#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 1.34 0.00 2.12 1.74 -1.26 -4.77 116.66 115.83 1q38 n ARG 2 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1q38 n ARG 2 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1q38 n ARG 2 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q38 n GLY 3 N 5.00 2.87 3.62 -0.13 0.00 -1.26 -5.05 105.19 110.24 1q38 n GLY 3 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1q38 n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q38 s SER 4 N -1.47 6.17 0.47 1.61 0.01 -1.26 -4.75 113.70 114.48 1q38 s SER 4 Ca 0.00 1.66 0.00 0.00 1.31 0.00 0.00 55.95 58.92 1q38 s SER 4 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1q38 s SER 4 CO 0.00 -1.42 0.00 0.59 0.41 0.00 0.00 173.24 172.82 1q38 n ASN 5 N 9.14 -8.03 -3.00 2.44 4.13 -1.26 -4.97 115.26 113.70 1q38 n ASN 5 Ca 0.21 1.01 -0.15 0.00 1.68 0.00 0.00 54.58 57.33 1q38 n ASN 5 Cb 0.45 -4.39 0.02 0.00 -1.54 0.00 0.00 39.78 34.31 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 -3.38 -2.86 -1.67 5.41 0.00 -1.26 -4.83 120.51 111.93 1q38 n ALA 6 Ca -0.04 0.98 -0.45 0.00 0.00 0.00 0.00 53.44 53.92 1q38 n ALA 6 Cb 0.63 -3.39 -0.04 0.00 0.00 0.00 0.00 19.45 16.65 1q38 n ALA 6 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1q38 n PRO 7 N -0.24 2.52 -4.54 0.00 -0.02 -1.26 -4.96 135.00 126.49 1q38 n PRO 7 Ca 0.07 0.92 -0.32 0.00 -2.02 0.00 0.00 63.50 62.15 1q38 n PRO 7 Cb 0.50 -2.82 -0.11 0.00 -0.02 0.00 0.00 33.50 31.05 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 4.05 2.42 0.26 -0.52 -2.07 -1.26 -5.12 119.66 117.43 1q38 s GLN 8 Ca 0.90 -0.79 -0.26 0.00 -1.82 0.00 0.00 55.36 53.39 1q38 s GLN 8 Cb -0.57 -2.41 -0.09 0.00 -1.09 0.00 0.00 33.01 28.85 1q38 s GLN 8 CO 0.46 0.59 0.88 -1.25 -1.32 0.00 0.00 175.29 174.65 1q38 s PRO 9 N -1.37 4.59 0.00 9.60 0.04 -1.26 -4.97 135.00 141.63 1q38 s PRO 9 Ca 0.16 1.26 0.22 0.00 0.04 0.00 0.00 61.00 62.68 1q38 s PRO 9 Cb -0.11 -3.01 0.08 0.00 0.04 0.00 0.00 34.50 31.50 1q38 s PRO 9 CO 0.06 0.41 1.11 0.45 0.04 0.00 0.00 177.00 179.07 1q38 n SER 10 N 0.99 2.36 0.00 6.66 2.88 -1.26 -4.90 113.62 120.35 1q38 n SER 10 Ca -0.01 -1.68 0.00 0.00 -1.33 0.00 0.00 58.87 55.85 1q38 n SER 10 Cb 0.49 0.26 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 1q38 n SER 10 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1q38 n HIS 11 N 0.55 0.00 -1.48 0.66 8.25 -1.26 -4.34 115.22 117.59 1q38 n HIS 11 Ca 0.11 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.24 1q38 n HIS 11 Cb 0.49 0.03 0.08 0.00 1.12 0.00 0.00 29.99 31.71 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 2.96 0.27 1.59 2.07 -1.26 -4.91 121.20 121.92 1q38 s ILE 12 Ca 0.00 0.41 0.00 0.00 -1.41 0.00 0.00 60.65 59.65 1q38 s ILE 12 Cb 0.00 -2.88 0.26 0.00 0.13 0.00 0.00 42.46 39.96 1q38 s ILE 12 CO 0.00 -0.31 1.79 0.28 -1.91 0.00 0.00 174.94 174.79 1q38 h SER 13 N -0.47 0.69 -4.08 4.50 0.02 -1.83 -3.37 113.55 109.02 1q38 h SER 13 Ca -0.46 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.55 1q38 h SER 13 Cb 1.25 -0.05 -0.22 0.00 0.14 0.00 0.00 62.40 63.52 1q38 h SER 13 CO 0.51 0.33 0.25 -1.59 -1.14 0.00 0.00 176.83 175.19 1q38 s LYS 14 N -5.96 0.80 0.16 3.45 -2.85 -1.03 -4.71 119.74 109.59 1q38 s LYS 14 Ca -0.12 0.68 0.10 0.00 -1.00 0.00 0.00 55.97 55.62 1q38 s LYS 14 Cb 0.22 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.33 1q38 s LYS 14 CO 0.79 -0.15 -0.22 -0.47 0.10 0.00 0.00 175.35 175.40 1q38 s TYR 15 N -0.14 2.03 -0.16 1.78 5.04 -0.88 -0.97 117.35 124.04 1q38 s TYR 15 Ca -0.02 -0.41 0.02 0.00 -2.44 0.00 0.00 57.07 54.21 1q38 s TYR 15 Cb -0.03 -1.04 0.02 0.00 0.35 0.00 0.00 41.96 41.25 1q38 s TYR 15 CO 0.02 0.36 -0.21 0.42 -1.34 0.00 0.00 175.55 174.80 1q38 s ILE 16 N -1.61 2.05 -0.32 3.14 1.09 0.69 -0.53 121.20 125.71 1q38 s ILE 16 Ca 0.15 -0.95 -0.10 0.00 -1.10 0.00 0.00 60.65 58.66 1q38 s ILE 16 Cb -0.08 -1.84 0.00 0.00 -1.06 0.00 0.00 42.46 39.49 1q38 s ILE 16 CO 0.07 0.54 0.16 -0.22 -0.10 0.00 0.00 174.94 175.39 1q38 s LEU 17 N 1.12 4.23 -0.12 2.97 2.96 -0.70 -2.73 118.68 126.40 1q38 s LEU 17 Ca 0.00 -0.66 0.02 0.00 -0.22 0.00 0.00 54.13 53.27 1q38 s LEU 17 Cb -0.14 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 1q38 s LEU 17 CO -0.09 -0.24 -0.18 0.00 -1.32 0.00 0.00 176.35 174.52 1q38 s ARG 18 N 1.58 3.24 0.04 1.98 1.70 -1.23 -2.08 118.95 124.18 1q38 s ARG 18 Ca 0.04 -0.77 -0.02 0.00 -0.47 0.00 0.00 55.73 54.51 1q38 s ARG 18 Cb -0.18 -2.49 -0.03 0.00 -0.57 0.00 0.00 34.95 31.69 1q38 s ARG 18 CO 0.06 0.19 0.00 1.67 -1.08 0.00 0.00 175.30 176.14 1q38 s TRP 19 N 0.36 0.35 -0.13 5.89 -2.14 -0.95 -2.60 118.94 119.71 1q38 s TRP 19 Ca -0.14 -0.74 -0.28 0.00 2.66 0.00 0.00 56.10 57.60 1q38 s TRP 19 Cb -0.17 -0.26 0.07 0.00 -3.10 0.00 0.00 33.47 30.01 1q38 s TRP 19 CO 0.07 -0.31 0.69 0.50 -2.66 0.00 0.00 176.95 175.24 1q38 s ARG 20 N -2.70 0.97 -0.14 3.25 3.00 -0.79 -1.78 118.95 120.77 1q38 s ARG 20 Ca -0.04 0.53 -0.30 0.00 -1.00 0.00 0.00 55.73 54.92 1q38 s ARG 20 Cb -0.01 0.46 -0.08 0.00 0.00 0.00 0.00 34.95 35.32 1q38 s ARG 20 CO -0.05 -0.24 2.09 -2.30 0.00 0.00 0.00 175.30 174.80 1q38 n PRO 21 N 1.59 2.17 -0.05 5.12 -0.02 -1.26 -1.23 135.00 141.32 1q38 n PRO 21 Ca -0.17 0.70 -0.03 0.00 -2.02 0.00 0.00 63.50 61.98 1q38 n PRO 21 Cb 0.56 -2.99 0.20 0.00 -0.02 0.00 0.00 33.50 31.25 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 12.53 0.65 0.07 -0.52 3.64 -1.74 0.18 116.57 131.38 1q38 h LYS 22 Ca -0.43 -0.19 -0.33 0.00 -1.27 0.00 0.00 60.65 58.43 1q38 h LYS 22 Cb 1.25 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1q38 h LYS 22 CO 0.96 0.72 -1.82 -1.71 -2.27 0.00 0.00 179.45 175.34 1q38 n ASN 23 N -4.20 2.02 0.00 4.20 2.85 -1.25 -4.06 115.26 114.82 1q38 n ASN 23 Ca 0.01 0.26 0.15 0.00 -0.11 0.00 0.00 54.58 54.90 1q38 n ASN 23 Cb 0.32 -0.87 0.87 0.00 1.24 0.00 0.00 39.78 41.35 1q38 n ASN 23 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1q38 n SER 24 N -3.82 0.00 -3.63 1.20 2.88 -1.24 -4.92 113.62 104.08 1q38 n SER 24 Ca -0.34 -1.02 -0.19 0.00 -1.33 0.00 0.00 58.87 55.99 1q38 n SER 24 Cb 0.91 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.38 1q38 n SER 24 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1q38 n VAL 25 N -0.97 -1.35 -1.12 2.46 0.24 0.62 -4.92 118.33 113.28 1q38 n VAL 25 Ca 0.22 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1q38 n VAL 25 Cb 0.10 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.30 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 -1.34 1.65 3.93 7.63 0.00 -1.21 -4.98 105.19 110.87 1q38 n GLY 26 Ca -0.09 -1.88 -0.25 0.00 0.00 0.00 0.00 46.02 43.80 1q38 n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q38 s ARG 27 N 3.05 2.94 0.62 1.61 3.00 -1.26 -4.73 118.95 124.18 1q38 s ARG 27 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 55.73 55.57 1q38 s ARG 27 Cb 0.00 -2.35 0.07 0.00 0.00 0.00 0.00 34.95 32.66 1q38 s ARG 27 CO 0.00 -0.59 0.87 -1.58 0.00 0.00 0.00 175.30 173.99 1q38 s TRP 28 N -2.87 2.42 -0.19 -0.53 0.52 -1.26 -4.40 118.94 112.62 1q38 s TRP 28 Ca 0.53 -0.08 -0.08 0.00 0.02 0.00 0.00 56.10 56.49 1q38 s TRP 28 Cb -0.10 -2.86 0.08 0.00 -1.15 0.00 0.00 33.47 29.44 1q38 s TRP 28 CO 0.43 -1.20 0.43 0.15 0.02 0.00 0.00 176.95 176.78 1q38 s LYS 29 N -4.93 0.36 -0.10 4.98 1.02 -0.73 -4.92 119.74 115.43 1q38 s LYS 29 Ca 0.61 0.96 0.04 0.00 0.02 0.00 0.00 55.97 57.59 1q38 s LYS 29 Cb -0.09 0.20 -0.00 0.00 -0.52 0.00 0.00 37.83 37.42 1q38 s LYS 29 CO 0.41 -0.21 -0.23 -1.83 -0.92 0.00 0.00 175.35 172.57 1q38 s GLU 30 N 2.14 3.07 -0.03 1.68 4.04 -1.23 -2.25 118.70 126.13 1q38 s GLU 30 Ca -0.05 -0.86 0.04 0.00 0.04 0.00 0.00 54.97 54.14 1q38 s GLU 30 Cb -0.10 -2.33 -0.00 0.00 0.02 0.00 0.00 34.13 31.71 1q38 s GLU 30 CO -0.13 0.19 -0.14 0.00 -1.84 0.00 0.00 175.26 173.34 1q38 s ALA 31 N 0.33 1.20 -0.34 -0.84 0.00 -0.88 -4.90 121.76 116.33 1q38 s ALA 31 Ca -0.18 -0.55 -0.25 0.00 0.00 0.00 0.00 51.96 50.98 1q38 s ALA 31 Cb -0.18 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.58 1q38 s ALA 31 CO 0.09 0.24 0.86 0.99 0.00 0.00 0.00 175.76 177.93 1q38 s THR 32 N -0.04 4.69 -0.21 0.00 2.01 -1.26 -1.71 115.64 119.11 1q38 s THR 32 Ca -0.00 1.19 -0.01 0.00 0.31 0.00 0.00 61.69 63.17 1q38 s THR 32 Cb -0.08 -4.25 0.06 0.00 0.01 0.00 0.00 72.50 68.24 1q38 s THR 32 CO 0.01 -0.40 -0.01 -0.63 -0.69 0.00 0.00 174.62 172.89 1q38 s ILE 33 N 3.22 1.06 -0.74 1.82 1.01 0.31 -4.90 121.20 122.98 1q38 s ILE 33 Ca 0.35 -0.88 -0.19 0.00 0.00 0.00 0.00 60.65 59.93 1q38 s ILE 33 Cb -0.13 -1.42 -0.17 0.00 0.01 0.00 0.00 42.46 40.74 1q38 s ILE 33 CO 0.16 -0.13 1.77 -2.65 0.00 0.00 0.00 174.94 174.09 1q38 n PRO 34 N 4.85 0.06 -3.89 2.79 -0.02 -1.26 -2.08 135.00 135.45 1q38 n PRO 34 Ca -0.11 -1.19 -0.31 0.00 -2.02 0.00 0.00 63.50 59.88 1q38 n PRO 34 Cb 0.46 -3.05 -0.03 0.00 -0.02 0.00 0.00 33.50 30.86 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 5.61 -0.45 2.64 -1.23 0.00 -1.26 -3.55 105.19 106.95 1q38 n GLY 35 Ca 0.29 0.10 -0.04 0.00 0.00 0.00 0.00 46.02 46.37 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 -4.01 -4.36 0.08 1.61 -0.00 -1.21 -4.77 115.22 102.56 1q38 n HIS 36 Ca 0.06 2.38 -0.05 0.00 0.46 0.00 0.00 57.72 60.57 1q38 n HIS 36 Cb 0.50 -3.95 0.13 0.00 -0.12 0.00 0.00 29.99 26.55 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 3.83 0.28 0.00 0.27 -0.00 -1.90 -3.48 115.31 114.32 1q38 h LEU 37 Ca -0.41 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.32 1q38 h LEU 37 Cb 0.93 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.51 1q38 h LEU 37 CO 0.04 0.79 0.00 0.59 -0.00 0.00 0.00 178.44 179.86 1q38 n ASN 38 N -3.90 0.00 -4.07 0.17 3.02 -1.26 -4.99 115.26 104.23 1q38 n ASN 38 Ca -0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.23 1q38 n ASN 38 Cb 0.60 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.60 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1q38 s SER 39 N 2.00 2.66 -0.13 6.41 1.04 -1.26 -5.11 113.70 119.31 1q38 s SER 39 Ca 0.00 -0.49 -0.00 0.00 0.48 0.00 0.00 55.95 55.94 1q38 s SER 39 Cb 0.00 -1.20 0.03 0.00 0.10 0.00 0.00 66.02 64.95 1q38 s SER 39 CO 0.00 0.01 -0.09 -0.47 0.98 0.00 0.00 173.24 173.67 1q38 s TYR 40 N 1.08 1.72 0.03 5.02 5.04 -1.26 -5.13 117.35 123.85 1q38 s TYR 40 Ca -0.04 -0.93 -0.04 0.00 -2.44 0.00 0.00 57.07 53.63 1q38 s TYR 40 Cb -0.14 -1.36 -0.04 0.00 0.35 0.00 0.00 41.96 40.77 1q38 s TYR 40 CO -0.04 -0.57 0.24 -0.08 -1.34 0.00 0.00 175.55 173.75 1q38 s THR 41 N 1.63 5.35 -0.29 4.34 -1.32 -1.26 -5.09 115.64 119.00 1q38 s THR 41 Ca 0.04 -0.08 -0.07 0.00 -1.21 0.00 0.00 61.69 60.37 1q38 s THR 41 Cb -0.13 -3.58 0.01 0.00 -1.51 0.00 0.00 72.50 67.29 1q38 s THR 41 CO -0.09 0.26 0.08 -0.63 -2.21 0.00 0.00 174.62 172.04 1q38 s ILE 42 N -1.40 4.01 0.00 5.08 1.01 -1.26 -5.05 121.20 123.60 1q38 s ILE 42 Ca 0.31 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1q38 s ILE 42 Cb -0.13 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.28 1q38 s ILE 42 CO 0.20 0.09 0.00 0.29 0.00 0.00 0.00 174.94 175.52 1q38 n LYS 43 N 4.87 0.00 -2.96 2.79 4.76 -1.26 -4.28 118.16 122.08 1q38 n LYS 43 Ca -0.15 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.19 1q38 n LYS 43 Cb 0.48 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.65 1q38 n LYS 43 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1q38 s GLY 44 N 0.00 -0.52 0.00 0.72 0.00 -1.26 -4.97 107.32 101.29 1q38 s GLY 44 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1q38 s GLY 44 CO 0.00 3.20 0.00 1.04 0.00 0.00 0.00 173.10 177.34 1q38 n LEU 45 N 2.95 0.00 -3.68 0.66 7.99 -1.26 -4.98 117.00 118.68 1q38 n LEU 45 Ca 0.21 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 56.08 1q38 n LEU 45 Cb 0.53 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.76 1q38 n LEU 45 CO 0.01 -0.15 0.25 -0.75 -1.51 0.00 0.00 177.39 175.24 1q38 s LYS 46 N 0.00 0.67 -0.34 3.23 2.36 -1.26 -4.69 119.74 119.71 1q38 s LYS 46 Ca 0.00 0.74 -0.29 0.00 -2.55 0.00 0.00 55.97 53.87 1q38 s LYS 46 Cb 0.00 0.33 -0.07 0.00 -1.05 0.00 0.00 37.83 37.03 1q38 s LYS 46 CO 0.00 -0.09 2.29 -2.30 1.55 0.00 0.00 175.35 176.80 1q38 n PRO 47 N 2.66 1.49 0.00 4.03 -0.02 -1.26 -2.44 135.00 139.47 1q38 n PRO 47 Ca -0.14 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1q38 n PRO 47 Cb 0.56 -3.10 0.00 0.00 -0.02 0.00 0.00 33.50 30.95 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 6.01 0.02 3.44 -1.23 0.00 -1.26 -5.06 105.19 107.12 1q38 n GLY 48 Ca 0.35 0.00 -0.38 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 -0.54 4.60 -0.32 1.61 1.01 -1.02 -4.96 120.40 120.78 1q38 s VAL 49 Ca 0.00 -0.40 -0.26 0.00 0.00 0.00 0.00 61.98 61.32 1q38 s VAL 49 Cb 0.00 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 33.05 1q38 s VAL 49 CO 0.00 0.08 0.94 0.54 0.00 0.00 0.00 175.10 176.66 1q38 s VAL 50 N 1.62 4.63 0.41 2.92 0.11 -1.26 -1.46 120.40 127.37 1q38 s VAL 50 Ca 0.05 1.44 0.08 0.00 -2.93 0.00 0.00 61.98 60.61 1q38 s VAL 50 Cb -0.17 -4.30 -0.03 0.00 -1.53 0.00 0.00 36.38 30.36 1q38 s VAL 50 CO 0.06 -0.40 0.34 -0.31 -3.33 0.00 0.00 175.10 171.46 1q38 s TYR 51 N 3.35 2.71 -0.08 1.54 2.02 0.33 -2.51 117.35 124.70 1q38 s TYR 51 Ca 0.39 -0.49 0.03 0.00 -0.37 0.00 0.00 57.07 56.63 1q38 s TYR 51 Cb -0.13 -2.10 0.01 0.00 -0.40 0.00 0.00 41.96 39.34 1q38 s TYR 51 CO 0.15 -0.04 -0.18 -2.00 -1.57 0.00 0.00 175.55 171.90 1q38 s GLU 52 N -4.08 2.41 -0.00 -0.62 2.56 -0.36 -1.76 118.70 116.84 1q38 s GLU 52 Ca 0.46 -0.66 0.01 0.00 0.00 0.00 0.00 54.97 54.79 1q38 s GLU 52 Cb -0.02 -1.88 -0.00 0.00 2.00 0.00 0.00 34.13 34.23 1q38 s GLU 52 CO 0.27 0.10 -0.03 0.20 -0.56 0.00 0.00 175.26 175.24 1q38 s GLY 53 N 0.50 0.16 -0.02 -1.50 0.00 -0.91 -1.89 107.32 103.67 1q38 s GLY 53 Ca -0.17 -0.12 0.03 0.00 0.00 0.00 0.00 44.72 44.46 1q38 s GLY 53 CO 0.06 -0.09 -0.11 1.20 0.00 0.00 0.00 173.10 174.17 1q38 s GLN 54 N -0.03 0.99 -0.47 2.90 -0.21 -1.07 -1.90 119.66 119.85 1q38 s GLN 54 Ca 0.01 -0.39 -0.16 0.00 0.02 0.00 0.00 55.36 54.84 1q38 s GLN 54 Cb -0.02 -0.94 0.07 0.00 1.00 0.00 0.00 33.01 33.13 1q38 s GLN 54 CO -0.00 0.21 0.42 -0.51 -2.12 0.00 0.00 175.29 173.29 1q38 s LEU 55 N -0.12 5.53 -0.26 2.90 2.01 0.44 -3.59 118.68 125.58 1q38 s LEU 55 Ca 0.02 -1.26 -0.01 0.00 0.01 0.00 0.00 54.13 52.89 1q38 s LEU 55 Cb -0.06 -2.22 0.04 0.00 0.01 0.00 0.00 46.19 43.96 1q38 s LEU 55 CO -0.00 -0.67 -0.06 -0.63 1.01 0.00 0.00 176.35 176.00 1q38 s ILE 56 N 1.77 2.76 -0.14 -0.59 1.09 -1.11 -1.25 121.20 123.73 1q38 s ILE 56 Ca 0.05 -1.19 -0.04 0.00 -1.10 0.00 0.00 60.65 58.37 1q38 s ILE 56 Cb -0.23 -2.47 -0.03 0.00 -1.06 0.00 0.00 42.46 38.66 1q38 s ILE 56 CO 0.07 0.11 0.01 -0.55 -0.10 0.00 0.00 174.94 174.48 1q38 s SER 57 N 1.27 5.25 -0.15 3.58 0.15 0.15 -0.22 113.70 123.73 1q38 s SER 57 Ca -0.02 0.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.66 1q38 s SER 57 Cb -0.18 -1.75 -0.01 0.00 -1.71 0.00 0.00 66.02 62.37 1q38 s SER 57 CO -0.04 0.24 -0.12 -0.63 1.20 0.00 0.00 173.24 173.90 1q38 s ILE 58 N -0.07 3.05 0.56 6.45 1.01 -0.15 -1.38 121.20 130.67 1q38 s ILE 58 Ca 0.04 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.12 1q38 s ILE 58 Cb -0.13 -2.30 0.10 0.00 0.01 0.00 0.00 42.46 40.14 1q38 s ILE 58 CO 0.02 0.50 0.78 0.00 0.00 0.00 0.00 174.94 176.24 1q38 n GLN 59 N 3.86 0.51 0.21 2.79 1.13 -0.07 -2.46 117.38 123.35 1q38 n GLN 59 Ca -0.18 -2.85 0.15 0.00 -1.94 0.00 0.00 57.00 52.18 1q38 n GLN 59 Cb 0.52 -0.29 0.67 0.00 0.11 0.00 0.00 30.24 31.25 1q38 n GLN 59 CO 0.00 0.00 0.00 -0.56 -1.44 0.00 0.00 177.06 175.06 1q38 h GLN 60 N 0.00 0.00 -0.01 -1.09 3.07 -1.96 -1.03 115.11 114.08 1q38 h GLN 60 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.48 1q38 h GLN 60 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.72 1q38 h GLN 60 CO 0.36 0.00 -0.42 0.98 0.09 0.00 0.00 178.83 179.84 1q38 n TYR 61 N -2.59 0.00 0.00 0.06 9.36 -1.26 -5.08 117.16 117.65 1q38 n TYR 61 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1q38 n TYR 61 Cb 0.18 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.89 1q38 n TYR 61 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1q38 n GLY 62 N 1.28 2.49 3.77 2.98 0.00 -0.39 -5.06 105.19 110.26 1q38 n GLY 62 Ca 0.08 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 1q38 n GLY 62 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1q38 s HIS 63 N -1.88 2.75 0.00 1.61 -3.43 -1.26 -0.89 115.29 112.19 1q38 s HIS 63 Ca 0.00 1.17 0.00 0.00 -0.80 0.00 0.00 55.06 55.43 1q38 s HIS 63 Cb 0.00 -3.93 0.00 0.00 -1.43 0.00 0.00 32.58 27.22 1q38 s HIS 63 CO 0.00 -2.77 0.35 1.04 -2.00 0.00 0.00 174.74 171.36 1q38 n GLN 64 N 0.89 0.00 -3.61 -0.38 1.13 -0.48 -4.87 117.38 110.07 1q38 n GLN 64 Ca 0.02 -0.35 -0.20 0.00 -1.94 0.00 0.00 57.00 54.53 1q38 n GLN 64 Cb 0.40 -0.36 -0.15 0.00 0.11 0.00 0.00 30.24 30.24 1q38 n GLN 64 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1q38 s GLU 65 N 0.00 0.07 -0.04 -1.09 2.12 -1.19 -4.98 118.70 113.58 1q38 s GLU 65 Ca 0.00 0.30 -0.00 0.00 0.36 0.00 0.00 54.97 55.63 1q38 s GLU 65 Cb 0.00 -0.92 0.03 0.00 0.26 0.00 0.00 34.13 33.50 1q38 s GLU 65 CO 0.00 -0.49 0.00 0.54 -0.54 0.00 0.00 175.26 174.77 1q38 s VAL 66 N 2.25 0.22 -0.03 3.70 0.11 -1.19 0.30 120.40 125.76 1q38 s VAL 66 Ca 0.04 0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.21 1q38 s VAL 66 Cb -0.14 -0.34 0.02 0.00 -1.53 0.00 0.00 36.38 34.39 1q38 s VAL 66 CO -0.08 0.18 -0.01 -0.89 -3.33 0.00 0.00 175.10 170.97 1q38 s THR 67 N 1.34 0.24 -0.20 5.04 2.01 -0.38 -4.93 115.64 118.76 1q38 s THR 67 Ca -0.05 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 61.92 1q38 s THR 67 Cb -0.13 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 72.04 1q38 s THR 67 CO -0.02 0.15 0.01 -0.13 -0.69 0.00 0.00 174.62 173.94 1q38 s ARG 68 N 0.87 3.68 -0.22 4.92 0.52 -1.26 -0.42 118.95 127.04 1q38 s ARG 68 Ca -0.09 -0.49 -0.15 0.00 -0.52 0.00 0.00 55.73 54.48 1q38 s ARG 68 Cb -0.12 -3.11 0.06 0.00 0.52 0.00 0.00 34.95 32.30 1q38 s ARG 68 CO -0.01 0.05 0.56 -0.59 0.02 0.00 0.00 175.30 175.33 1q38 s PHE 69 N 0.91 -0.75 -0.01 -0.53 -0.71 -0.80 -5.04 117.98 111.05 1q38 s PHE 69 Ca 0.02 1.64 -0.12 0.00 -1.04 0.00 0.00 56.93 57.42 1q38 s PHE 69 Cb -0.14 0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 41.97 1q38 s PHE 69 CO 0.02 -0.38 0.35 0.16 -1.34 0.00 0.00 175.22 174.03 1q38 s ASP 70 N 1.05 6.69 -0.03 1.98 1.47 -1.26 -2.15 116.67 124.42 1q38 s ASP 70 Ca -0.06 0.83 -0.05 0.00 1.18 0.00 0.00 52.55 54.45 1q38 s ASP 70 Cb -0.06 -2.20 0.01 0.00 -0.34 0.00 0.00 42.92 40.33 1q38 s ASP 70 CO -0.10 0.32 0.12 0.72 0.68 0.00 0.00 175.17 176.91 1q38 s PHE 71 N -1.12 -0.07 -0.15 2.11 -0.71 -0.72 -4.96 117.98 112.36 1q38 s PHE 71 Ca 0.23 0.17 -0.06 0.00 -1.04 0.00 0.00 56.93 56.23 1q38 s PHE 71 Cb -0.15 0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.63 1q38 s PHE 71 CO 0.12 -0.12 0.07 0.95 -1.34 0.00 0.00 175.22 174.90 1q38 s THR 72 N -0.35 4.90 0.50 -4.49 -4.23 -1.26 -0.51 115.64 110.20 1q38 s THR 72 Ca -0.04 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 1q38 s THR 72 Cb -0.03 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1q38 s THR 72 CO 0.00 0.53 0.00 0.41 -0.54 0.00 0.00 174.62 175.02 1q38 n THR 73 N 2.88 -4.13 -0.45 3.99 -1.04 -0.53 -4.95 114.28 110.04 1q38 n THR 73 Ca -0.18 1.89 0.00 0.00 -2.04 0.00 0.00 64.05 63.73 1q38 n THR 73 Cb 0.53 -2.75 0.00 0.00 -1.82 0.00 0.00 70.33 66.30 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 -1.49 0.00 -1.35 12.58 5.66 -1.26 -4.99 114.28 123.43 1q38 n THR 74 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1q38 n THR 74 Cb 0.16 0.19 0.20 0.00 -1.55 0.00 0.00 70.33 69.33 1q38 n THR 74 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1q38 s SER 75 N 0.00 1.98 0.00 1.09 1.04 -1.26 -4.83 113.70 111.72 1q38 s SER 75 Ca 0.00 0.66 0.01 0.00 0.48 0.00 0.00 55.95 57.10 1q38 s SER 75 Cb 0.00 -0.96 0.03 0.00 0.10 0.00 0.00 66.02 65.19 1q38 s SER 75 CO 0.00 -3.47 0.89 1.07 0.98 0.00 0.00 173.24 172.71 1q38 n THR 76 N -4.33 0.71 -2.93 2.02 5.66 -1.26 -4.98 114.28 109.18 1q38 n THR 76 Ca 0.12 -0.85 -0.10 0.00 -3.05 0.00 0.00 64.05 60.16 1q38 n THR 76 Cb 0.59 0.65 0.01 0.00 -1.55 0.00 0.00 70.33 70.04 1q38 n THR 76 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1q38 n SER 77 N -0.24 -7.59 -3.40 1.09 2.88 -1.26 -5.03 113.62 100.05 1q38 n SER 77 Ca 0.01 0.63 -0.20 0.00 -1.33 0.00 0.00 58.87 57.99 1q38 n SER 77 Cb 0.20 -4.72 -0.10 0.00 -0.75 0.00 0.00 64.21 58.85 1q38 n SER 77 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1q38 s THR 78 N -2.18 -0.28 0.82 2.46 2.01 -1.26 -5.15 115.64 112.07 1q38 s THR 78 Ca 0.20 -0.86 -0.11 0.00 0.31 0.00 0.00 61.69 61.23 1q38 s THR 78 Cb -0.05 -0.88 0.09 0.00 0.01 0.00 0.00 72.50 71.66 1q38 s THR 78 CO 0.75 -0.60 1.09 -2.84 -0.69 0.00 0.00 174.62 172.33 1q38 s PRO 79 N 1.82 1.85 0.00 4.92 0.02 -1.26 -4.88 135.00 137.47 1q38 s PRO 79 Ca 0.13 0.89 0.00 0.00 0.02 0.00 0.00 61.00 62.05 1q38 s PRO 79 Cb -0.16 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.49 1q38 s PRO 79 CO -0.18 -1.85 0.00 0.41 -0.33 0.00 0.00 177.00 175.06 1q38 n GLY 80 N -1.42 0.09 3.45 0.52 0.00 -1.26 -5.15 105.19 101.41 1q38 n GLY 80 Ca 0.08 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1q38 n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q38 s SER 81 N 0.00 3.46 0.00 1.61 1.04 -1.26 -5.05 113.70 113.50 1q38 s SER 81 Ca 0.00 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1q38 s SER 81 Cb 0.00 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.85 1q38 s SER 81 CO 0.00 0.05 0.00 -2.11 0.98 0.00 0.00 173.24 172.16 1q38 n ARG 82 N -0.35 2.07 -2.13 4.02 0.00 -1.26 -5.04 116.66 113.96 1q38 n ARG 82 Ca -0.07 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.38 1q38 n ARG 82 Cb 0.59 -0.97 -0.01 0.00 -0.00 0.00 0.00 32.46 32.07 1q38 n ARG 82 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1q38 s SER 83 N -3.34 6.48 -0.37 2.89 1.04 -1.26 -5.01 113.70 114.13 1q38 s SER 83 Ca 0.00 2.58 0.02 0.00 0.48 0.00 0.00 55.95 59.03 1q38 s SER 83 Cb 0.00 -2.63 0.15 0.00 0.10 0.00 0.00 66.02 63.64 1q38 s SER 83 CO 0.00 -0.72 0.31 -2.28 0.98 0.00 0.00 173.24 171.52 1q38 s HIS 84 N -1.27 0.24 -0.30 5.02 2.46 -1.26 -5.01 115.29 115.18 1q38 s HIS 84 Ca 0.55 -1.30 -0.12 0.00 0.47 0.00 0.00 55.06 54.66 1q38 s HIS 84 Cb -0.37 -0.65 0.02 0.00 -0.13 0.00 0.00 32.58 31.45 1q38 s HIS 84 CO 0.47 -0.90 0.29 1.58 -2.47 0.00 0.00 174.74 173.71 1q38 n HIS 85 N 4.01 -2.72 0.00 3.88 -0.00 -1.26 -5.01 115.22 114.11 1q38 n HIS 85 Ca 0.13 1.16 0.00 0.00 0.46 0.00 0.00 57.72 59.47 1q38 n HIS 85 Cb 0.42 -2.92 0.00 0.00 -0.12 0.00 0.00 29.99 27.37 1q38 n HIS 85 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1q38 n HIS 86 N 0.40 0.00 -3.60 1.57 -0.00 -1.26 -5.18 115.22 107.15 1q38 n HIS 86 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.66 1q38 n HIS 86 Cb 0.37 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.34 1q38 n HIS 86 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1q38 s HIS 87 N 0.00 -0.31 -0.18 4.41 -3.43 -1.26 -5.18 115.29 109.34 1q38 s HIS 87 Ca 0.00 0.06 -0.26 0.00 -0.80 0.00 0.00 55.06 54.07 1q38 s HIS 87 Cb 0.00 0.59 0.07 0.00 -1.43 0.00 0.00 32.58 31.81 1q38 s HIS 87 CO 0.00 -0.79 0.67 -3.38 -2.00 0.00 0.00 174.74 169.25 1q38 s HIS 88 N -3.42 -0.71 0.00 0.38 -0.00 -1.26 -5.14 115.29 105.15 1q38 s HIS 88 Ca 0.07 1.57 0.00 0.00 -0.00 0.00 0.00 55.06 56.69 1q38 s HIS 88 Cb -0.02 0.30 0.00 0.00 -0.00 0.00 0.00 32.58 32.86 1q38 s HIS 88 CO -0.05 -0.44 0.00 1.58 -0.00 0.00 0.00 174.74 175.83