0.00 173.24 172.20 1q38 s HIS 11 N 8.39 0.36 0.52 3.44 3.76 -1.26 -5.10 115.29 125.39 1q38 s HIS 11 Ca 0.60 -0.94 -0.20 0.00 -0.15 0.00 0.00 55.06 54.38 1q38 s HIS 11 Cb -0.10 0.63 -0.07 0.00 1.11 0.00 0.00 32.58 34.15 1q38 s HIS 11 CO 0.13 -1.49 1.09 -1.50 -0.85 0.00 0.00 174.74 172.12 1q38 s ILE 12 N -2.42 3.47 0.18 0.60 1.10 -1.26 -4.95 121.20 117.93 1q38 s ILE 12 Ca 0.19 0.91 -0.17 0.00 -0.51 0.00 0.00 60.65 61.07 1q38 s ILE 12 Cb -0.04 -3.37 0.15 0.00 0.15 0.00 0.00 42.46 39.35 1q38 s ILE 12 CO 0.14 -0.20 1.64 0.28 -2.11 0.00 0.00 174.94 174.68 1q38 h SER 13 N 1.35 -0.61 -3.30 4.50 0.02 -1.92 -3.35 113.55 110.24 1q38 h SER 13 Ca -0.50 0.16 0.11 0.00 -0.84 0.00 0.00 61.79 60.73 1q38 h SER 13 Cb 1.24 0.36 -0.27 0.00 0.14 0.00 0.00 62.40 63.88 1q38 h SER 13 CO 0.58 -0.21 0.63 -1.59 -1.14 0.00 0.00 176.83 175.10 1q38 s LYS 14 N -6.18 0.40 -0.10 3.45 0.00 -1.02 -4.78 119.74 111.51 1q38 s LYS 14 Ca -0.14 0.28 -0.04 0.00 0.00 0.00 0.00 55.97 56.07 1q38 s LYS 14 Cb 0.16 0.19 -0.04 0.00 0.00 0.00 0.00 37.83 38.15 1q38 s LYS 14 CO 0.71 -0.09 0.05 -0.47 0.00 0.00 0.00 175.35 175.56 1q38 s TYR 15 N -0.41 3.31 -0.16 1.78 6.14 -0.87 -1.10 117.35 126.03 1q38 s TYR 15 Ca 0.03 0.30 0.00 0.00 0.64 0.00 0.00 57.07 58.04 1q38 s TYR 15 Cb -0.03 -1.85 0.00 0.00 0.42 0.00 0.00 41.96 40.50 1q38 s TYR 15 CO -0.06 0.54 -0.16 0.42 0.64 0.00 0.00 175.55 176.94 1q38 s ILE 16 N -0.88 2.54 -0.32 3.14 -1.09 0.62 -0.98 121.20 124.24 1q38 s ILE 16 Ca 0.13 -0.80 -0.09 0.00 -2.23 0.00 0.00 60.65 57.66 1q38 s ILE 16 Cb -0.12 -2.07 0.01 0.00 -1.58 0.00 0.00 42.46 38.70 1q38 s ILE 16 CO 0.03 0.52 0.14 -0.22 -1.23 0.00 0.00 174.94 174.18 1q38 s LEU 17 N 0.95 4.18 -0.14 2.97 2.96 -0.74 -0.72 118.68 128.15 1q38 s LEU 17 Ca -0.03 -0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 53.17 1q38 s LEU 17 Cb -0.15 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 1q38 s LEU 17 CO -0.03 -0.24 -0.12 0.00 -1.32 0.00 0.00 176.35 174.64 1q38 s ARG 18 N 1.56 3.38 -0.07 1.98 1.70 0.29 -2.18 118.95 125.61 1q38 s ARG 18 Ca 0.03 -0.68 -0.25 0.00 -0.47 0.00 0.00 55.73 54.36 1q38 s ARG 18 Cb -0.18 -2.67 0.06 0.00 -0.57 0.00 0.00 34.95 31.59 1q38 s ARG 18 CO 0.05 0.17 0.57 1.67 -1.08 0.00 0.00 175.30 176.68 1q38 s TRP 19 N 0.46 -0.53 0.12 5.89 -2.14 -1.01 0.19 118.94 121.91 1q38 s TRP 19 Ca -0.09 0.98 -0.11 0.00 2.66 0.00 0.00 56.10 59.54 1q38 s TRP 19 Cb -0.16 0.30 0.01 0.00 -3.10 0.00 0.00 33.47 30.52 1q38 s TRP 19 CO 0.04 -0.50 0.27 -0.98 -2.66 0.00 0.00 176.95 173.12 1q38 s ARG 20 N -0.99 0.98 -0.08 3.25 3.03 -0.97 -1.34 118.95 122.82 1q38 s ARG 20 Ca -0.10 -0.94 -0.31 0.00 2.03 0.00 0.00 55.73 56.41 1q38 s ARG 20 Cb -0.02 0.39 -0.09 0.00 -1.03 0.00 0.00 34.95 34.19 1q38 s ARG 20 CO 0.07 -0.34 2.01 -2.30 -1.13 0.00 0.00 175.30 173.60 1q38 n PRO 21 N -0.14 2.36 -0.07 3.89 -0.02 -1.26 -2.00 135.00 137.75 1q38 n PRO 21 Ca -0.14 0.82 -0.06 0.00 -2.02 0.00 0.00 63.50 62.11 1q38 n PRO 21 Cb 0.63 -2.90 0.13 0.00 -0.02 0.00 0.00 33.50 31.34 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 11.09 0.73 0.03 -0.52 3.64 -1.67 -3.32 116.57 126.54 1q38 h LYS 22 Ca -0.46 -0.26 -0.38 0.00 -1.27 0.00 0.00 60.65 58.27 1q38 h LYS 22 Cb 1.26 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 1q38 h LYS 22 CO 0.95 0.85 -2.24 -1.71 -2.27 0.00 0.00 179.45 175.03 1q38 n ASN 23 N -4.14 2.00 -4.92 4.20 2.85 -1.20 -4.98 115.26 109.06 1q38 n ASN 23 Ca 0.01 0.12 -0.27 0.00 -0.11 0.00 0.00 54.58 54.33 1q38 n ASN 23 Cb 0.39 -0.68 0.04 0.00 1.24 0.00 0.00 39.78 40.77 1q38 n ASN 23 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1q38 s SER 24 N -6.91 5.41 0.11 1.20 0.15 -1.25 -5.09 113.70 107.32 1q38 s SER 24 Ca -0.32 0.70 0.03 0.00 0.70 0.00 0.00 55.95 57.05 1q38 s SER 24 Cb 0.09 -1.60 -0.04 0.00 -1.71 0.00 0.00 66.02 62.77 1q38 s SER 24 CO 0.62 -1.20 0.16 0.54 1.20 0.00 0.00 173.24 174.56 1q38 s VAL 25 N -3.08 4.88 0.00 4.45 0.11 -1.26 -4.43 120.40 121.07 1q38 s VAL 25 Ca 0.56 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 1q38 s VAL 25 Cb -0.11 -3.43 0.00 0.00 -1.53 0.00 0.00 36.38 31.32 1q38 s VAL 25 CO 0.46 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.87 1q38 n GLY 26 N 0.04 -0.49 3.19 6.54 0.00 -1.26 -4.96 105.19 108.25 1q38 n GLY 26 Ca -0.07 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 1.13 0.83 1.61 1.70 -1.26 -5.06 118.95 117.89 1q38 s ARG 27 Ca 0.00 -1.58 -0.11 0.00 -0.47 0.00 0.00 55.73 53.57 1q38 s ARG 27 Cb 0.00 0.26 0.12 0.00 -0.57 0.00 0.00 34.95 34.76 1q38 s ARG 27 CO 0.00 -0.35 1.17 -1.58 -1.08 0.00 0.00 175.30 173.46 1q38 s TRP 28 N -4.13 2.36 -0.01 5.89 0.52 -1.26 -4.53 118.94 117.79 1q38 s TRP 28 Ca 0.35 0.43 0.00 0.00 0.02 0.00 0.00 56.10 56.91 1q38 s TRP 28 Cb 0.07 -3.59 0.01 0.00 -1.15 0.00 0.00 33.47 28.81 1q38 s TRP 28 CO 0.09 -1.97 -0.01 0.21 0.02 0.00 0.00 176.95 175.29 1q38 s LYS 29 N -5.56 0.11 -0.07 4.98 2.20 -0.45 -4.90 119.74 116.04 1q38 s LYS 29 Ca 0.66 -0.01 0.05 0.00 -0.36 0.00 0.00 55.97 56.32 1q38 s LYS 29 Cb -0.08 -0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.07 1q38 s LYS 29 CO 0.49 -0.01 -0.24 -1.21 -0.36 0.00 0.00 175.35 174.01 1q38 s GLU 30 N 0.23 2.71 -0.07 4.03 2.02 -1.24 -2.42 118.70 123.96 1q38 s GLU 30 Ca -0.02 -0.89 -0.03 0.00 0.02 0.00 0.00 54.97 54.06 1q38 s GLU 30 Cb -0.04 -2.19 0.04 0.00 0.10 0.00 0.00 34.13 32.04 1q38 s GLU 30 CO -0.01 0.30 0.06 0.00 0.02 0.00 0.00 175.26 175.64 1q38 s ALA 31 N 0.03 0.31 -0.04 5.21 0.00 -0.93 -4.93 121.76 121.42 1q38 s ALA 31 Ca -0.09 0.05 -0.24 0.00 0.00 0.00 0.00 51.96 51.68 1q38 s ALA 31 Cb -0.15 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 1q38 s ALA 31 CO 0.06 -0.64 0.71 0.99 0.00 0.00 0.00 175.76 176.87 1q38 s THR 32 N 2.15 4.99 -0.24 0.00 2.01 -1.25 -1.79 115.64 121.50 1q38 s THR 32 Ca 0.04 1.47 -0.02 0.00 0.31 0.00 0.00 61.69 63.49 1q38 s THR 32 Cb -0.13 -4.05 0.07 0.00 0.01 0.00 0.00 72.50 68.40 1q38 s THR 32 CO -0.04 0.28 0.06 -0.63 -0.69 0.00 0.00 174.62 173.59 1q38 s ILE 33 N 0.60 0.63 -0.77 1.82 1.09 -0.15 -4.92 121.20 119.50 1q38 s ILE 33 Ca 0.38 -0.85 -0.26 0.00 -1.10 0.00 0.00 60.65 58.82 1q38 s ILE 33 Cb -0.18 -1.25 -0.14 0.00 -1.06 0.00 0.00 42.46 39.83 1q38 s ILE 33 CO 0.19 -0.38 2.42 -2.65 -0.10 0.00 0.00 174.94 174.42 1q38 n PRO 34 N 4.99 0.59 0.00 2.79 -0.02 -1.26 -2.05 135.00 140.04 1q38 n PRO 34 Ca -0.07 -0.77 0.00 0.00 -2.02 0.00 0.00 63.50 60.64 1q38 n PRO 34 Cb 0.45 -3.64 0.00 0.00 -0.02 0.00 0.00 33.50 30.29 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 6.73 0.27 3.18 -1.23 0.00 -1.26 -3.88 105.19 109.01 1q38 n GLY 35 Ca 0.47 0.67 0.02 0.00 0.00 0.00 0.00 46.02 47.18 1q38 n GLY 35 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1q38 s HIS 36 N 0.00 -1.77 0.28 1.61 2.46 -1.26 -4.95 115.29 111.65 1q38 s HIS 36 Ca 0.00 0.56 0.03 0.00 0.47 0.00 0.00 55.06 56.13 1q38 s HIS 36 Cb 0.00 0.32 0.40 0.00 -0.13 0.00 0.00 32.58 33.17 1q38 s HIS 36 CO 0.00 -1.14 1.69 1.37 -2.47 0.00 0.00 174.74 174.20 1q38 h LEU 37 N 7.36 0.41 0.00 8.88 -0.00 -1.94 -3.48 115.31 126.54 1q38 h LEU 37 Ca 0.03 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.75 1q38 h LEU 37 Cb 1.18 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 1q38 h LEU 37 CO 0.12 0.73 0.00 0.59 -0.00 0.00 0.00 178.44 179.87 1q38 n ASN 38 N -4.07 0.00 -3.93 0.17 4.13 -1.26 -5.11 115.26 105.19 1q38 n ASN 38 Ca -0.01 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 55.96 1q38 n ASN 38 Cb 0.45 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.53 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1q38 s SER 39 N -4.00 2.72 -0.26 6.41 0.01 -1.26 -5.11 113.70 112.21 1q38 s SER 39 Ca 0.00 -0.57 -0.01 0.00 1.31 0.00 0.00 55.95 56.68 1q38 s SER 39 Cb 0.00 -0.99 0.03 0.00 0.21 0.00 0.00 66.02 65.28 1q38 s SER 39 CO 0.00 -0.14 -0.06 -0.47 0.41 0.00 0.00 173.24 172.98 1q38 s TYR 40 N 1.59 3.12 -0.09 2.43 5.04 -1.26 -5.10 117.35 123.09 1q38 s TYR 40 Ca 0.02 -1.71 0.03 0.00 -2.44 0.00 0.00 57.07 52.97 1q38 s TYR 40 Cb -0.14 -2.05 0.00 0.00 0.35 0.00 0.00 41.96 40.12 1q38 s TYR 40 CO -0.08 -0.77 -0.20 -0.08 -1.34 0.00 0.00 175.55 173.08 1q38 s THR 41 N 1.28 1.74 -0.09 4.34 -1.32 -1.26 -5.12 115.64 115.22 1q38 s THR 41 Ca -0.02 -0.84 -0.24 0.00 -1.21 0.00 0.00 61.69 59.38 1q38 s THR 41 Cb -0.18 -1.52 -0.03 0.00 -1.51 0.00 0.00 72.50 69.26 1q38 s THR 41 CO -0.04 0.49 0.76 -0.63 -2.21 0.00 0.00 174.62 172.99 1q38 s ILE 42 N 0.43 4.98 0.19 5.08 -1.09 -1.26 -5.06 121.20 124.48 1q38 s ILE 42 Ca -0.17 1.54 0.01 0.00 -2.23 0.00 0.00 60.65 59.80 1q38 s ILE 42 Cb -0.17 -4.09 0.01 0.00 -1.58 0.00 0.00 42.46 36.63 1q38 s ILE 42 CO 0.07 0.18 0.08 2.29 -1.23 0.00 0.00 174.94 176.33 1q38 n LYS 43 N 4.24 1.36 -2.80 2.79 0.00 -1.26 -4.84 118.16 117.66 1q38 n LYS 43 Ca 0.01 -1.23 -0.08 0.00 -0.00 0.00 0.00 58.31 57.01 1q38 n LYS 43 Cb 0.51 0.22 0.02 0.00 -0.00 0.00 0.00 35.03 35.78 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 2.77 0.42 1.39 2.58 0.00 -1.26 -5.04 105.19 106.05 1q38 n GLY 44 Ca -0.03 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.92 0.00 -3.53 0.99 4.77 -1.26 -4.47 117.00 111.58 1q38 n LEU 45 Ca -0.01 -1.33 -0.15 0.00 -0.03 0.00 0.00 56.01 54.49 1q38 n LEU 45 Cb 0.52 0.80 -0.05 0.00 -2.33 0.00 0.00 43.42 42.37 1q38 n LEU 45 CO 0.21 -0.24 0.54 -1.59 -1.33 0.00 0.00 177.39 174.98 1q38 s LYS 46 N -2.53 0.94 1.11 3.23 0.00 -1.26 -4.70 119.74 116.52 1q38 s LYS 46 Ca 0.16 0.14 -0.12 0.00 0.00 0.00 0.00 55.97 56.15 1q38 s LYS 46 Cb 0.01 0.44 0.25 0.00 0.00 0.00 0.00 37.83 38.53 1q38 s LYS 46 CO 0.11 -0.31 1.05 -2.14 0.00 0.00 0.00 175.35 174.07 1q38 s PRO 47 N -1.46 -0.48 0.00 1.78 0.02 -1.26 0.19 135.00 133.79 1q38 s PRO 47 Ca -0.07 0.82 0.00 0.00 0.02 0.00 0.00 61.00 61.77 1q38 s PRO 47 Cb -0.00 -1.61 0.00 0.00 0.02 0.00 0.00 34.50 32.91 1q38 s PRO 47 CO 0.05 -3.42 0.00 0.41 -0.33 0.00 0.00 177.00 173.71 1q38 n GLY 48 N 0.31 0.28 3.14 0.52 0.00 -1.26 -4.72 105.19 103.46 1q38 n GLY 48 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.08 2.08 -0.64 1.61 1.01 -1.26 -5.02 120.40 116.11 1q38 s VAL 49 Ca 0.00 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.77 1q38 s VAL 49 Cb 0.00 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.56 1q38 s VAL 49 CO 0.00 0.54 1.14 0.54 0.00 0.00 0.00 175.10 177.32 1q38 s VAL 50 N 1.14 4.04 0.34 2.92 0.11 -1.26 -3.24 120.40 124.45 1q38 s VAL 50 Ca 0.01 0.44 0.01 0.00 -2.93 0.00 0.00 61.98 59.51 1q38 s VAL 50 Cb -0.14 -4.74 -0.03 0.00 -1.53 0.00 0.00 36.38 29.93 1q38 s VAL 50 CO -0.09 -1.48 0.54 -0.31 -3.33 0.00 0.00 175.10 170.43 1q38 s TYR 51 N 4.88 3.50 -0.12 1.54 2.02 -0.18 -1.98 117.35 127.00 1q38 s TYR 51 Ca 0.35 0.33 0.02 0.00 -0.37 0.00 0.00 57.07 57.40 1q38 s TYR 51 Cb -0.10 -1.88 -0.00 0.00 -0.40 0.00 0.00 41.96 39.58 1q38 s TYR 51 CO 0.19 0.14 -0.20 -2.00 -1.57 0.00 0.00 175.55 172.11 1q38 s GLU 52 N -4.30 3.17 0.05 -0.62 2.56 -0.85 -1.26 118.70 117.45 1q38 s GLU 52 Ca 0.40 -0.80 0.09 0.00 0.00 0.00 0.00 54.97 54.65 1q38 s GLU 52 Cb -0.10 -2.45 -0.03 0.00 2.00 0.00 0.00 34.13 33.56 1q38 s GLU 52 CO 0.36 0.16 -0.24 0.20 -0.56 0.00 0.00 175.26 175.17 1q38 s GLY 53 N 0.43 1.32 -0.04 -1.50 0.00 -0.11 -2.30 107.32 105.13 1q38 s GLY 53 Ca -0.14 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 43.37 1q38 s GLY 53 CO 0.06 -1.13 -0.06 1.20 0.00 0.00 0.00 173.10 173.17 1q38 s GLN 54 N -1.31 0.87 -0.29 2.90 -0.21 0.13 -1.19 119.66 120.57 1q38 s GLN 54 Ca 0.10 -0.17 0.02 0.00 0.02 0.00 0.00 55.36 55.34 1q38 s GLN 54 Cb -0.10 -0.84 0.07 0.00 1.00 0.00 0.00 33.01 33.14 1q38 s GLN 54 CO 0.02 -0.02 -0.05 -1.17 -2.12 0.00 0.00 175.29 171.96 1q38 s LEU 55 N 0.65 3.88 -0.23 2.90 2.96 -0.41 -0.55 118.68 127.89 1q38 s LEU 55 Ca -0.09 -1.58 -0.01 0.00 -0.22 0.00 0.00 54.13 52.23 1q38 s LEU 55 Cb -0.12 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 44.99 1q38 s LEU 55 CO 0.01 -0.26 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.05 1q38 s ILE 56 N 1.08 2.63 -0.15 6.68 1.09 0.11 -1.31 121.20 131.32 1q38 s ILE 56 Ca -0.03 -1.01 -0.20 0.00 -1.10 0.00 0.00 60.65 58.30 1q38 s ILE 56 Cb -0.20 -2.29 -0.03 0.00 -1.06 0.00 0.00 42.46 38.88 1q38 s ILE 56 CO -0.05 0.29 0.59 -0.55 -0.10 0.00 0.00 174.94 175.11 1q38 s SER 57 N 1.31 6.72 -0.17 3.58 0.15 0.15 -0.27 113.70 125.16 1q38 s SER 57 Ca 0.01 0.86 -0.02 0.00 0.70 0.00 0.00 55.95 57.51 1q38 s SER 57 Cb -0.16 -2.33 -0.01 0.00 -1.71 0.00 0.00 66.02 61.81 1q38 s SER 57 CO -0.07 -0.16 -0.09 -0.63 1.20 0.00 0.00 173.24 173.49 1q38 s ILE 58 N 1.34 3.19 0.44 6.45 1.09 -0.26 -1.30 121.20 132.15 1q38 s ILE 58 Ca 0.29 -0.58 0.07 0.00 -1.10 0.00 0.00 60.65 59.32 1q38 s ILE 58 Cb -0.16 -2.39 0.07 0.00 -1.06 0.00 0.00 42.46 38.92 1q38 s ILE 58 CO 0.12 0.48 0.57 0.00 -0.10 0.00 0.00 174.94 176.01 1q38 n GLN 59 N 4.11 0.72 0.25 2.79 1.13 -0.53 -2.43 117.38 123.42 1q38 n GLN 59 Ca -0.18 -2.39 0.10 0.00 -1.94 0.00 0.00 57.00 52.59 1q38 n GLN 59 Cb 0.52 -0.13 0.65 0.00 0.11 0.00 0.00 30.24 31.38 1q38 n GLN 59 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1q38 h GLN 60 N 0.00 0.00 -0.03 -1.09 1.08 -1.98 -1.50 115.11 111.59 1q38 h GLN 60 Ca -0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1q38 h GLN 60 Cb 0.94 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.37 1q38 h GLN 60 CO 0.31 0.15 -0.04 0.66 -0.95 0.00 0.00 178.83 178.96 1q38 n TYR 61 N -3.90 0.00 0.00 2.96 4.01 -1.26 -5.06 117.16 113.91 1q38 n TYR 61 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1q38 n TYR 61 Cb 0.24 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 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 1.33 2.70 3.64 2.72 0.00 -0.57 -5.07 105.19 109.94 1q38 n GLY 62 Ca 0.14 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.11 0.97 -1.69 1.61 1.44 -1.26 -1.45 115.22 113.73 1q38 n HIS 63 Ca 0.00 0.41 0.00 0.00 -2.01 0.00 0.00 57.72 56.12 1q38 n HIS 63 Cb 0.00 -2.13 0.00 0.00 0.12 0.00 0.00 29.99 27.98 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 -1.77 0.00 -3.62 -1.40 10.64 -0.42 -4.81 117.38 116.01 1q38 n GLN 64 Ca 0.14 -0.11 -0.18 0.00 -1.83 0.00 0.00 57.00 55.02 1q38 n GLN 64 Cb 0.49 -0.15 -0.15 0.00 -0.86 0.00 0.00 30.24 29.56 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 0.08 -0.07 2.61 2.12 -1.20 -4.98 118.70 117.25 1q38 s GLU 65 Ca 0.00 0.43 -0.01 0.00 0.36 0.00 0.00 54.97 55.75 1q38 s GLU 65 Cb 0.00 -0.63 0.03 0.00 0.26 0.00 0.00 34.13 33.79 1q38 s GLU 65 CO 0.00 -0.42 -0.01 0.54 -0.54 0.00 0.00 175.26 174.83 1q38 s VAL 66 N 2.29 0.42 -0.07 3.70 0.11 -1.26 0.31 120.40 125.90 1q38 s VAL 66 Ca 0.04 0.08 -0.01 0.00 -2.93 0.00 0.00 61.98 59.16 1q38 s VAL 66 Cb -0.13 -0.55 0.03 0.00 -1.53 0.00 0.00 36.38 34.19 1q38 s VAL 66 CO -0.08 0.26 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.05 1q38 s THR 67 N 1.83 0.44 -0.20 5.04 2.01 -0.43 -5.00 115.64 119.33 1q38 s THR 67 Ca 0.03 0.06 -0.09 0.00 0.31 0.00 0.00 61.69 61.99 1q38 s THR 67 Cb -0.12 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.77 1q38 s THR 67 CO -0.05 0.26 0.11 -0.13 -0.69 0.00 0.00 174.62 174.13 1q38 s ARG 68 N 1.79 4.13 -0.22 4.92 0.52 -1.26 -1.28 118.95 127.54 1q38 s ARG 68 Ca 0.02 -0.25 -0.14 0.00 -0.52 0.00 0.00 55.73 54.84 1q38 s ARG 68 Cb -0.13 -3.37 0.07 0.00 0.52 0.00 0.00 34.95 32.04 1q38 s ARG 68 CO -0.05 0.28 0.55 -0.59 0.02 0.00 0.00 175.30 175.52 1q38 s PHE 69 N 0.40 -0.78 0.17 -0.53 -0.71 -0.33 -5.03 117.98 111.17 1q38 s PHE 69 Ca 0.07 1.66 -0.04 0.00 -1.04 0.00 0.00 56.93 57.57 1q38 s PHE 69 Cb -0.11 0.39 -0.05 0.00 -1.21 0.00 0.00 43.02 42.03 1q38 s PHE 69 CO -0.01 -0.40 0.40 0.16 -1.34 0.00 0.00 175.22 174.02 1q38 s ASP 70 N 1.20 6.47 0.03 1.98 1.47 -1.26 -0.93 116.67 125.63 1q38 s ASP 70 Ca -0.07 0.57 -0.16 0.00 1.18 0.00 0.00 52.55 54.06 1q38 s ASP 70 Cb -0.06 -2.08 0.03 0.00 -0.34 0.00 0.00 42.92 40.47 1q38 s ASP 70 CO -0.12 0.01 0.36 0.72 0.68 0.00 0.00 175.17 176.83 1q38 s PHE 71 N -1.74 -0.21 0.40 2.11 -0.71 -0.39 -4.88 117.98 112.56 1q38 s PHE 71 Ca 0.41 0.17 0.08 0.00 -1.04 0.00 0.00 56.93 56.54 1q38 s PHE 71 Cb -0.12 0.16 -0.00 0.00 -1.21 0.00 0.00 43.02 41.85 1q38 s PHE 71 CO 0.26 -0.52 0.48 0.95 -1.34 0.00 0.00 175.22 175.05 1q38 s THR 72 N -2.29 3.13 -0.08 -4.49 -4.23 -1.26 -1.01 115.64 105.41 1q38 s THR 72 Ca -0.07 -1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 59.29 1q38 s THR 72 Cb -0.01 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.75 1q38 s THR 72 CO -0.01 -0.04 0.11 0.41 -0.54 0.00 0.00 174.62 174.54 1q38 n THR 73 N -1.69 -3.48 0.00 3.99 -1.04 -1.20 -4.93 114.28 105.92 1q38 n THR 73 Ca 0.05 0.14 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 1q38 n THR 73 Cb 0.60 -4.53 0.00 0.00 -1.82 0.00 0.00 70.33 64.58 1q38 n THR 73 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1q38 n THR 74 N -0.54 0.00 -4.36 12.58 5.66 0.13 -4.61 114.28 123.15 1q38 n THR 74 Ca 0.02 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.86 1q38 n THR 74 Cb 0.12 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.87 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 0.00 2.07 -4.80 1.09 2.88 -1.20 -4.29 113.62 109.37 1q38 n SER 75 Ca 0.00 -2.20 -0.33 0.00 -1.33 0.00 0.00 58.87 55.00 1q38 n SER 75 Cb 0.00 0.35 -0.01 0.00 -0.75 0.00 0.00 64.21 63.80 1q38 n SER 75 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1q38 s THR 76 N -2.16 3.83 -0.01 2.46 -4.23 -1.26 -4.67 115.64 109.60 1q38 s THR 76 Ca 0.05 0.99 0.01 0.00 -1.18 0.00 0.00 61.69 61.56 1q38 s THR 76 Cb 0.00 -3.43 0.00 0.00 1.34 0.00 0.00 72.50 70.42 1q38 s THR 76 CO 0.03 -0.40 -0.03 -0.94 -0.54 0.00 0.00 174.62 172.74 1q38 s SER 77 N -2.44 0.47 -0.39 3.99 1.04 -1.26 -4.87 113.70 110.25 1q38 s SER 77 Ca 0.65 -0.07 0.11 0.00 0.48 0.00 0.00 55.95 57.12 1q38 s SER 77 Cb -0.16 -0.09 0.34 0.00 0.10 0.00 0.00 66.02 66.21 1q38 s SER 77 CO 0.29 0.03 0.79 0.35 0.98 0.00 0.00 173.24 175.67 1q38 n THR 78 N 3.17 -0.17 0.00 2.02 -2.24 -1.26 -5.11 114.28 110.69 1q38 n THR 78 Ca -0.15 -3.96 0.00 0.00 -2.27 0.00 0.00 64.05 57.67 1q38 n THR 78 Cb 0.57 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.39 2.52 0.00 -0.78 -0.04 -1.26 -5.05 135.00 130.78 1q38 n PRO 79 Ca 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1q38 n PRO 79 Cb 0.66 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.12 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 4.98 0.19 0.00 0.55 0.00 -1.26 -4.90 105.19 104.74 1q38 n GLY 80 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 0.31 -4.78 1.61 3.41 -1.26 -5.05 113.62 107.86 1q38 n SER 81 Ca 0.00 -0.70 -0.38 0.00 -0.26 0.00 0.00 58.87 57.53 1q38 n SER 81 Cb 0.00 0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 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 -0.22 4.16 0.08 4.33 3.00 -1.26 -5.08 118.95 123.96 1q38 s ARG 82 Ca 0.00 0.50 0.03 0.00 0.00 0.00 0.00 55.73 56.26 1q38 s ARG 82 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 34.95 31.59 1q38 s ARG 82 CO 0.00 0.45 0.08 -1.12 0.00 0.00 0.00 175.30 174.71 1q38 s SER 83 N -0.35 5.54 -0.44 0.23 0.01 -1.26 -4.98 113.70 112.45 1q38 s SER 83 Ca 0.26 -0.00 0.08 0.00 1.31 0.00 0.00 55.95 57.60 1q38 s SER 83 Cb -0.17 -1.49 0.28 0.00 0.21 0.00 0.00 66.02 64.85 1q38 s SER 83 CO 0.13 0.17 0.64 1.41 0.41 0.00 0.00 173.24 176.00 1q38 n HIS 84 N 0.47 0.79 0.27 2.43 8.25 -1.26 -4.84 115.22 121.33 1q38 n HIS 84 Ca -0.09 -3.75 0.04 0.00 -0.26 0.00 0.00 57.72 53.66 1q38 n HIS 84 Cb 0.52 -0.41 -0.05 0.00 1.12 0.00 0.00 29.99 31.16 1q38 n HIS 84 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1q38 n HIS 85 N 0.96 0.00 -3.81 4.41 8.25 -1.26 -4.98 115.22 118.78 1q38 n HIS 85 Ca 0.24 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.61 1q38 n HIS 85 Cb 0.53 -0.05 0.02 0.00 1.12 0.00 0.00 29.99 31.61 1q38 n HIS 85 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1q38 s HIS 86 N -1.94 0.14 0.00 4.41 3.76 -1.26 -5.14 115.29 115.26 1q38 s HIS 86 Ca 0.01 -0.81 0.00 0.00 -0.15 0.00 0.00 55.06 54.11 1q38 s HIS 86 Cb 0.06 0.83 0.00 0.00 1.11 0.00 0.00 32.58 34.57 1q38 s HIS 86 CO 0.32 -1.57 0.00 1.58 -0.85 0.00 0.00 174.74 174.22 1q38 n HIS 87 N -0.53 -0.13 -1.81 1.40 -0.00 -1.26 -4.69 115.22 108.20 1q38 n HIS 87 Ca -0.08 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.32 1q38 n HIS 87 Cb 0.60 0.09 0.03 0.00 -0.00 0.00 0.00 29.99 30.71 1q38 n HIS 87 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1q38 s HIS 88 N 0.00 3.12 0.00 1.57 0.00 -1.26 -5.14 115.29 113.58 1q38 s HIS 88 Ca 0.00 1.45 0.00 0.00 -3.00 0.00 0.00 55.06 53.51 1q38 s HIS 88 Cb 0.00 -2.91 0.00 0.00 -4.00 0.00 0.00 32.58 25.67 1q38 s HIS 88 CO 0.00 -1.10 0.00 -2.39 -1.00 0.00 0.00 174.74 170.25