#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 0.91 0.00 0.03 3.00 -1.26 -4.97 116.66 114.38 1q38 n ARG 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1q38 n ARG 2 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 32.46 32.38 1q38 n ARG 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1q38 n GLY 3 N 0.00 0.26 3.53 5.14 0.00 -1.26 -4.99 105.19 107.86 1q38 n GLY 3 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1q38 n GLY 3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q38 n SER 4 N 0.00 4.21 -3.81 1.61 3.41 -1.26 -4.77 113.62 113.00 1q38 n SER 4 Ca 0.00 -2.84 -0.11 0.00 -0.26 0.00 0.00 58.87 55.67 1q38 n SER 4 Cb 0.04 -1.73 -0.08 0.00 -0.26 0.00 0.00 64.21 62.19 1q38 n SER 4 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1q38 s ASN 5 N 4.94 -0.01 -0.58 4.04 3.84 -1.26 -4.54 114.94 121.36 1q38 s ASN 5 Ca 0.58 -0.34 -0.11 0.00 0.21 0.00 0.00 52.86 53.21 1q38 s ASN 5 Cb 0.03 0.32 0.01 0.00 -0.55 0.00 0.00 41.25 41.06 1q38 s ASN 5 CO 0.09 -0.60 0.64 0.00 -2.79 0.00 0.00 177.10 174.45 1q38 n ALA 6 N 0.57 -2.74 -1.65 1.71 0.00 -1.26 -4.84 120.51 112.29 1q38 n ALA 6 Ca -0.18 0.56 -0.43 0.00 0.00 0.00 0.00 53.44 53.38 1q38 n ALA 6 Cb 0.59 -2.58 -0.03 0.00 0.00 0.00 0.00 19.45 17.43 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 -1.02 2.62 -2.89 0.00 -0.02 -1.26 -4.98 135.00 127.44 1q38 n PRO 7 Ca 0.03 0.94 -0.27 0.00 -2.02 0.00 0.00 63.50 62.17 1q38 n PRO 7 Cb 0.51 -2.97 -0.01 0.00 -0.02 0.00 0.00 33.50 31.01 1q38 n PRO 7 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1q38 s GLN 8 N 4.67 3.55 0.00 -0.52 -1.52 -1.26 -5.03 119.66 119.54 1q38 s GLN 8 Ca 0.91 0.07 0.00 0.00 -1.95 0.00 0.00 55.36 54.39 1q38 s GLN 8 Cb -0.47 -2.47 0.00 0.00 -0.22 0.00 0.00 33.01 29.85 1q38 s GLN 8 CO 0.43 -0.07 0.82 -2.30 -0.25 0.00 0.00 175.29 173.92 1q38 n PRO 9 N -1.98 0.00 0.00 2.91 -0.02 -1.26 -4.71 135.00 129.94 1q38 n PRO 9 Ca -0.01 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1q38 n PRO 9 Cb 0.55 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 1q38 n PRO 9 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1q38 n SER 10 N -2.16 0.00 -3.90 2.55 3.41 -1.26 -5.12 113.62 107.13 1q38 n SER 10 Ca 0.00 -0.56 -0.19 0.00 -0.26 0.00 0.00 58.87 57.87 1q38 n SER 10 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1q38 n SER 10 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1q38 s HIS 11 N 0.00 0.63 0.22 7.33 -3.43 -1.26 -4.99 115.29 113.79 1q38 s HIS 11 Ca 0.00 -0.15 -0.03 0.00 -0.80 0.00 0.00 55.06 54.09 1q38 s HIS 11 Cb 0.00 -0.54 -0.05 0.00 -1.43 0.00 0.00 32.58 30.56 1q38 s HIS 11 CO 0.00 -0.13 0.45 -1.50 -2.00 0.00 0.00 174.74 171.55 1q38 s ILE 12 N 0.65 5.14 0.32 -5.38 1.10 -1.26 -4.95 121.20 116.81 1q38 s ILE 12 Ca -0.08 -0.17 0.10 0.00 -0.51 0.00 0.00 60.65 59.99 1q38 s ILE 12 Cb -0.11 -3.72 0.32 0.00 0.15 0.00 0.00 42.46 39.09 1q38 s ILE 12 CO -0.00 -0.20 1.68 0.28 -2.11 0.00 0.00 174.94 174.59 1q38 h SER 13 N 1.99 0.45 -2.93 4.50 0.02 -1.90 -3.26 113.55 112.43 1q38 h SER 13 Ca -0.48 0.17 0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1q38 h SER 13 Cb 1.19 0.13 -0.29 0.00 0.14 0.00 0.00 62.40 63.57 1q38 h SER 13 CO 0.68 -0.06 0.73 -1.59 -1.14 0.00 0.00 176.83 175.45 1q38 s LYS 14 N -5.76 0.27 0.02 3.45 -2.85 -0.97 -4.63 119.74 109.27 1q38 s LYS 14 Ca -0.11 0.21 -0.01 0.00 -1.00 0.00 0.00 55.97 55.07 1q38 s LYS 14 Cb 0.28 0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 36.14 1q38 s LYS 14 CO 0.79 -0.05 0.16 0.71 0.10 0.00 0.00 175.35 177.05 1q38 s TYR 15 N -0.30 3.45 0.08 1.78 2.02 -0.48 -0.29 117.35 123.62 1q38 s TYR 15 Ca 0.05 0.27 0.08 0.00 -0.37 0.00 0.00 57.07 57.10 1q38 s TYR 15 Cb -0.04 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 1q38 s TYR 15 CO -0.09 0.60 -0.15 0.42 -1.57 0.00 0.00 175.55 174.76 1q38 s ILE 16 N -1.35 3.01 -0.24 2.71 -1.09 0.30 -0.70 121.20 123.84 1q38 s ILE 16 Ca 0.29 -1.31 0.01 0.00 -2.23 0.00 0.00 60.65 57.41 1q38 s ILE 16 Cb -0.13 -2.35 0.06 0.00 -1.58 0.00 0.00 42.46 38.46 1q38 s ILE 16 CO 0.20 0.19 -0.04 -0.22 -1.23 0.00 0.00 174.94 173.84 1q38 s LEU 17 N -1.91 2.58 -0.14 2.97 2.96 0.20 -0.97 118.68 124.36 1q38 s LEU 17 Ca 0.18 -1.21 0.02 0.00 -0.22 0.00 0.00 54.13 52.89 1q38 s LEU 17 Cb -0.11 -1.16 0.00 0.00 0.50 0.00 0.00 46.19 45.43 1q38 s LEU 17 CO 0.09 -0.25 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.56 1q38 s ARG 18 N 1.40 3.12 0.09 1.98 0.52 0.19 -0.75 118.95 125.50 1q38 s ARG 18 Ca -0.05 -0.81 -0.21 0.00 -0.52 0.00 0.00 55.73 54.15 1q38 s ARG 18 Cb -0.19 -2.51 0.05 0.00 0.52 0.00 0.00 34.95 32.82 1q38 s ARG 18 CO -0.07 0.03 0.50 1.67 0.02 0.00 0.00 175.30 177.45 1q38 s TRP 19 N 0.75 -0.38 -0.01 -0.53 -2.14 -1.08 0.22 118.94 115.76 1q38 s TRP 19 Ca -0.08 0.29 -0.29 0.00 2.66 0.00 0.00 56.10 58.68 1q38 s TRP 19 Cb -0.16 0.35 0.07 0.00 -3.10 0.00 0.00 33.47 30.64 1q38 s TRP 19 CO 0.00 -0.69 0.66 -0.98 -2.66 0.00 0.00 176.95 173.28 1q38 s ARG 20 N -3.02 1.09 -0.36 3.25 3.03 0.22 -0.65 118.95 122.51 1q38 s ARG 20 Ca -0.02 0.12 -0.32 0.00 2.03 0.00 0.00 55.73 57.54 1q38 s ARG 20 Cb -0.00 0.51 -0.10 0.00 -1.03 0.00 0.00 34.95 34.33 1q38 s ARG 20 CO -0.06 -0.37 2.24 -2.30 -1.13 0.00 0.00 175.30 173.68 1q38 n PRO 21 N 0.69 1.25 -0.04 3.89 -0.02 -1.25 0.54 135.00 140.07 1q38 n PRO 21 Ca -0.19 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1q38 n PRO 21 Cb 0.58 -2.71 0.01 0.00 -0.02 0.00 0.00 33.50 31.36 1q38 n PRO 21 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1q38 n LYS 22 N 8.44 -0.01 -0.13 -0.52 0.00 -0.42 -0.44 118.16 125.07 1q38 n LYS 22 Ca 0.39 0.15 -0.23 0.00 0.00 0.00 0.00 58.31 58.62 1q38 n LYS 22 Cb 0.31 -0.22 -0.11 0.00 0.00 0.00 0.00 35.03 35.01 1q38 n LYS 22 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1q38 n ASN 23 N -4.15 1.98 -3.69 3.14 0.23 -1.26 -4.65 115.26 106.86 1q38 n ASN 23 Ca 0.01 0.06 -0.42 0.00 -0.53 0.00 0.00 54.58 53.71 1q38 n ASN 23 Cb 0.04 -0.57 -0.00 0.00 -2.08 0.00 0.00 39.78 37.17 1q38 n ASN 23 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1q38 n SER 24 N -3.66 5.43 -4.67 0.53 7.64 0.42 -4.97 113.62 114.34 1q38 n SER 24 Ca -0.49 -2.93 -0.49 0.00 1.01 0.00 0.00 58.87 55.97 1q38 n SER 24 Cb 0.94 -1.55 -0.05 0.00 -1.01 0.00 0.00 64.21 62.54 1q38 n SER 24 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1q38 n VAL 25 N 3.91 0.31 -2.89 0.44 3.14 -1.01 -3.76 118.33 118.47 1q38 n VAL 25 Ca 0.53 -0.06 -0.11 0.00 -2.96 0.00 0.00 64.34 61.75 1q38 n VAL 25 Cb 0.34 -1.60 -0.00 0.00 -1.06 0.00 0.00 33.84 31.51 1q38 n VAL 25 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1q38 n GLY 26 N 3.90 0.33 1.59 7.55 0.00 -1.26 -4.97 105.19 112.32 1q38 n GLY 26 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 2.42 -4.23 -0.67 1.61 1.74 -1.26 -4.90 116.66 111.36 1q38 n ARG 27 Ca 0.18 3.07 -0.29 0.00 -0.77 0.00 0.00 57.85 60.04 1q38 n ARG 27 Cb 0.56 -3.29 0.22 0.00 -1.02 0.00 0.00 32.46 28.94 1q38 n ARG 27 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1q38 s TRP 28 N -1.11 1.54 0.12 -1.55 0.52 -1.26 -4.66 118.94 112.53 1q38 s TRP 28 Ca 0.00 1.31 0.07 0.00 0.02 0.00 0.00 56.10 57.50 1q38 s TRP 28 Cb 0.00 -3.16 -0.04 0.00 -1.15 0.00 0.00 33.47 29.12 1q38 s TRP 28 CO 0.00 -3.47 -0.17 0.15 0.02 0.00 0.00 176.95 173.48 1q38 s LYS 29 N -4.57 1.08 -0.09 4.98 -0.14 0.18 -4.85 119.74 116.33 1q38 s LYS 29 Ca 0.67 -1.22 0.01 0.00 -1.36 0.00 0.00 55.97 54.07 1q38 s LYS 29 Cb -0.23 -1.13 0.02 0.00 -1.68 0.00 0.00 37.83 34.81 1q38 s LYS 29 CO 0.62 0.24 -0.10 -1.21 -0.76 0.00 0.00 175.35 174.14 1q38 s GLU 30 N -2.36 1.60 -0.17 1.68 0.41 -1.20 -2.65 118.70 116.02 1q38 s GLU 30 Ca 0.08 -0.32 -0.04 0.00 -0.41 0.00 0.00 54.97 54.28 1q38 s GLU 30 Cb -0.07 -1.51 0.07 0.00 -1.78 0.00 0.00 34.13 30.84 1q38 s GLU 30 CO 0.04 -0.14 0.16 0.00 -0.49 0.00 0.00 175.26 174.83 1q38 s ALA 31 N 1.26 0.00 -0.21 5.21 0.00 0.07 -4.93 121.76 123.16 1q38 s ALA 31 Ca -0.03 0.10 -0.09 0.00 0.00 0.00 0.00 51.96 51.93 1q38 s ALA 31 Cb -0.14 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.81 1q38 s ALA 31 CO -0.03 -1.09 0.11 0.99 0.00 0.00 0.00 175.76 175.74 1q38 s THR 32 N 2.25 5.11 -0.21 0.00 2.01 -1.26 0.60 115.64 124.13 1q38 s THR 32 Ca 0.05 0.09 -0.04 0.00 0.31 0.00 0.00 61.69 62.09 1q38 s THR 32 Cb -0.15 -3.34 0.07 0.00 0.01 0.00 0.00 72.50 69.09 1q38 s THR 32 CO -0.10 0.40 0.09 0.27 -0.69 0.00 0.00 174.62 174.60 1q38 s ILE 33 N 0.72 0.08 -0.33 1.82 -0.00 0.13 -4.93 121.20 118.68 1q38 s ILE 33 Ca 0.06 -0.45 -0.29 0.00 -0.00 0.00 0.00 60.65 59.97 1q38 s ILE 33 Cb -0.13 -0.82 -0.01 0.00 -0.00 0.00 0.00 42.46 41.51 1q38 s ILE 33 CO 0.02 -0.40 1.53 -2.16 -0.00 0.00 0.00 174.94 173.92 1q38 s PRO 34 N 2.05 3.62 -0.28 0.37 0.04 -1.26 -1.38 135.00 138.16 1q38 s PRO 34 Ca 0.04 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1q38 s PRO 34 Cb -0.16 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1q38 s PRO 34 CO -0.17 -1.50 0.00 0.41 0.04 0.00 0.00 177.00 175.78 1q38 n GLY 35 N 4.95 0.32 2.97 0.56 0.00 -1.23 -3.83 105.19 108.92 1q38 n GLY 35 Ca 0.18 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1q38 n GLY 35 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1q38 n HIS 36 N -2.19 -3.10 0.30 1.61 8.25 -1.20 -4.84 115.22 114.06 1q38 n HIS 36 Ca -0.03 1.30 0.17 0.00 -0.26 0.00 0.00 57.72 58.91 1q38 n HIS 36 Cb 0.45 -3.31 0.79 0.00 1.12 0.00 0.00 29.99 29.05 1q38 n HIS 36 CO 0.00 0.00 0.00 1.37 0.64 0.00 0.00 176.34 178.35 1q38 h LEU 37 N 2.53 0.00 0.00 2.41 -0.00 -1.88 -3.45 115.31 114.91 1q38 h LEU 37 Ca -0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.76 1q38 h LEU 37 Cb 0.78 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.44 1q38 h LEU 37 CO 0.15 0.00 0.26 -0.46 -0.00 0.00 0.00 178.44 178.39 1q38 n ASN 38 N -2.82 -2.00 -4.58 0.17 6.94 -1.26 -5.11 115.26 106.59 1q38 n ASN 38 Ca -0.00 -2.37 -0.42 0.00 -0.02 0.00 0.00 54.58 51.77 1q38 n ASN 38 Cb 0.19 3.33 -0.02 0.00 -2.36 0.00 0.00 39.78 40.92 1q38 n ASN 38 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1q38 s SER 39 N -2.84 6.29 -0.47 0.53 0.15 -1.26 -4.98 113.70 111.12 1q38 s SER 39 Ca 0.14 0.23 -0.16 0.00 0.70 0.00 0.00 55.95 56.87 1q38 s SER 39 Cb -0.04 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 61.79 1q38 s SER 39 CO 0.10 -1.59 0.40 -0.47 1.20 0.00 0.00 173.24 172.88 1q38 s TYR 40 N 5.51 3.23 0.06 3.44 6.14 -1.26 -5.06 117.35 129.42 1q38 s TYR 40 Ca 0.48 -0.87 0.09 0.00 0.64 0.00 0.00 57.07 57.41 1q38 s TYR 40 Cb -0.09 -3.13 -0.03 0.00 0.42 0.00 0.00 41.96 39.12 1q38 s TYR 40 CO 0.26 -0.79 -0.24 0.95 0.64 0.00 0.00 175.55 176.37 1q38 s THR 41 N 1.70 1.96 -0.13 4.34 -4.23 -1.26 -5.13 115.64 112.89 1q38 s THR 41 Ca 0.05 -1.40 -0.12 0.00 -1.18 0.00 0.00 61.69 59.04 1q38 s THR 41 Cb -0.23 -1.70 -0.05 0.00 1.34 0.00 0.00 72.50 71.86 1q38 s THR 41 CO 0.07 0.22 0.26 -0.63 -0.54 0.00 0.00 174.62 174.00 1q38 s ILE 42 N -0.88 5.31 -1.15 2.99 1.09 -1.26 -4.97 121.20 122.33 1q38 s ILE 42 Ca 0.10 0.48 0.13 0.00 -1.10 0.00 0.00 60.65 60.26 1q38 s ILE 42 Cb -0.10 -3.57 -0.01 0.00 -1.06 0.00 0.00 42.46 37.72 1q38 s ILE 42 CO 0.03 0.49 0.73 0.29 -0.10 0.00 0.00 174.94 176.37 1q38 n LYS 43 N 2.85 1.93 0.16 2.79 4.76 -1.26 -4.67 118.16 124.73 1q38 n LYS 43 Ca -0.15 -0.67 -0.12 0.00 -2.87 0.00 0.00 58.31 54.50 1q38 n LYS 43 Cb 0.53 -1.17 -0.07 0.00 -1.84 0.00 0.00 35.03 32.48 1q38 n LYS 43 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1q38 h GLY 44 N 2.76 -1.13 -5.91 0.72 0.00 -2.03 -3.41 103.07 94.07 1q38 h GLY 44 Ca 0.00 0.55 -0.64 0.00 0.00 0.00 0.00 47.33 47.23 1q38 h GLY 44 CO 0.00 -0.34 1.12 1.47 0.00 0.00 0.00 176.54 178.80 1q38 n LEU 45 N -4.55 0.62 -4.89 3.11 -0.00 -1.26 -4.91 117.00 105.12 1q38 n LEU 45 Ca -0.07 0.56 -0.24 0.00 -0.00 0.00 0.00 56.01 56.26 1q38 n LEU 45 Cb 0.31 -0.76 -0.04 0.00 -0.00 0.00 0.00 43.42 42.93 1q38 n LEU 45 CO 0.16 -0.65 -0.13 -1.59 -0.00 0.00 0.00 177.39 175.18 1q38 s LYS 46 N 5.13 3.19 -0.71 1.47 0.00 -1.26 -4.53 119.74 123.02 1q38 s LYS 46 Ca 1.02 -0.81 -0.36 0.00 0.00 0.00 0.00 55.97 55.81 1q38 s LYS 46 Cb -1.26 -2.77 -0.19 0.00 0.00 0.00 0.00 37.83 33.61 1q38 s LYS 46 CO 0.55 0.46 2.42 -0.35 0.00 0.00 0.00 175.35 178.43 1q38 n PRO 47 N -0.86 0.18 0.00 1.78 -0.04 -1.26 -0.85 135.00 133.94 1q38 n PRO 47 Ca -0.08 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1q38 n PRO 47 Cb 0.56 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1q38 n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q38 n GLY 48 N 6.86 1.46 3.29 0.55 0.00 -1.26 -5.05 105.19 111.04 1q38 n GLY 48 Ca 0.57 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.65 1.96 -0.16 1.61 0.11 -0.03 -5.05 120.40 117.19 1q38 s VAL 49 Ca 0.00 -1.06 -0.02 0.00 -2.93 0.00 0.00 61.98 57.97 1q38 s VAL 49 Cb 0.00 -1.63 -0.02 0.00 -1.53 0.00 0.00 36.38 33.20 1q38 s VAL 49 CO 0.00 0.55 -0.07 0.54 -3.33 0.00 0.00 175.10 172.79 1q38 s VAL 50 N -0.52 3.52 -0.24 2.04 0.11 -1.26 -4.48 120.40 119.57 1q38 s VAL 50 Ca 0.08 -0.49 -0.06 0.00 -2.93 0.00 0.00 61.98 58.58 1q38 s VAL 50 Cb -0.10 -2.53 -0.02 0.00 -1.53 0.00 0.00 36.38 32.20 1q38 s VAL 50 CO -0.00 0.49 0.04 -0.31 -3.33 0.00 0.00 175.10 171.99 1q38 s TYR 51 N 0.53 3.06 -0.07 1.54 1.51 -0.08 -1.31 117.35 122.53 1q38 s TYR 51 Ca -0.05 -0.54 -0.30 0.00 -1.01 0.00 0.00 57.07 55.18 1q38 s TYR 51 Cb -0.15 -2.20 -0.02 0.00 -0.11 0.00 0.00 41.96 39.48 1q38 s TYR 51 CO 0.03 -0.39 0.99 -2.00 -1.11 0.00 0.00 175.55 173.07 1q38 s GLU 52 N 1.54 4.47 0.16 -0.62 2.12 0.19 -0.60 118.70 125.96 1q38 s GLU 52 Ca 0.06 1.39 0.09 0.00 0.36 0.00 0.00 54.97 56.87 1q38 s GLU 52 Cb -0.15 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.69 1q38 s GLU 52 CO 0.02 -0.22 -0.15 0.20 -0.54 0.00 0.00 175.26 174.57 1q38 s GLY 53 N 1.06 1.72 -0.14 -1.50 0.00 0.68 -0.61 107.32 108.53 1q38 s GLY 53 Ca 0.49 -1.45 -0.01 0.00 0.00 0.00 0.00 44.72 43.75 1q38 s GLY 53 CO 0.21 -1.46 -0.04 1.20 0.00 0.00 0.00 173.10 173.02 1q38 s GLN 54 N -2.53 1.24 -0.46 2.90 -0.21 0.59 -0.73 119.66 120.46 1q38 s GLN 54 Ca 0.21 -0.31 -0.15 0.00 0.02 0.00 0.00 55.36 55.13 1q38 s GLN 54 Cb -0.09 -1.70 0.06 0.00 1.00 0.00 0.00 33.01 32.28 1q38 s GLN 54 CO 0.12 -0.38 0.37 -0.51 -2.12 0.00 0.00 175.29 172.78 1q38 s LEU 55 N 1.74 5.50 -0.30 2.90 1.43 0.66 -0.64 118.68 129.97 1q38 s LEU 55 Ca 0.03 -1.24 -0.06 0.00 -1.03 0.00 0.00 54.13 51.83 1q38 s LEU 55 Cb -0.14 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 43.92 1q38 s LEU 55 CO -0.07 -0.60 0.07 -0.63 0.23 0.00 0.00 176.35 175.34 1q38 s ILE 56 N 1.64 3.79 -0.23 -0.59 1.09 -0.14 -0.96 121.20 125.80 1q38 s ILE 56 Ca 0.04 -0.82 -0.22 0.00 -1.10 0.00 0.00 60.65 58.55 1q38 s ILE 56 Cb -0.23 -2.99 -0.02 0.00 -1.06 0.00 0.00 42.46 38.16 1q38 s ILE 56 CO 0.07 0.04 0.71 -0.44 -0.10 0.00 0.00 174.94 175.23 1q38 s SER 57 N 1.46 6.72 -0.10 3.58 0.01 0.17 0.11 113.70 125.65 1q38 s SER 57 Ca 0.01 0.89 0.01 0.00 1.31 0.00 0.00 55.95 58.17 1q38 s SER 57 Cb -0.18 -2.38 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 1q38 s SER 57 CO 0.02 -0.39 -0.14 -0.63 0.41 0.00 0.00 173.24 172.50 1q38 s ILE 58 N 2.42 2.97 0.33 1.44 1.01 0.60 0.24 121.20 130.20 1q38 s ILE 58 Ca 0.31 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1q38 s ILE 58 Cb -0.16 -2.21 0.06 0.00 0.01 0.00 0.00 42.46 40.16 1q38 s ILE 58 CO 0.09 0.55 0.45 0.00 0.00 0.00 0.00 174.94 176.03 1q38 n GLN 59 N 3.12 0.55 0.00 2.79 6.02 -1.00 -2.28 117.38 126.58 1q38 n GLN 59 Ca -0.18 -1.48 0.03 0.00 -0.01 0.00 0.00 57.00 55.36 1q38 n GLN 59 Cb 0.53 -0.22 0.15 0.00 1.02 0.00 0.00 30.24 31.71 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 -1.77 0.07 -0.13 -1.09 10.64 -1.26 -1.12 117.38 122.71 1q38 n GLN 60 Ca 0.08 0.27 0.10 0.00 -1.83 0.00 0.00 57.00 55.62 1q38 n GLN 60 Cb 0.30 -1.50 0.16 0.00 -0.86 0.00 0.00 30.24 28.34 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 -1.33 0.35 -0.51 2.61 4.01 -1.26 -5.08 117.16 115.95 1q38 n TYR 61 Ca 0.03 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 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 1.22 0.76 3.45 2.72 0.00 -0.28 -4.89 105.19 108.17 1q38 n GLY 62 Ca 0.16 -1.21 -0.45 0.00 0.00 0.00 0.00 46.02 44.51 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 4.48 0.90 -0.05 1.61 8.25 -1.26 -2.39 115.22 126.76 1q38 n HIS 63 Ca 0.00 0.41 -0.12 0.00 -0.26 0.00 0.00 57.72 57.75 1q38 n HIS 63 Cb 0.00 -2.41 -0.04 0.00 1.12 0.00 0.00 29.99 28.66 1q38 n HIS 63 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1q38 n GLN 64 N 8.35 0.27 -3.81 -0.41 -0.06 -1.15 -4.85 117.38 115.72 1q38 n GLN 64 Ca 0.57 0.12 -0.12 0.00 -2.00 0.00 0.00 57.00 55.57 1q38 n GLN 64 Cb 0.11 -0.97 -0.11 0.00 -4.06 0.00 0.00 30.24 25.22 1q38 n GLN 64 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1q38 s GLU 65 N -2.29 0.41 -0.03 3.69 0.41 0.65 -4.51 118.70 117.04 1q38 s GLU 65 Ca -0.17 0.00 0.01 0.00 -0.41 0.00 0.00 54.97 54.40 1q38 s GLU 65 Cb 0.06 0.19 0.02 0.00 -1.78 0.00 0.00 34.13 32.61 1q38 s GLU 65 CO 0.23 -0.09 -0.03 0.54 -0.49 0.00 0.00 175.26 175.42 1q38 s VAL 66 N -0.62 0.38 -0.04 2.63 0.11 -1.26 0.45 120.40 122.05 1q38 s VAL 66 Ca -0.07 -0.07 -0.00 0.00 -2.93 0.00 0.00 61.98 58.91 1q38 s VAL 66 Cb -0.04 -0.41 0.03 0.00 -1.53 0.00 0.00 36.38 34.43 1q38 s VAL 66 CO 0.01 0.17 0.01 -0.89 -3.33 0.00 0.00 175.10 171.08 1q38 s THR 67 N 0.74 0.15 -0.19 5.04 2.01 -0.13 -4.97 115.64 118.29 1q38 s THR 67 Ca -0.09 0.16 -0.03 0.00 0.31 0.00 0.00 61.69 62.05 1q38 s THR 67 Cb -0.12 -0.28 -0.01 0.00 0.01 0.00 0.00 72.50 72.10 1q38 s THR 67 CO -0.01 0.17 -0.07 -0.13 -0.69 0.00 0.00 174.62 173.89 1q38 s ARG 68 N 1.39 3.39 -0.23 4.92 0.52 -1.26 -0.25 118.95 127.43 1q38 s ARG 68 Ca -0.05 -0.64 -0.11 0.00 -0.52 0.00 0.00 55.73 54.41 1q38 s ARG 68 Cb -0.13 -2.87 0.08 0.00 0.52 0.00 0.00 34.95 32.55 1q38 s ARG 68 CO -0.03 -0.04 0.54 -0.06 0.02 0.00 0.00 175.30 175.73 1q38 s PHE 69 N 1.05 -0.90 -0.01 -0.53 0.08 0.09 -5.02 117.98 112.74 1q38 s PHE 69 Ca 0.00 1.76 -0.15 0.00 0.12 0.00 0.00 56.93 58.66 1q38 s PHE 69 Cb -0.15 0.47 -0.06 0.00 -0.57 0.00 0.00 43.02 42.72 1q38 s PHE 69 CO -0.01 -0.47 0.41 0.16 -0.10 0.00 0.00 175.22 175.20 1q38 s ASP 70 N 1.90 6.79 0.08 1.36 1.47 -1.26 -0.23 116.67 126.77 1q38 s ASP 70 Ca -0.08 0.94 -0.07 0.00 1.18 0.00 0.00 52.55 54.52 1q38 s ASP 70 Cb -0.08 -2.25 -0.01 0.00 -0.34 0.00 0.00 42.92 40.24 1q38 s ASP 70 CO -0.16 0.30 0.14 0.72 0.68 0.00 0.00 175.17 176.84 1q38 s PHE 71 N -0.91 0.23 -0.14 2.11 -0.12 0.23 -4.87 117.98 114.51 1q38 s PHE 71 Ca 0.24 -0.67 -0.09 0.00 -0.05 0.00 0.00 56.93 56.36 1q38 s PHE 71 Cb -0.16 -0.13 0.05 0.00 -0.63 0.00 0.00 43.02 42.14 1q38 s PHE 71 CO 0.13 -0.49 0.35 -0.08 -0.05 0.00 0.00 175.22 175.07 1q38 s THR 72 N -3.75 -0.02 -1.76 -4.49 -1.32 -1.26 -0.90 115.64 102.13 1q38 s THR 72 Ca 0.04 0.09 0.14 0.00 -1.21 0.00 0.00 61.69 60.76 1q38 s THR 72 Cb 0.05 -0.51 0.46 0.00 -1.51 0.00 0.00 72.50 70.99 1q38 s THR 72 CO -0.10 0.04 1.36 1.07 -2.21 0.00 0.00 174.62 174.78 1q38 n THR 73 N 3.93 0.86 -0.03 5.08 5.66 -1.26 -3.49 114.28 125.02 1q38 n THR 73 Ca -0.21 -0.71 0.01 0.00 -3.05 0.00 0.00 64.05 60.08 1q38 n THR 73 Cb 0.55 0.23 -0.11 0.00 -1.55 0.00 0.00 70.33 69.45 1q38 n THR 73 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1q38 n THR 74 N 0.88 0.39 -1.38 1.09 -2.24 -1.26 -4.54 114.28 107.22 1q38 n THR 74 Ca 0.17 -0.42 -0.33 0.00 -2.27 0.00 0.00 64.05 61.20 1q38 n THR 74 Cb 0.50 -0.19 0.06 0.00 -2.10 0.00 0.00 70.33 68.60 1q38 n THR 74 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1q38 n SER 75 N -2.21 7.49 0.01 3.42 2.88 -1.23 -4.02 113.62 119.97 1q38 n SER 75 Ca -0.11 -3.69 0.00 0.00 -1.33 0.00 0.00 58.87 53.75 1q38 n SER 75 Cb 0.61 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 1q38 n SER 75 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1q38 n THR 76 N -0.63 0.07 -1.33 2.46 -2.24 -1.26 -5.02 114.28 106.33 1q38 n THR 76 Ca 0.57 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 62.37 1q38 n THR 76 Cb 0.57 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1q38 n THR 76 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1q38 n SER 77 N -2.82 0.00 -2.71 3.42 3.41 -1.26 -5.09 113.62 108.57 1q38 n SER 77 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1q38 n SER 77 Cb 0.21 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.23 1q38 n SER 77 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1q38 n THR 78 N 0.00 0.78 -2.66 6.66 5.66 -1.26 -5.05 114.28 118.40 1q38 n THR 78 Ca 0.00 -2.17 -0.23 0.00 -3.05 0.00 0.00 64.05 58.61 1q38 n THR 78 Cb 0.00 1.18 0.10 0.00 -1.55 0.00 0.00 70.33 70.06 1q38 n THR 78 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1q38 s PRO 79 N -2.30 1.77 0.00 1.09 0.04 -1.26 -5.11 135.00 129.23 1q38 s PRO 79 Ca 0.21 -1.21 0.00 0.00 0.04 0.00 0.00 61.00 60.04 1q38 s PRO 79 Cb 0.36 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1q38 s PRO 79 CO -0.07 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 176.02 1q38 n GLY 80 N -2.74 3.03 7.00 0.56 0.00 -1.26 -4.85 105.19 106.94 1q38 n GLY 80 Ca 0.15 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1q38 n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1q38 n SER 81 N 0.00 -2.87 -0.95 1.61 7.64 -1.26 -4.81 113.62 112.97 1q38 n SER 81 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1q38 n SER 81 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1q38 n SER 81 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1q38 n ARG 82 N -0.45 -1.65 0.00 1.43 0.63 -1.26 -4.48 116.66 110.88 1q38 n ARG 82 Ca 0.00 0.87 0.00 0.00 -0.92 0.00 0.00 57.85 57.80 1q38 n ARG 82 Cb 0.00 -5.22 0.00 0.00 0.45 0.00 0.00 32.46 27.69 1q38 n ARG 82 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1q38 n SER 83 N -0.98 0.00 -1.71 6.15 2.88 -1.26 -5.01 113.62 113.70 1q38 n SER 83 Ca -0.12 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.26 1q38 n SER 83 Cb 0.56 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.97 1q38 n SER 83 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1q38 n HIS 84 N 0.00 -0.50 -3.97 0.66 8.25 -1.26 -4.88 115.22 113.51 1q38 n HIS 84 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1q38 n HIS 84 Cb 0.00 -2.98 -0.02 0.00 1.12 0.00 0.00 29.99 28.12 1q38 n HIS 84 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1q38 s HIS 85 N -2.45 0.66 -0.89 4.41 5.04 -1.26 -5.10 115.29 115.69 1q38 s HIS 85 Ca 0.00 -1.07 -0.10 0.00 -1.54 0.00 0.00 55.06 52.35 1q38 s HIS 85 Cb 0.00 0.30 0.23 0.00 0.04 0.00 0.00 32.58 33.15 1q38 s HIS 85 CO 0.00 -1.30 0.82 -1.01 -2.34 0.00 0.00 174.74 170.91 1q38 s HIS 86 N -2.81 3.87 -0.01 3.88 3.76 -1.26 -5.01 115.29 117.71 1q38 s HIS 86 Ca 0.24 -2.37 0.01 0.00 -0.15 0.00 0.00 55.06 52.79 1q38 s HIS 86 Cb -0.02 -3.69 0.01 0.00 1.11 0.00 0.00 32.58 29.98 1q38 s HIS 86 CO 0.16 -0.94 -0.04 -1.01 -0.85 0.00 0.00 174.74 172.07 1q38 s HIS 87 N -0.40 0.43 -0.74 1.40 4.02 -1.26 -4.92 115.29 113.83 1q38 s HIS 87 Ca 0.22 -0.08 -0.01 0.00 1.02 0.00 0.00 55.06 56.21 1q38 s HIS 87 Cb -0.11 -0.35 0.00 0.00 -1.02 0.00 0.00 32.58 31.10 1q38 s HIS 87 CO -0.08 -0.06 0.67 1.58 1.02 0.00 0.00 174.74 177.87 1q38 n HIS 88 N 3.36 -2.82 0.93 1.40 -0.00 -1.26 -5.15 115.22 111.67 1q38 n HIS 88 Ca -0.18 1.09 0.11 0.00 -0.00 0.00 0.00 57.72 58.75 1q38 n HIS 88 Cb 0.56 -3.82 0.09 0.00 -0.00 0.00 0.00 29.99 26.82 1q38 n HIS 88 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95