#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 0.64 -3.93 2.12 5.12 -1.26 -5.10 116.66 114.25 1q38 n ARG 2 Ca 0.00 -0.32 0.02 0.00 -1.93 0.00 0.00 57.85 55.63 1q38 n ARG 2 Cb 0.00 -0.80 0.01 0.00 -1.16 0.00 0.00 32.46 30.51 1q38 n ARG 2 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1q38 s GLY 3 N -0.18 -0.16 -0.42 -0.13 0.00 -1.26 -5.11 107.32 100.05 1q38 s GLY 3 Ca 0.00 0.12 0.02 0.00 0.00 0.00 0.00 44.72 44.87 1q38 s GLY 3 CO 0.00 4.69 0.28 -0.56 0.00 0.00 0.00 173.10 177.51 1q38 s SER 4 N -3.67 2.78 0.00 1.64 0.01 -1.26 -4.90 113.70 108.31 1q38 s SER 4 Ca 0.27 -2.72 0.00 0.00 1.31 0.00 0.00 55.95 54.81 1q38 s SER 4 Cb 0.00 -0.67 0.00 0.00 0.21 0.00 0.00 66.02 65.57 1q38 s SER 4 CO -0.01 -0.23 0.00 -3.20 0.41 0.00 0.00 173.24 170.21 1q38 n ASN 5 N 3.36 0.15 -4.75 2.44 4.05 -1.26 -5.09 115.26 114.16 1q38 n ASN 5 Ca 0.18 0.00 -0.42 0.00 0.45 0.00 0.00 54.58 54.79 1q38 n ASN 5 Cb 0.40 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.40 1q38 n ASN 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1q38 n ALA 6 N -1.86 2.28 -0.25 5.20 0.00 -1.26 -4.98 120.51 119.64 1q38 n ALA 6 Ca 0.00 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.49 1q38 n ALA 6 Cb 0.03 -2.42 0.30 0.00 0.00 0.00 0.00 19.45 17.36 1q38 n ALA 6 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1q38 s PRO 7 N -1.26 -3.29 -0.56 0.00 0.02 -1.26 -4.99 135.00 123.65 1q38 s PRO 7 Ca 0.59 0.15 -0.03 0.00 0.02 0.00 0.00 61.00 61.74 1q38 s PRO 7 Cb -0.50 -1.33 0.15 0.00 0.02 0.00 0.00 34.50 32.83 1q38 s PRO 7 CO 0.56 -5.11 0.37 -0.65 -0.33 0.00 0.00 177.00 171.84 1q38 s GLN 8 N -5.04 2.40 0.64 5.54 -0.21 -1.26 -4.93 119.66 116.79 1q38 s GLN 8 Ca 0.68 -2.34 0.41 0.00 0.02 0.00 0.00 55.36 54.13 1q38 s GLN 8 Cb -0.13 -3.68 2.17 0.00 1.00 0.00 0.00 33.01 32.37 1q38 s GLN 8 CO 0.58 -1.15 2.29 -1.35 -2.12 0.00 0.00 175.29 173.55 1q38 h PRO 9 N 7.29 0.00 -3.06 2.91 0.11 -2.05 -3.41 132.00 133.79 1q38 h PRO 9 Ca -0.05 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.90 1q38 h PRO 9 Cb 0.98 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 31.82 1q38 h PRO 9 CO 0.71 0.01 -0.42 -1.54 -0.21 0.00 0.00 178.00 176.55 1q38 s SER 10 N -5.39 -0.28 0.30 -2.05 1.04 -1.26 -5.16 113.70 100.90 1q38 s SER 10 Ca -0.04 0.54 -0.19 0.00 0.48 0.00 0.00 55.95 56.75 1q38 s SER 10 Cb 0.13 0.52 -0.09 0.00 0.10 0.00 0.00 66.02 66.68 1q38 s SER 10 CO 0.45 -0.11 0.79 -1.00 0.98 0.00 0.00 173.24 174.35 1q38 s HIS 11 N 0.40 3.50 0.42 5.02 0.09 -1.26 -5.04 115.29 118.43 1q38 s HIS 11 Ca -0.02 1.41 -0.25 0.00 -0.00 0.00 0.00 55.06 56.20 1q38 s HIS 11 Cb -0.04 -2.66 -0.08 0.00 -0.00 0.00 0.00 32.58 29.80 1q38 s HIS 11 CO -0.02 0.16 1.24 -1.50 -0.00 0.00 0.00 174.74 174.62 1q38 s ILE 12 N -1.80 2.84 0.13 0.60 -1.16 -1.26 -4.94 121.20 115.60 1q38 s ILE 12 Ca 0.51 0.70 -0.30 0.00 -0.51 0.00 0.00 60.65 61.05 1q38 s ILE 12 Cb -0.13 -3.40 -0.07 0.00 0.61 0.00 0.00 42.46 39.47 1q38 s ILE 12 CO 0.19 0.07 1.58 0.28 -2.81 0.00 0.00 174.94 174.24 1q38 h SER 13 N 2.47 -1.41 -4.41 4.50 0.02 -1.95 -3.32 113.55 109.46 1q38 h SER 13 Ca -0.49 0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.57 1q38 h SER 13 Cb 1.25 0.57 -0.21 0.00 0.14 0.00 0.00 62.40 64.14 1q38 h SER 13 CO 0.62 -0.44 0.03 -1.59 -1.14 0.00 0.00 176.83 174.30 1q38 s LYS 14 N -5.85 0.82 -0.10 3.45 -2.85 -1.07 -4.32 119.74 109.81 1q38 s LYS 14 Ca -0.15 0.54 -0.01 0.00 -1.00 0.00 0.00 55.97 55.34 1q38 s LYS 14 Cb 0.09 0.39 -0.03 0.00 -2.06 0.00 0.00 37.83 36.22 1q38 s LYS 14 CO 0.64 -0.17 -0.04 0.71 0.10 0.00 0.00 175.35 176.59 1q38 s TYR 15 N -0.35 3.03 -0.14 1.78 2.02 -1.04 -0.94 117.35 121.72 1q38 s TYR 15 Ca -0.05 -0.03 -0.01 0.00 -0.37 0.00 0.00 57.07 56.61 1q38 s TYR 15 Cb -0.03 -1.82 -0.02 0.00 -0.40 0.00 0.00 41.96 39.70 1q38 s TYR 15 CO 0.04 0.25 -0.12 0.42 -1.57 0.00 0.00 175.55 174.58 1q38 s ILE 16 N -0.44 3.17 -0.28 2.71 -1.09 0.29 -0.34 121.20 125.22 1q38 s ILE 16 Ca 0.07 -0.62 -0.05 0.00 -2.23 0.00 0.00 60.65 57.82 1q38 s ILE 16 Cb -0.12 -2.34 0.02 0.00 -1.58 0.00 0.00 42.46 38.43 1q38 s ILE 16 CO 0.02 0.52 0.03 -0.22 -1.23 0.00 0.00 174.94 174.06 1q38 s LEU 17 N 0.39 3.63 -0.09 2.97 0.20 -0.03 -0.80 118.68 124.95 1q38 s LEU 17 Ca -0.09 -0.77 0.03 0.00 0.69 0.00 0.00 54.13 53.99 1q38 s LEU 17 Cb -0.16 -1.81 0.01 0.00 -0.43 0.00 0.00 46.19 43.81 1q38 s LEU 17 CO 0.05 -0.17 -0.18 0.00 -0.29 0.00 0.00 176.35 175.76 1q38 s ARG 18 N 1.44 2.42 0.12 1.98 1.70 -0.96 -1.34 118.95 124.32 1q38 s ARG 18 Ca 0.02 -0.66 -0.13 0.00 -0.47 0.00 0.00 55.73 54.49 1q38 s ARG 18 Cb -0.17 -1.90 0.02 0.00 -0.57 0.00 0.00 34.95 32.33 1q38 s ARG 18 CO 0.00 0.09 0.33 1.67 -1.08 0.00 0.00 175.30 176.31 1q38 s TRP 19 N 0.54 -0.03 0.17 5.89 -2.14 -1.08 -0.48 118.94 121.81 1q38 s TRP 19 Ca -0.16 -0.33 -0.22 0.00 2.66 0.00 0.00 56.10 58.05 1q38 s TRP 19 Cb -0.17 0.13 0.06 0.00 -3.10 0.00 0.00 33.47 30.40 1q38 s TRP 19 CO 0.06 -0.66 0.60 -0.98 -2.66 0.00 0.00 176.95 173.31 1q38 s ARG 20 N -3.84 1.33 -0.24 3.25 1.70 -0.21 -1.46 118.95 119.48 1q38 s ARG 20 Ca 0.05 -0.56 -0.30 0.00 -0.47 0.00 0.00 55.73 54.45 1q38 s ARG 20 Cb 0.03 0.58 -0.07 0.00 -0.57 0.00 0.00 34.95 34.92 1q38 s ARG 20 CO -0.10 -0.58 2.21 -0.35 -1.08 0.00 0.00 175.30 175.39 1q38 n PRO 21 N -0.38 1.79 -0.04 3.89 -0.04 -1.26 -1.66 135.00 137.30 1q38 n PRO 21 Ca -0.15 0.49 -0.11 0.00 -0.04 0.00 0.00 63.50 63.69 1q38 n PRO 21 Cb 0.64 -3.06 -0.05 0.00 -0.04 0.00 0.00 33.50 30.99 1q38 n PRO 21 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1q38 h LYS 22 N 14.36 0.24 0.05 0.54 3.64 -1.43 -3.34 116.57 130.63 1q38 h LYS 22 Ca -0.38 -0.04 -0.37 0.00 -1.27 0.00 0.00 60.65 58.58 1q38 h LYS 22 Cb 1.26 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.99 1q38 h LYS 22 CO 0.97 0.30 -2.25 0.09 -2.27 0.00 0.00 179.45 176.29 1q38 n ASN 23 N -4.88 1.86 -4.06 4.20 3.02 -1.26 -4.99 115.26 109.16 1q38 n ASN 23 Ca -0.04 0.03 -0.27 0.00 -0.03 0.00 0.00 54.58 54.27 1q38 n ASN 23 Cb 0.11 -0.48 0.17 0.00 -0.61 0.00 0.00 39.78 38.96 1q38 n ASN 23 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1q38 n SER 24 N -3.31 0.49 -4.89 6.41 2.88 -1.25 -5.08 113.62 108.87 1q38 n SER 24 Ca -0.38 -1.68 -0.35 0.00 -1.33 0.00 0.00 58.87 55.13 1q38 n SER 24 Cb 1.03 -0.88 -0.05 0.00 -0.75 0.00 0.00 64.21 63.56 1q38 n SER 24 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1q38 s VAL 25 N -3.57 5.45 -0.99 2.46 0.11 -1.26 -4.62 120.40 117.97 1q38 s VAL 25 Ca 0.71 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.79 1q38 s VAL 25 Cb -0.02 -3.49 0.00 0.00 -1.53 0.00 0.00 36.38 31.34 1q38 s VAL 25 CO 0.49 0.45 0.00 0.61 -3.33 0.00 0.00 175.10 173.32 1q38 n GLY 26 N 1.40 -0.65 3.21 6.54 0.00 -1.26 -4.87 105.19 109.55 1q38 n GLY 26 Ca -0.15 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.40 0.99 0.75 1.61 0.52 -1.26 -4.94 118.95 116.22 1q38 s ARG 27 Ca 0.00 -1.45 -0.13 0.00 -0.52 0.00 0.00 55.73 53.63 1q38 s ARG 27 Cb 0.00 -0.19 0.05 0.00 0.52 0.00 0.00 34.95 35.33 1q38 s ARG 27 CO 0.00 -0.10 1.13 -1.58 0.02 0.00 0.00 175.30 174.77 1q38 s TRP 28 N -3.69 2.34 -0.02 -0.53 0.52 -1.26 -4.57 118.94 111.73 1q38 s TRP 28 Ca 0.19 1.60 0.03 0.00 0.02 0.00 0.00 56.10 57.94 1q38 s TRP 28 Cb 0.06 -3.22 0.00 0.00 -1.15 0.00 0.00 33.47 29.16 1q38 s TRP 28 CO 0.00 -2.08 -0.09 0.15 0.02 0.00 0.00 176.95 174.95 1q38 s LYS 29 N -4.40 0.96 -0.12 4.98 -0.14 -0.53 -4.94 119.74 115.55 1q38 s LYS 29 Ca 0.67 -0.31 0.03 0.00 -1.36 0.00 0.00 55.97 54.99 1q38 s LYS 29 Cb -0.21 -0.90 0.01 0.00 -1.68 0.00 0.00 37.83 35.04 1q38 s LYS 29 CO 0.49 0.12 -0.23 -1.21 -0.76 0.00 0.00 175.35 173.77 1q38 s GLU 30 N 0.16 3.04 -0.16 1.68 8.01 -1.25 -2.63 118.70 127.54 1q38 s GLU 30 Ca -0.03 -0.86 -0.04 0.00 0.01 0.00 0.00 54.97 54.05 1q38 s GLU 30 Cb -0.08 -2.38 0.06 0.00 -4.31 0.00 0.00 34.13 27.42 1q38 s GLU 30 CO 0.00 0.07 0.12 0.00 0.01 0.00 0.00 175.26 175.47 1q38 s ALA 31 N 0.61 0.20 -0.04 5.21 0.00 -0.45 -4.96 121.76 122.34 1q38 s ALA 31 Ca -0.12 -0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.60 1q38 s ALA 31 Cb -0.17 -1.04 -0.05 0.00 0.00 0.00 0.00 23.12 21.86 1q38 s ALA 31 CO 0.03 -1.07 0.49 0.99 0.00 0.00 0.00 175.76 176.19 1q38 s THR 32 N 2.20 5.03 -0.27 0.00 2.01 -1.26 -0.85 115.64 122.51 1q38 s THR 32 Ca 0.04 1.00 0.02 0.00 0.31 0.00 0.00 61.69 63.05 1q38 s THR 32 Cb -0.15 -3.81 0.07 0.00 0.01 0.00 0.00 72.50 68.61 1q38 s THR 32 CO -0.09 0.45 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.61 1q38 s ILE 33 N -0.26 1.86 -0.84 1.82 1.01 0.53 -4.94 121.20 120.37 1q38 s ILE 33 Ca 0.26 -1.57 -0.21 0.00 0.00 0.00 0.00 60.65 59.13 1q38 s ILE 33 Cb -0.17 -2.12 -0.19 0.00 0.01 0.00 0.00 42.46 40.00 1q38 s ILE 33 CO 0.13 -0.19 2.28 -2.65 0.00 0.00 0.00 174.94 174.51 1q38 n PRO 34 N 4.52 0.36 -2.58 2.79 -0.02 -1.26 -2.50 135.00 136.31 1q38 n PRO 34 Ca -0.10 -0.72 -0.09 0.00 -2.02 0.00 0.00 63.50 60.58 1q38 n PRO 34 Cb 0.43 -3.02 -0.00 0.00 -0.02 0.00 0.00 33.50 30.89 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 6.36 -0.50 3.25 -1.23 0.00 -1.25 -2.41 105.19 109.42 1q38 n GLY 35 Ca 0.49 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 46.42 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 -3.10 -2.81 0.11 1.61 -0.00 -1.18 -4.89 115.22 104.96 1q38 n HIS 36 Ca -0.07 1.11 -0.01 0.00 0.46 0.00 0.00 57.72 59.20 1q38 n HIS 36 Cb 0.56 -3.59 0.24 0.00 -0.12 0.00 0.00 29.99 27.08 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 0.65 0.19 0.00 0.27 -0.00 -1.80 -3.47 115.31 111.16 1q38 h LEU 37 Ca -0.20 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 1q38 h LEU 37 Cb 1.13 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1q38 h LEU 37 CO 0.30 0.60 0.00 -0.46 -0.00 0.00 0.00 178.44 178.87 1q38 n ASN 38 N -4.02 0.00 -4.58 0.17 6.94 -1.26 -5.10 115.26 107.40 1q38 n ASN 38 Ca -0.02 -0.53 -0.42 0.00 -0.02 0.00 0.00 54.58 53.59 1q38 n ASN 38 Cb 0.48 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.87 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1q38 s SER 39 N 0.07 6.29 -0.31 0.53 1.04 -1.26 -4.97 113.70 115.09 1q38 s SER 39 Ca 0.00 0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.74 1q38 s SER 39 Cb 0.00 -2.55 0.09 0.00 0.10 0.00 0.00 66.02 63.66 1q38 s SER 39 CO 0.00 -1.58 0.03 -0.47 0.98 0.00 0.00 173.24 172.19 1q38 s TYR 40 N 5.53 3.23 0.02 5.02 6.14 -1.26 -5.10 117.35 130.93 1q38 s TYR 40 Ca 0.50 -2.59 0.05 0.00 0.64 0.00 0.00 57.07 55.67 1q38 s TYR 40 Cb -0.10 -2.47 -0.02 0.00 0.42 0.00 0.00 41.96 39.80 1q38 s TYR 40 CO 0.26 -0.91 -0.16 -0.08 0.64 0.00 0.00 175.55 175.30 1q38 s THR 41 N 1.09 1.29 -0.31 4.34 -1.32 -1.26 -5.11 115.64 114.36 1q38 s THR 41 Ca 0.07 -0.90 -0.28 0.00 -1.21 0.00 0.00 61.69 59.37 1q38 s THR 41 Cb -0.19 -1.12 0.01 0.00 -1.51 0.00 0.00 72.50 69.70 1q38 s THR 41 CO -0.10 0.20 1.00 -0.63 -2.21 0.00 0.00 174.62 172.87 1q38 s ILE 42 N -0.63 4.60 -0.02 5.08 -1.09 -1.26 -5.02 121.20 122.85 1q38 s ILE 42 Ca 0.05 1.62 0.01 0.00 -2.23 0.00 0.00 60.65 60.10 1q38 s ILE 42 Cb -0.07 -4.34 0.01 0.00 -1.58 0.00 0.00 42.46 36.48 1q38 s ILE 42 CO 0.01 -0.40 -0.03 -0.54 -1.23 0.00 0.00 174.94 172.76 1q38 s LYS 43 N 3.44 0.38 0.00 2.79 1.02 -1.26 -4.87 119.74 121.24 1q38 s LYS 43 Ca 0.42 -0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.35 1q38 s LYS 43 Cb -0.13 -0.45 0.00 0.00 -0.52 0.00 0.00 37.83 36.73 1q38 s LYS 43 CO 0.14 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 1q38 n GLY 44 N 3.56 0.93 0.00 -3.33 0.00 -1.26 -5.15 105.19 99.94 1q38 n GLY 44 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.00 -3.68 0.99 4.77 -1.26 -5.09 117.00 112.73 1q38 n LEU 45 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1q38 n LEU 45 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1q38 n LEU 45 CO 0.00 0.00 -0.12 -0.75 -1.33 0.00 0.00 177.39 175.19 1q38 s LYS 46 N 0.00 0.17 -0.83 3.23 2.47 -1.26 -4.92 119.74 118.59 1q38 s LYS 46 Ca 0.00 0.70 -0.25 0.00 -1.56 0.00 0.00 55.97 54.86 1q38 s LYS 46 Cb 0.00 -0.05 -0.07 0.00 -1.46 0.00 0.00 37.83 36.25 1q38 s LYS 46 CO 0.00 -0.25 2.08 -1.25 0.16 0.00 0.00 175.35 176.09 1q38 s PRO 47 N 2.10 2.28 0.00 4.03 0.04 -1.26 -2.22 135.00 139.98 1q38 s PRO 47 Ca -0.02 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.08 1q38 s PRO 47 Cb -0.12 -4.92 0.00 0.00 0.04 0.00 0.00 34.50 29.51 1q38 s PRO 47 CO -0.09 -3.62 0.00 0.41 0.04 0.00 0.00 177.00 173.74 1q38 n GLY 48 N 6.72 0.31 3.13 0.56 0.00 -1.25 -4.95 105.19 109.72 1q38 n GLY 48 Ca 0.40 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 2.49 0.05 1.61 1.01 -0.94 -5.06 120.40 119.56 1q38 s VAL 49 Ca 0.00 -1.28 -0.30 0.00 0.00 0.00 0.00 61.98 60.39 1q38 s VAL 49 Cb 0.00 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1q38 s VAL 49 CO 0.00 0.13 1.12 -0.69 0.00 0.00 0.00 175.10 175.66 1q38 s VAL 50 N 1.23 4.31 -0.40 2.92 1.01 -1.26 -4.68 120.40 123.52 1q38 s VAL 50 Ca -0.03 1.68 -0.10 0.00 0.00 0.00 0.00 61.98 63.53 1q38 s VAL 50 Cb -0.18 -4.07 0.06 0.00 0.00 0.00 0.00 36.38 32.19 1q38 s VAL 50 CO -0.06 0.14 0.24 -0.31 0.00 0.00 0.00 175.10 175.11 1q38 s TYR 51 N 0.95 3.29 -0.06 5.22 1.51 -1.08 -1.09 117.35 126.09 1q38 s TYR 51 Ca 0.56 -1.27 -0.23 0.00 -1.01 0.00 0.00 57.07 55.11 1q38 s TYR 51 Cb -0.27 -2.74 -0.04 0.00 -0.11 0.00 0.00 41.96 38.81 1q38 s TYR 51 CO 0.29 -0.76 0.70 -2.00 -1.11 0.00 0.00 175.55 172.67 1q38 s GLU 52 N 1.49 4.44 0.10 -0.62 2.56 -0.66 -1.96 118.70 124.04 1q38 s GLU 52 Ca 0.02 0.89 -0.12 0.00 0.00 0.00 0.00 54.97 55.76 1q38 s GLU 52 Cb -0.21 -3.44 0.01 0.00 2.00 0.00 0.00 34.13 32.49 1q38 s GLU 52 CO 0.04 0.08 0.28 0.20 -0.56 0.00 0.00 175.26 175.31 1q38 s GLY 53 N 0.73 -0.07 0.04 -1.50 0.00 -0.21 -1.05 107.32 105.26 1q38 s GLY 53 Ca 0.37 -0.34 0.04 0.00 0.00 0.00 0.00 44.72 44.79 1q38 s GLY 53 CO 0.18 -0.56 -0.11 -0.86 0.00 0.00 0.00 173.10 171.75 1q38 s GLN 54 N -3.75 0.72 -0.44 2.90 -2.07 0.36 -0.36 119.66 117.03 1q38 s GLN 54 Ca 0.03 -0.69 -0.13 0.00 -1.82 0.00 0.00 55.36 52.75 1q38 s GLN 54 Cb 0.03 -0.65 0.06 0.00 -1.09 0.00 0.00 33.01 31.36 1q38 s GLN 54 CO -0.11 0.15 0.33 -1.17 -1.32 0.00 0.00 175.29 173.17 1q38 s LEU 55 N -1.18 5.33 -0.17 2.60 0.20 -0.94 -2.26 118.68 122.26 1q38 s LEU 55 Ca -0.02 -1.26 -0.18 0.00 0.69 0.00 0.00 54.13 53.36 1q38 s LEU 55 Cb -0.08 -2.12 -0.04 0.00 -0.43 0.00 0.00 46.19 43.53 1q38 s LEU 55 CO 0.01 -0.56 0.47 -0.63 -0.29 0.00 0.00 176.35 175.35 1q38 s ILE 56 N 1.59 5.16 -0.01 6.68 1.09 0.02 -3.07 121.20 132.65 1q38 s ILE 56 Ca 0.04 0.89 -0.19 0.00 -1.10 0.00 0.00 60.65 60.28 1q38 s ILE 56 Cb -0.23 -3.80 -0.05 0.00 -1.06 0.00 0.00 42.46 37.32 1q38 s ILE 56 CO 0.06 0.25 0.54 -0.94 -0.10 0.00 0.00 174.94 174.75 1q38 s SER 57 N 0.93 6.91 -0.31 3.58 1.04 0.45 -0.55 113.70 125.75 1q38 s SER 57 Ca 0.23 1.08 -0.01 0.00 0.48 0.00 0.00 55.95 57.73 1q38 s SER 57 Cb -0.15 -2.33 0.06 0.00 0.10 0.00 0.00 66.02 63.69 1q38 s SER 57 CO 0.09 0.14 0.01 -0.63 0.98 0.00 0.00 173.24 173.83 1q38 s ILE 58 N -0.31 2.95 0.30 -1.02 1.01 -0.11 0.07 121.20 124.09 1q38 s ILE 58 Ca 0.29 -1.46 0.05 0.00 0.00 0.00 0.00 60.65 59.52 1q38 s ILE 58 Cb -0.18 -2.73 0.05 0.00 0.01 0.00 0.00 42.46 39.62 1q38 s ILE 58 CO 0.16 -0.15 0.40 0.00 0.00 0.00 0.00 174.94 175.34 1q38 n GLN 59 N 4.60 0.82 0.15 2.79 1.13 0.45 -2.61 117.38 124.71 1q38 n GLN 59 Ca -0.12 -1.67 0.11 0.00 -1.94 0.00 0.00 57.00 53.38 1q38 n GLN 59 Cb 0.43 -0.09 0.55 0.00 0.11 0.00 0.00 30.24 31.24 1q38 n GLN 59 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1q38 n GLN 60 N -1.61 0.14 0.00 -1.09 10.64 -1.26 -0.80 117.38 123.40 1q38 n GLN 60 Ca 0.08 0.61 0.09 0.00 -1.83 0.00 0.00 57.00 55.94 1q38 n GLN 60 Cb 0.32 -1.92 -0.01 0.00 -0.86 0.00 0.00 30.24 27.76 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 -2.21 0.00 0.00 2.61 4.01 -1.26 -5.10 117.16 115.21 1q38 n TYR 61 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1q38 n TYR 61 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 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 1.28 0.00 3.77 2.72 0.00 0.02 -5.02 105.19 107.97 1q38 n GLY 62 Ca 0.07 -2.06 -0.40 0.00 0.00 0.00 0.00 46.02 43.63 1q38 n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1q38 s HIS 63 N 0.00 2.65 0.34 1.61 3.76 -1.25 -0.41 115.29 121.98 1q38 s HIS 63 Ca 0.00 1.27 0.00 0.00 -0.15 0.00 0.00 55.06 56.18 1q38 s HIS 63 Cb 0.00 -3.89 0.00 0.00 1.11 0.00 0.00 32.58 29.80 1q38 s HIS 63 CO 0.00 -2.67 0.00 1.04 -0.85 0.00 0.00 174.74 172.26 1q38 n GLN 64 N 0.26 0.00 -3.53 1.40 1.13 0.11 -4.88 117.38 111.88 1q38 n GLN 64 Ca 0.02 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.68 1q38 n GLN 64 Cb 0.41 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.65 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 -2.00 3.36 -0.03 -1.09 2.12 -1.25 -4.85 118.70 114.97 1q38 s GLU 65 Ca 0.00 -0.74 0.01 0.00 0.36 0.00 0.00 54.97 54.60 1q38 s GLU 65 Cb 0.00 -3.82 0.02 0.00 0.26 0.00 0.00 34.13 30.59 1q38 s GLU 65 CO 0.00 -0.51 -0.03 0.54 -0.54 0.00 0.00 175.26 174.72 1q38 s VAL 66 N 1.70 0.36 -0.04 3.70 0.11 -1.22 0.17 120.40 125.18 1q38 s VAL 66 Ca 0.06 -0.06 -0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1q38 s VAL 66 Cb -0.18 -0.39 0.03 0.00 -1.53 0.00 0.00 36.38 34.31 1q38 s VAL 66 CO 0.10 0.17 0.01 -0.89 -3.33 0.00 0.00 175.10 171.15 1q38 s THR 67 N 0.72 0.21 0.20 5.04 2.01 -1.17 -4.92 115.64 117.72 1q38 s THR 67 Ca -0.08 0.14 -0.23 0.00 0.31 0.00 0.00 61.69 61.84 1q38 s THR 67 Cb -0.11 -0.35 -0.08 0.00 0.01 0.00 0.00 72.50 71.97 1q38 s THR 67 CO -0.01 0.19 0.76 -0.13 -0.69 0.00 0.00 174.62 174.74 1q38 s ARG 68 N 1.50 4.42 0.13 4.92 0.52 -1.26 -2.22 118.95 126.95 1q38 s ARG 68 Ca -0.03 1.03 -0.19 0.00 -0.52 0.00 0.00 55.73 56.02 1q38 s ARG 68 Cb -0.13 -3.06 0.05 0.00 0.52 0.00 0.00 34.95 32.33 1q38 s ARG 68 CO -0.03 0.47 0.48 -0.59 0.02 0.00 0.00 175.30 175.66 1q38 s PHE 69 N -1.35 -0.34 -0.11 -0.53 -0.12 0.52 -4.97 117.98 111.07 1q38 s PHE 69 Ca 0.40 0.11 -0.02 0.00 -0.05 0.00 0.00 56.93 57.37 1q38 s PHE 69 Cb -0.20 0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 42.53 1q38 s PHE 69 CO 0.23 -0.74 -0.05 0.16 -0.05 0.00 0.00 175.22 174.78 1q38 s ASP 70 N -2.68 4.78 -0.14 1.98 -4.77 -1.26 -1.04 116.67 113.54 1q38 s ASP 70 Ca 0.01 -0.05 -0.15 0.00 -3.30 0.00 0.00 52.55 49.06 1q38 s ASP 70 Cb 0.01 -1.49 0.04 0.00 -1.09 0.00 0.00 42.92 40.39 1q38 s ASP 70 CO -0.11 0.28 0.41 0.72 0.70 0.00 0.00 175.17 177.17 1q38 s PHE 71 N -0.30 -0.44 0.21 2.11 -0.71 -0.83 -5.01 117.98 113.02 1q38 s PHE 71 Ca 0.05 1.03 -0.13 0.00 -1.04 0.00 0.00 56.93 56.84 1q38 s PHE 71 Cb -0.13 0.16 0.00 0.00 -1.21 0.00 0.00 43.02 41.84 1q38 s PHE 71 CO 0.02 -0.25 0.43 0.99 -1.34 0.00 0.00 175.22 175.08 1q38 s THR 72 N 0.03 0.03 -1.26 -4.49 2.01 -1.26 -2.64 115.64 108.05 1q38 s THR 72 Ca -0.02 -1.23 -0.14 0.00 0.31 0.00 0.00 61.69 60.61 1q38 s THR 72 Cb -0.03 -1.92 0.13 0.00 0.01 0.00 0.00 72.50 70.69 1q38 s THR 72 CO 0.01 -0.12 1.64 1.07 -0.69 0.00 0.00 174.62 176.53 1q38 n THR 73 N -0.32 4.13 -0.83 -0.82 5.66 -1.26 -4.88 114.28 115.96 1q38 n THR 73 Ca -0.06 -4.39 0.08 0.00 -3.05 0.00 0.00 64.05 56.63 1q38 n THR 73 Cb 0.62 -2.43 -0.04 0.00 -1.55 0.00 0.00 70.33 66.93 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 4.93 -0.77 -2.83 1.09 5.66 -1.26 -4.01 114.28 117.10 1q38 n THR 74 Ca 0.42 0.60 -0.04 0.00 -3.05 0.00 0.00 64.05 61.99 1q38 n THR 74 Cb 0.42 -0.93 0.02 0.00 -1.55 0.00 0.00 70.33 68.29 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 -3.09 -6.50 -3.59 1.09 2.88 -1.26 -4.26 113.62 98.89 1q38 n SER 75 Ca -0.04 -0.21 -0.09 0.00 -1.33 0.00 0.00 58.87 57.20 1q38 n SER 75 Cb 0.37 -4.50 -0.05 0.00 -0.75 0.00 0.00 64.21 59.28 1q38 n SER 75 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1q38 s THR 76 N -3.09 0.00 0.02 2.46 2.01 -1.26 -3.78 115.64 112.00 1q38 s THR 76 Ca 0.11 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1q38 s THR 76 Cb -0.01 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.50 1q38 s THR 76 CO 0.61 0.00 0.00 -0.24 -0.69 0.00 0.00 174.62 174.30 1q38 n SER 77 N 0.73 -5.95 -4.33 3.53 2.88 -1.26 -4.94 113.62 104.29 1q38 n SER 77 Ca -0.08 0.09 -0.17 0.00 -1.33 0.00 0.00 58.87 57.38 1q38 n SER 77 Cb 0.58 -0.27 -0.10 0.00 -0.75 0.00 0.00 64.21 63.67 1q38 n SER 77 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1q38 s THR 78 N -0.14 1.18 -0.21 2.46 -4.23 -1.26 -5.07 115.64 108.37 1q38 s THR 78 Ca 0.00 -2.06 -0.19 0.00 -1.18 0.00 0.00 61.69 58.26 1q38 s THR 78 Cb 0.00 -2.24 -0.08 0.00 1.34 0.00 0.00 72.50 71.51 1q38 s THR 78 CO 0.00 -0.42 0.82 -2.65 -0.54 0.00 0.00 174.62 171.83 1q38 n PRO 79 N -0.39 0.00 0.00 3.99 -0.02 -1.26 -4.59 135.00 132.73 1q38 n PRO 79 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1q38 n PRO 79 Cb 0.63 -0.64 0.00 0.00 -0.02 0.00 0.00 33.50 33.47 1q38 n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q38 n GLY 80 N 2.59 0.64 3.75 -1.23 0.00 -1.26 -5.13 105.19 104.55 1q38 n GLY 80 Ca 0.19 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1q38 n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q38 s SER 81 N 0.00 6.94 0.00 1.61 0.01 -1.26 -4.94 113.70 116.06 1q38 s SER 81 Ca 0.00 1.13 0.23 0.00 1.31 0.00 0.00 55.95 58.62 1q38 s SER 81 Cb 0.00 -2.36 1.31 0.00 0.21 0.00 0.00 66.02 65.17 1q38 s SER 81 CO 0.00 0.05 1.76 0.54 0.41 0.00 0.00 173.24 176.00 1q38 n ARG 82 N 3.03 0.58 -3.35 12.44 1.74 -1.26 -4.80 116.66 125.04 1q38 n ARG 82 Ca -0.06 0.03 -0.13 0.00 -0.77 0.00 0.00 57.85 56.92 1q38 n ARG 82 Cb 0.51 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.41 1q38 n ARG 82 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1q38 n SER 83 N -1.11 0.52 -4.06 0.55 7.64 -1.26 -5.14 113.62 110.76 1q38 n SER 83 Ca 0.15 -2.26 -0.32 0.00 1.01 0.00 0.00 58.87 57.46 1q38 n SER 83 Cb 0.12 0.74 -0.15 0.00 -1.01 0.00 0.00 64.21 63.90 1q38 n SER 83 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1q38 s HIS 84 N -2.56 3.20 0.00 1.43 0.09 -1.26 -4.92 115.29 111.27 1q38 s HIS 84 Ca 0.16 -2.28 0.13 0.00 -0.00 0.00 0.00 55.06 53.07 1q38 s HIS 84 Cb 0.01 -1.91 0.21 0.00 -0.00 0.00 0.00 32.58 30.89 1q38 s HIS 84 CO 0.11 -0.87 1.07 -2.39 -0.00 0.00 0.00 174.74 172.66 1q38 n HIS 85 N 4.45 0.00 0.23 1.40 1.44 -1.26 -4.87 115.22 116.61 1q38 n HIS 85 Ca -0.14 -0.48 0.11 0.00 -2.01 0.00 0.00 57.72 55.20 1q38 n HIS 85 Cb 0.42 0.16 -0.11 0.00 0.12 0.00 0.00 29.99 30.59 1q38 n HIS 85 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1q38 n HIS 86 N 0.24 0.17 -4.15 -1.40 8.25 -1.26 -4.99 115.22 112.09 1q38 n HIS 86 Ca -0.10 0.05 -0.10 0.00 -0.26 0.00 0.00 57.72 57.31 1q38 n HIS 86 Cb 0.92 -0.49 -0.10 0.00 1.12 0.00 0.00 29.99 31.44 1q38 n HIS 86 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1q38 s HIS 87 N -3.38 0.93 0.00 4.41 2.46 -1.26 -5.17 115.29 113.28 1q38 s HIS 87 Ca -0.03 -1.25 0.00 0.00 0.47 0.00 0.00 55.06 54.25 1q38 s HIS 87 Cb 0.14 -0.48 0.00 0.00 -0.13 0.00 0.00 32.58 32.11 1q38 s HIS 87 CO 0.87 -0.58 0.00 -2.39 -2.47 0.00 0.00 174.74 170.17 1q38 n HIS 88 N -0.16 -2.97 -0.42 3.88 1.44 -1.26 -5.12 115.22 110.61 1q38 n HIS 88 Ca -0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 1q38 n HIS 88 Cb 0.64 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.75 1q38 n HIS 88 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11