#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xs0 s LEU 4 N 0.00 3.85 0.20 -2.67 2.96 -1.26 -4.74 118.68 117.03 1xs0 s LEU 4 Ca 0.00 0.78 -0.06 0.00 -0.22 0.00 0.00 54.13 54.63 1xs0 s LEU 4 Cb 0.00 -3.49 -0.02 0.00 0.50 0.00 0.00 46.19 43.17 1xs0 s LEU 4 CO 0.00 -0.99 0.25 0.42 -1.32 0.00 0.00 176.35 174.71 1xs0 s THR 5 N 3.87 0.02 0.34 3.68 -4.23 -1.26 -4.30 115.64 113.76 1xs0 s THR 5 Ca 0.45 -1.72 0.03 0.00 -1.18 0.00 0.00 61.69 59.27 1xs0 s THR 5 Cb -0.11 -2.27 0.19 0.00 1.34 0.00 0.00 72.50 71.65 1xs0 s THR 5 CO 0.21 -0.09 1.91 0.40 -0.54 0.00 0.00 174.62 176.52 1xs0 h ILE 6 N 2.52 1.18 -0.55 2.99 2.04 -1.89 -1.58 117.51 122.22 1xs0 h ILE 6 Ca -0.32 -0.62 -0.12 0.00 1.00 0.00 0.00 64.86 64.80 1xs0 h ILE 6 Cb 1.24 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1xs0 h ILE 6 CO 0.47 0.23 -0.11 -1.28 0.00 0.00 0.00 178.15 177.47 1xs0 h SER 7 N 0.62 1.05 0.53 1.72 0.87 -1.79 -0.54 113.55 116.01 1xs0 h SER 7 Ca 0.15 -0.35 -0.11 0.00 -1.23 0.00 0.00 61.79 60.24 1xs0 h SER 7 Cb 0.20 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1xs0 h SER 7 CO -0.01 1.15 -0.54 0.77 -0.53 0.00 0.00 176.83 177.67 1xs0 h SER 8 N 0.93 0.01 -0.50 6.23 4.64 -1.68 -2.47 113.55 120.71 1xs0 h SER 8 Ca 0.14 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.33 1xs0 h SER 8 Cb 0.68 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 1xs0 h SER 8 CO 0.05 0.55 -0.17 -0.07 -0.87 0.00 0.00 176.83 176.32 1xs0 h LEU 9 N 0.01 1.02 -1.77 5.97 3.38 -1.04 0.31 115.31 123.18 1xs0 h LEU 9 Ca -0.01 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1xs0 h LEU 9 Cb 0.96 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1xs0 h LEU 9 CO 0.07 1.16 -0.09 0.00 0.09 0.00 0.00 178.44 179.67 1xs0 h ALA 10 N 0.91 1.10 0.00 1.53 0.00 -0.67 -3.10 119.26 119.04 1xs0 h ALA 10 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xs0 h ALA 10 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1xs0 h ALA 10 CO 0.06 0.11 -1.51 1.63 0.00 0.00 0.00 179.25 179.54 1xs0 n LYS 11 N -3.34 0.74 -1.70 0.00 5.02 -0.97 -4.48 118.16 113.43 1xs0 n LYS 11 Ca -0.01 -0.11 -0.43 0.00 -2.02 0.00 0.00 58.31 55.74 1xs0 n LYS 11 Cb 0.27 -1.32 -0.02 0.00 -0.02 0.00 0.00 35.03 33.95 1xs0 n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xs0 n GLY 12 N 1.62 0.80 0.34 0.72 0.00 0.08 -4.76 105.19 104.00 1xs0 n GLY 12 Ca -0.02 0.42 0.07 0.00 0.00 0.00 0.00 46.02 46.49 1xs0 n GLY 12 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xs0 h GLU 13 N 3.65 0.81 -0.50 1.61 4.39 -1.91 0.12 114.58 122.74 1xs0 h GLU 13 Ca -0.46 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.19 1xs0 h GLU 13 Cb 1.27 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1xs0 h GLU 13 CO 0.71 0.53 0.00 0.25 -1.16 0.00 0.00 179.01 179.34 1xs0 n THR 14 N -4.73 0.69 0.00 1.13 -2.24 -1.26 -4.33 114.28 103.55 1xs0 n THR 14 Ca 0.18 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1xs0 n THR 14 Cb 0.40 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1xs0 n THR 14 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xs0 n THR 15 N 1.48 0.00 -0.11 4.28 -2.24 -0.77 -4.81 114.28 112.11 1xs0 n THR 15 Ca 0.20 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.02 1xs0 n THR 15 Cb 0.60 0.25 0.35 0.00 -2.10 0.00 0.00 70.33 69.42 1xs0 n THR 15 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1xs0 h LYS 16 N 0.00 0.74 -0.11 -0.78 2.10 -0.71 0.58 116.57 118.39 1xs0 h LYS 16 Ca 0.00 -0.04 -0.17 0.00 -2.00 0.00 0.00 60.65 58.44 1xs0 h LYS 16 Cb 0.14 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 31.29 1xs0 h LYS 16 CO 0.00 0.49 -0.64 0.00 -2.00 0.00 0.00 179.45 177.30 1xs0 h ALA 17 N 1.64 0.68 -0.51 0.07 0.00 -1.84 -0.90 119.26 118.41 1xs0 h ALA 17 Ca 0.22 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1xs0 h ALA 17 Cb -0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1xs0 h ALA 17 CO -0.05 0.73 -0.03 0.00 0.00 0.00 0.00 179.25 179.90 1xs0 h ALA 18 N 1.00 0.99 -0.32 0.00 0.00 -1.70 -0.96 119.26 118.28 1xs0 h ALA 18 Ca -0.01 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1xs0 h ALA 18 Cb 1.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1xs0 h ALA 18 CO 0.11 0.61 -0.17 0.35 0.00 0.00 0.00 179.25 180.16 1xs0 h PHE 19 N 0.81 0.78 -0.22 0.00 3.57 -0.69 0.04 116.94 121.22 1xs0 h PHE 19 Ca 0.15 -0.20 -0.04 0.00 3.53 0.00 0.00 57.97 61.41 1xs0 h PHE 19 Cb 0.52 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1xs0 h PHE 19 CO 0.03 0.90 -0.03 -0.91 -2.23 0.00 0.00 178.31 176.07 1xs0 h ASN 20 N 0.44 0.31 -0.15 0.41 -0.26 -0.93 -1.42 115.58 113.97 1xs0 h ASN 20 Ca 0.07 -0.05 -0.06 0.00 -0.56 0.00 0.00 56.30 55.70 1xs0 h ASN 20 Cb 0.70 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.88 1xs0 h ASN 20 CO 0.05 0.39 -0.14 -0.61 -1.06 0.00 0.00 177.43 176.06 1xs0 h GLN 21 N 0.32 0.36 -0.87 0.81 5.75 -0.85 -1.29 115.11 119.35 1xs0 h GLN 21 Ca 0.07 -0.19 0.11 0.00 -0.15 0.00 0.00 58.65 58.50 1xs0 h GLN 21 Cb 0.27 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.74 1xs0 h GLN 21 CO 0.01 0.74 0.50 1.98 -2.65 0.00 0.00 178.83 179.41 1xs0 h MET 22 N -0.00 0.78 -0.08 1.69 4.05 -0.01 -1.53 114.93 119.82 1xs0 h MET 22 Ca 0.03 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1xs0 h MET 22 Cb 0.66 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.29 1xs0 h MET 22 CO 0.04 0.51 0.00 1.33 0.23 0.00 0.00 176.91 179.02 1xs0 n VAL 23 N -4.74 0.09 -1.73 -5.77 0.24 -0.63 -4.72 118.33 101.06 1xs0 n VAL 23 Ca 0.16 -0.33 -0.42 0.00 -2.04 0.00 0.00 64.34 61.71 1xs0 n VAL 23 Cb 0.33 0.60 -0.03 0.00 -1.47 0.00 0.00 33.84 33.27 1xs0 n VAL 23 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1xs0 s GLN 24 N -1.91 4.14 0.00 7.34 0.74 -0.49 -1.14 119.66 128.34 1xs0 s GLN 24 Ca 0.35 2.57 0.00 0.00 0.05 0.00 0.00 55.36 58.33 1xs0 s GLN 24 Cb 0.20 -3.70 0.00 0.00 1.10 0.00 0.00 33.01 30.61 1xs0 s GLN 24 CO 0.31 -0.85 0.00 0.41 -0.55 0.00 0.00 175.29 174.61 1xs0 n GLY 25 N 4.26 0.72 0.33 2.59 0.00 -1.26 -4.93 105.19 106.91 1xs0 n GLY 25 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 1xs0 n GLY 25 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xs0 n HIS 26 N -2.48 0.00 -3.99 1.61 8.25 -0.29 -5.04 115.22 113.28 1xs0 n HIS 26 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 1xs0 n HIS 26 Cb 0.00 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.13 1xs0 n HIS 26 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1xs0 n LYS 27 N -0.30 -0.50 -2.87 -0.41 2.85 -1.26 -4.96 118.16 110.71 1xs0 n LYS 27 Ca 0.07 0.16 -0.31 0.00 -1.05 0.00 0.00 58.31 57.17 1xs0 n LYS 27 Cb 0.35 -2.92 -0.04 0.00 -0.65 0.00 0.00 35.03 31.77 1xs0 n LYS 27 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1xs0 s LEU 28 N -7.24 3.87 0.71 -5.58 1.43 -1.26 -5.05 118.68 105.55 1xs0 s LEU 28 Ca 0.48 1.25 -0.16 0.00 -1.03 0.00 0.00 54.13 54.67 1xs0 s LEU 28 Cb -0.24 -4.12 0.02 0.00 0.03 0.00 0.00 46.19 41.88 1xs0 s LEU 28 CO 0.95 -0.37 1.23 -2.84 0.23 0.00 0.00 176.35 175.55 1xs0 s PRO 29 N -3.61 2.26 0.54 1.29 0.02 -1.26 -4.90 135.00 129.33 1xs0 s PRO 29 Ca 0.53 1.86 0.21 0.00 0.02 0.00 0.00 61.00 63.62 1xs0 s PRO 29 Cb -0.10 -1.84 1.39 0.00 0.02 0.00 0.00 34.50 33.97 1xs0 s PRO 29 CO 0.27 -1.77 2.12 0.00 -0.33 0.00 0.00 177.00 177.28 1xs0 h ALA 30 N -0.04 2.07 0.00 -1.55 0.00 -2.03 -2.07 119.26 115.65 1xs0 h ALA 30 Ca -0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1xs0 h ALA 30 Cb 1.31 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xs0 h ALA 30 CO 0.51 -0.19 -0.05 0.11 0.00 0.00 0.00 179.25 179.63 1xs0 h TRP 31 N 0.00 0.00 -0.23 0.00 5.08 -1.98 -2.58 115.95 116.24 1xs0 h TRP 31 Ca 0.07 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.02 1xs0 h TRP 31 Cb 0.30 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.45 1xs0 h TRP 31 CO 0.00 0.05 0.07 0.28 -1.28 0.00 0.00 178.44 177.56 1xs0 h VAL 32 N 0.00 1.19 -0.11 0.12 2.07 -1.74 -0.07 116.25 117.72 1xs0 h VAL 32 Ca -0.00 -0.60 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 1xs0 h VAL 32 Cb 0.26 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1xs0 h VAL 32 CO 0.01 0.19 -0.34 -0.03 0.02 0.00 0.00 177.57 177.42 1xs0 h MET 33 N 0.21 0.21 0.00 1.57 1.85 -1.66 -1.13 114.93 115.98 1xs0 h MET 33 Ca 0.07 -0.09 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 1xs0 h MET 33 Cb 0.23 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.25 1xs0 h MET 33 CO -0.00 0.53 0.00 1.63 -0.40 0.00 0.00 176.91 178.67 1xs0 n LYS 34 N -4.09 0.24 -3.11 0.39 5.02 -1.03 -4.51 118.16 111.06 1xs0 n LYS 34 Ca -0.01 0.34 -0.22 0.00 -2.02 0.00 0.00 58.31 56.40 1xs0 n LYS 34 Cb 0.42 -1.86 -0.04 0.00 -0.02 0.00 0.00 35.03 33.53 1xs0 n LYS 34 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xs0 n GLY 35 N 0.59 -0.19 0.00 0.72 0.00 -0.07 -4.85 105.19 101.38 1xs0 n GLY 35 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1xs0 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xs0 n GLY 36 N -0.90 -2.28 3.62 -0.02 0.00 -1.26 -4.46 105.19 99.90 1xs0 n GLY 36 Ca 0.04 0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1xs0 n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xs0 s THR 37 N -0.37 4.27 0.07 2.61 -4.23 -1.26 -4.98 115.64 111.74 1xs0 s THR 37 Ca 0.00 1.40 0.00 0.00 -1.18 0.00 0.00 61.69 61.91 1xs0 s THR 37 Cb 0.00 -4.40 -0.04 0.00 1.34 0.00 0.00 72.50 69.40 1xs0 s THR 37 CO 0.00 -0.67 -0.05 -0.72 -0.54 0.00 0.00 174.62 172.64 1xs0 s TYR 38 N 4.23 0.67 -0.05 3.99 -0.85 -1.26 -1.07 117.35 123.02 1xs0 s TYR 38 Ca 0.50 -0.98 -0.03 0.00 -0.52 0.00 0.00 57.07 56.03 1xs0 s TYR 38 Cb -0.12 -0.44 -0.04 0.00 0.38 0.00 0.00 41.96 41.75 1xs0 s TYR 38 CO 0.24 -0.27 0.13 0.99 -1.52 0.00 0.00 175.55 175.12 1xs0 s THR 39 N -3.69 5.20 0.57 -3.49 2.01 -0.84 -4.99 115.64 110.42 1xs0 s THR 39 Ca 0.08 -0.11 -0.21 0.00 0.31 0.00 0.00 61.69 61.76 1xs0 s THR 39 Cb 0.06 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 1xs0 s THR 39 CO -0.07 0.44 1.33 -2.16 -0.69 0.00 0.00 174.62 173.47 1xs0 s PRO 40 N -1.54 2.99 0.39 4.92 0.04 -1.26 -4.18 135.00 136.37 1xs0 s PRO 40 Ca 0.21 2.17 -0.27 0.00 0.04 0.00 0.00 61.00 63.16 1xs0 s PRO 40 Cb -0.12 -2.14 -0.10 0.00 0.04 0.00 0.00 34.50 32.18 1xs0 s PRO 40 CO 0.12 -1.29 1.39 0.00 0.04 0.00 0.00 177.00 177.26 1xs0 s ALA 41 N -1.34 3.39 0.17 8.56 0.00 -1.26 -4.81 121.76 126.47 1xs0 s ALA 41 Ca 0.75 1.39 0.11 0.00 0.00 0.00 0.00 51.96 54.21 1xs0 s ALA 41 Cb -0.39 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.14 1xs0 s ALA 41 CO 0.45 -0.95 -0.22 -0.65 0.00 0.00 0.00 175.76 174.39 1xs0 s GLN 42 N -2.17 1.58 -0.16 0.00 -1.52 -0.26 -4.91 119.66 112.22 1xs0 s GLN 42 Ca 0.55 -1.44 -0.11 0.00 -1.95 0.00 0.00 55.36 52.41 1xs0 s GLN 42 Cb -0.42 -1.91 -0.05 0.00 -0.22 0.00 0.00 33.01 30.41 1xs0 s GLN 42 CO 0.56 0.42 0.20 0.99 -0.25 0.00 0.00 175.29 177.21 1xs0 s THR 43 N -1.53 5.37 -0.01 -0.19 2.01 -1.26 0.43 115.64 120.47 1xs0 s THR 43 Ca 0.20 0.35 0.02 0.00 0.31 0.00 0.00 61.69 62.57 1xs0 s THR 43 Cb -0.09 -3.53 -0.00 0.00 0.01 0.00 0.00 72.50 68.89 1xs0 s THR 43 CO 0.10 0.46 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.72 1xs0 s VAL 44 N 0.10 0.63 -0.19 3.82 1.01 0.28 -4.92 120.40 121.14 1xs0 s VAL 44 Ca 0.13 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 1xs0 s VAL 44 Cb -0.12 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 1xs0 s VAL 44 CO 0.02 0.18 -0.07 -0.89 0.00 0.00 0.00 175.10 174.34 1xs0 s THR 45 N -0.12 3.26 -0.30 3.92 2.01 -1.26 -0.88 115.64 122.26 1xs0 s THR 45 Ca 0.02 -0.55 -0.00 0.00 0.31 0.00 0.00 61.69 61.47 1xs0 s THR 45 Cb -0.04 -2.45 0.06 0.00 0.01 0.00 0.00 72.50 70.08 1xs0 s THR 45 CO -0.00 0.46 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.61 1xs0 s LEU 46 N 1.12 3.89 0.00 4.42 1.43 0.05 -0.76 118.68 128.84 1xs0 s LEU 46 Ca 0.01 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.73 1xs0 s LEU 46 Cb -0.15 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1xs0 s LEU 46 CO -0.01 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 176.91 1xs0 n GLY 47 N 4.56 2.34 0.58 -3.19 0.00 0.76 -2.62 105.19 107.61 1xs0 n GLY 47 Ca -0.12 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 45.77 1xs0 n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xs0 n ASP 48 N 9.68 1.74 -4.08 1.61 3.85 -1.26 -0.96 116.55 127.13 1xs0 n ASP 48 Ca 0.00 -3.85 -0.18 0.00 -0.71 0.00 0.00 54.79 50.06 1xs0 n ASP 48 Cb 0.00 -0.52 -0.13 0.00 -1.35 0.00 0.00 41.12 39.12 1xs0 n ASP 48 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1xs0 s GLU 49 N -3.19 0.73 -0.04 0.11 0.41 -1.08 -5.10 118.70 110.55 1xs0 s GLU 49 Ca 0.38 -0.61 0.02 0.00 -0.41 0.00 0.00 54.97 54.34 1xs0 s GLU 49 Cb 0.36 -0.68 -0.03 0.00 -1.78 0.00 0.00 34.13 32.01 1xs0 s GLU 49 CO -0.07 0.17 -0.09 0.99 -0.49 0.00 0.00 175.26 175.78 1xs0 s THR 50 N -0.78 3.54 0.08 3.63 2.01 -1.26 -0.77 115.64 122.09 1xs0 s THR 50 Ca -0.01 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1xs0 s THR 50 Cb -0.07 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1xs0 s THR 50 CO 0.01 0.54 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.09 1xs0 s TYR 51 N -0.85 0.84 -0.21 4.92 1.51 -0.06 -4.53 117.35 118.97 1xs0 s TYR 51 Ca 0.14 -0.75 -0.14 0.00 -1.01 0.00 0.00 57.07 55.31 1xs0 s TYR 51 Cb -0.11 -0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 41.21 1xs0 s TYR 51 CO 0.03 -0.11 0.29 -0.65 -1.11 0.00 0.00 175.55 174.00 1xs0 s GLN 52 N -2.97 4.16 -0.16 -0.62 -1.52 0.12 -0.55 119.66 118.10 1xs0 s GLN 52 Ca 0.04 0.01 -0.02 0.00 -1.95 0.00 0.00 55.36 53.44 1xs0 s GLN 52 Cb -0.01 -3.51 -0.02 0.00 -0.22 0.00 0.00 33.01 29.25 1xs0 s GLN 52 CO -0.03 0.06 -0.08 0.08 -0.25 0.00 0.00 175.29 175.07 1xs0 s VAL 53 N 1.04 3.40 0.18 1.09 1.01 0.17 -0.60 120.40 126.69 1xs0 s VAL 53 Ca 0.14 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.67 1xs0 s VAL 53 Cb -0.14 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1xs0 s VAL 53 CO 0.06 0.49 -0.14 -0.04 0.00 0.00 0.00 175.10 175.47 1xs0 s MET 54 N 0.62 1.23 0.14 2.72 -1.94 0.29 -1.10 119.30 121.26 1xs0 s MET 54 Ca -0.05 -1.51 -0.07 0.00 -1.71 0.00 0.00 55.69 52.36 1xs0 s MET 54 Cb -0.15 -1.01 -0.01 0.00 2.01 0.00 0.00 34.83 35.67 1xs0 s MET 54 CO 0.03 0.17 0.21 -1.54 -0.01 0.00 0.00 175.02 173.87 1xs0 s SER 55 N -3.13 0.13 0.18 3.03 1.04 -1.26 -0.76 113.70 112.93 1xs0 s SER 55 Ca 0.19 -0.90 -0.18 0.00 0.48 0.00 0.00 55.95 55.54 1xs0 s SER 55 Cb -0.01 0.38 0.04 0.00 0.10 0.00 0.00 66.02 66.52 1xs0 s SER 55 CO 0.05 -0.82 0.51 0.00 0.98 0.00 0.00 173.24 173.97 1xs0 s ALA 56 N -3.96 -1.05 0.21 5.32 0.00 -0.50 -1.98 121.76 119.81 1xs0 s ALA 56 Ca 0.16 -0.07 -0.09 0.00 0.00 0.00 0.00 51.96 51.96 1xs0 s ALA 56 Cb 0.05 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 1xs0 s ALA 56 CO -0.02 -0.77 0.33 0.00 0.00 0.00 0.00 175.76 175.30 1xs0 s LYS 58 N -4.04 4.12 0.17 0.00 2.20 -0.29 -4.14 119.74 117.77 1xs0 s LYS 58 Ca 0.25 2.07 -0.33 0.00 -0.36 0.00 0.00 55.97 57.60 1xs0 s LYS 58 Cb 0.02 -3.98 -0.15 0.00 -1.51 0.00 0.00 37.83 32.22 1xs0 s LYS 58 CO 0.07 -0.91 1.41 -2.30 -0.36 0.00 0.00 175.35 173.26 1xs0 n PRO 59 N 7.17 1.75 -0.85 4.03 -0.02 -1.26 -1.13 135.00 144.69 1xs0 n PRO 59 Ca 0.17 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1xs0 n PRO 59 Cb 0.43 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1xs0 n PRO 59 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1xs0 n HIS 60 N 2.44 0.00 -2.71 6.00 8.25 -1.26 -4.70 115.22 123.25 1xs0 n HIS 60 Ca 0.15 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.53 1xs0 n HIS 60 Cb 0.27 -1.04 0.09 0.00 1.12 0.00 0.00 29.99 30.43 1xs0 n HIS 60 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1xs0 n ASP 61 N -0.29 -0.97 -0.08 0.41 2.03 -0.28 -4.99 116.55 112.38 1xs0 n ASP 61 Ca 0.00 -2.64 0.02 0.00 0.52 0.00 0.00 54.79 52.69 1xs0 n ASP 61 Cb 0.14 0.63 0.35 0.00 -0.72 0.00 0.00 41.12 41.52 1xs0 n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xs0 n GLY 63 N -1.40 -1.31 0.10 0.00 0.00 -1.26 -3.80 105.19 97.51 1xs0 n GLY 63 Ca 0.05 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 1xs0 n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xs0 n SER 64 N -1.42 0.72 -3.70 1.61 7.64 -0.71 -4.80 113.62 112.95 1xs0 n SER 64 Ca 0.09 0.17 -0.16 0.00 1.01 0.00 0.00 58.87 59.98 1xs0 n SER 64 Cb 0.27 0.28 -0.16 0.00 -1.01 0.00 0.00 64.21 63.60 1xs0 n SER 64 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1xs0 s GLN 65 N -2.54 0.03 0.16 1.43 -0.21 -1.20 -0.64 119.66 116.69 1xs0 s GLN 65 Ca -0.11 0.44 -0.13 0.00 0.02 0.00 0.00 55.36 55.58 1xs0 s GLN 65 Cb 0.07 -0.27 0.01 0.00 1.00 0.00 0.00 33.01 33.82 1xs0 s GLN 65 CO 0.80 -0.25 0.37 -0.98 -2.12 0.00 0.00 175.29 173.11 1xs0 s ARG 66 N 1.78 1.19 0.00 2.91 3.03 -0.62 -1.14 118.95 126.10 1xs0 s ARG 66 Ca -0.02 -0.99 -0.08 0.00 2.03 0.00 0.00 55.73 56.67 1xs0 s ARG 66 Cb -0.12 0.43 0.00 0.00 -1.03 0.00 0.00 34.95 34.24 1xs0 s ARG 66 CO -0.05 -0.46 0.15 -1.50 -1.13 0.00 0.00 175.30 172.30 1xs0 s ILE 67 N -3.91 0.08 0.03 4.99 2.07 0.04 -0.78 121.20 123.73 1xs0 s ILE 67 Ca 0.12 -0.67 0.04 0.00 -1.41 0.00 0.00 60.65 58.72 1xs0 s ILE 67 Cb 0.02 -0.44 -0.02 0.00 0.13 0.00 0.00 42.46 42.15 1xs0 s ILE 67 CO -0.03 -0.37 -0.11 0.00 -1.91 0.00 0.00 174.94 172.52 1xs0 s ALA 68 N -1.36 0.91 -0.02 1.50 0.00 0.09 -1.40 121.76 121.49 1xs0 s ALA 68 Ca -0.14 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.13 1xs0 s ALA 68 Cb -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1xs0 s ALA 68 CO 0.02 0.15 -0.05 0.08 0.00 0.00 0.00 175.76 175.96 1xs0 s VAL 69 N -0.82 0.46 -0.21 0.00 1.01 0.06 -0.27 120.40 120.64 1xs0 s VAL 69 Ca -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 1xs0 s VAL 69 Cb -0.07 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 1xs0 s VAL 69 CO 0.01 0.16 -0.02 -0.04 0.00 0.00 0.00 175.10 175.21 1xs0 s MET 70 N 0.19 3.52 -0.05 2.72 -1.94 0.88 -0.54 119.30 124.08 1xs0 s MET 70 Ca -0.02 -0.56 0.03 0.00 -1.71 0.00 0.00 55.69 53.42 1xs0 s MET 70 Cb -0.06 -3.05 0.01 0.00 2.01 0.00 0.00 34.83 33.74 1xs0 s MET 70 CO -0.00 -0.07 -0.13 -0.46 -0.01 0.00 0.00 175.02 174.35 1xs0 s TRP 71 N 1.18 1.41 -0.39 -0.03 -0.00 0.24 -0.83 118.94 120.51 1xs0 s TRP 71 Ca 0.03 -0.45 -0.21 0.00 -0.00 0.00 0.00 56.10 55.47 1xs0 s TRP 71 Cb -0.15 -1.00 0.01 0.00 -0.00 0.00 0.00 33.47 32.33 1xs0 s TRP 71 CO 0.00 -0.20 0.64 0.45 -0.00 0.00 0.00 176.95 177.84 1xs0 s SER 72 N 0.38 6.39 0.62 5.86 0.15 0.07 0.10 113.70 127.27 1xs0 s SER 72 Ca -0.09 -0.03 0.37 0.00 0.70 0.00 0.00 55.95 56.90 1xs0 s SER 72 Cb -0.13 -2.33 2.05 0.00 -1.71 0.00 0.00 66.02 63.91 1xs0 s SER 72 CO 0.03 -0.67 2.28 -0.33 1.20 0.00 0.00 173.24 175.74 1xs0 h GLU 73 N 8.63 0.00 0.15 5.44 5.08 -1.89 0.11 114.58 132.10 1xs0 h GLU 73 Ca -0.26 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.87 1xs0 h GLU 73 Cb 1.10 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.37 1xs0 h GLU 73 CO 0.86 0.01 -1.07 -0.22 -1.00 0.00 0.00 179.01 177.59 1xs0 h LYS 74 N 0.00 0.33 -0.01 2.33 3.64 -1.91 -3.37 116.57 117.58 1xs0 h LYS 74 Ca -0.00 -0.56 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1xs0 h LYS 74 Cb 0.07 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1xs0 h LYS 74 CO 0.00 1.27 -0.52 -1.13 -2.27 0.00 0.00 179.45 176.80 1xs0 n SER 75 N -4.01 1.60 0.00 4.20 3.41 -1.15 -4.97 113.62 112.70 1xs0 n SER 75 Ca -0.17 -1.30 0.00 0.00 -0.26 0.00 0.00 58.87 57.14 1xs0 n SER 75 Cb 0.89 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 65.44 1xs0 n SER 75 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1xs0 n ASN 76 N -0.40 -1.28 -4.76 4.04 4.05 0.37 -4.99 115.26 112.29 1xs0 n ASN 76 Ca 0.07 0.00 -0.40 0.00 0.45 0.00 0.00 54.58 54.70 1xs0 n ASN 76 Cb 0.38 -1.50 -0.04 0.00 1.23 0.00 0.00 39.78 39.85 1xs0 n ASN 76 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1xs0 s GLN 77 N -0.66 4.50 0.01 1.20 -0.21 -1.25 -4.75 119.66 118.50 1xs0 s GLN 77 Ca 0.00 1.83 0.00 0.00 0.02 0.00 0.00 55.36 57.21 1xs0 s GLN 77 Cb 0.00 -3.06 -0.01 0.00 1.00 0.00 0.00 33.01 30.94 1xs0 s GLN 77 CO 0.00 0.08 -0.02 0.00 -2.12 0.00 0.00 175.29 173.23 1xs0 s MET 78 N -1.67 0.17 0.11 2.91 0.23 -1.26 -0.75 119.30 119.03 1xs0 s MET 78 Ca 0.47 -0.33 0.04 0.00 -1.03 0.00 0.00 55.69 54.85 1xs0 s MET 78 Cb -0.32 0.06 -0.04 0.00 -1.53 0.00 0.00 34.83 33.00 1xs0 s MET 78 CO 0.41 -0.03 -0.10 0.95 -2.03 0.00 0.00 175.02 174.22 1xs0 s THR 79 N -0.78 1.00 0.34 3.16 -4.23 -0.01 -4.96 115.64 110.16 1xs0 s THR 79 Ca -0.09 -1.72 -0.03 0.00 -1.18 0.00 0.00 61.69 58.68 1xs0 s THR 79 Cb -0.05 -1.46 0.00 0.00 1.34 0.00 0.00 72.50 72.33 1xs0 s THR 79 CO -0.01 -0.58 0.48 -0.83 -0.54 0.00 0.00 174.62 173.14 1xs0 s GLY 80 N -2.57 1.45 -0.15 3.99 0.00 -0.27 -0.08 107.32 109.68 1xs0 s GLY 80 Ca 0.08 -1.49 -0.07 0.00 0.00 0.00 0.00 44.72 43.23 1xs0 s GLY 80 CO 0.00 -0.98 0.35 -2.27 0.00 0.00 0.00 173.10 170.20 1xs0 s LEU 81 N -3.23 -0.08 -0.06 0.66 2.96 0.62 -0.71 118.68 118.85 1xs0 s LEU 81 Ca 0.30 0.78 0.02 0.00 -0.22 0.00 0.00 54.13 55.02 1xs0 s LEU 81 Cb -0.00 1.12 -0.03 0.00 0.50 0.00 0.00 46.19 47.78 1xs0 s LEU 81 CO 0.20 -0.20 -0.11 0.12 -1.32 0.00 0.00 176.35 175.04 1xs0 s PHE 82 N 1.66 2.82 -0.04 5.38 5.36 -0.08 -0.73 117.98 132.35 1xs0 s PHE 82 Ca -0.07 -0.11 0.02 0.00 -0.96 0.00 0.00 56.93 55.81 1xs0 s PHE 82 Cb -0.10 -1.68 0.01 0.00 -0.34 0.00 0.00 43.02 40.90 1xs0 s PHE 82 CO -0.11 0.22 -0.10 0.45 -1.46 0.00 0.00 175.22 174.22 1xs0 s SER 83 N -0.67 1.38 -0.04 6.13 0.15 0.04 -0.52 113.70 120.17 1xs0 s SER 83 Ca 0.10 -0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.56 1xs0 s SER 83 Cb -0.11 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.75 1xs0 s SER 83 CO 0.01 0.06 -0.12 -0.89 1.20 0.00 0.00 173.24 173.50 1xs0 s THR 84 N 0.33 1.04 -0.22 6.45 2.01 -0.76 -1.59 115.64 122.90 1xs0 s THR 84 Ca -0.06 -0.49 -0.08 0.00 0.31 0.00 0.00 61.69 61.38 1xs0 s THR 84 Cb -0.11 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1xs0 s THR 84 CO 0.01 0.32 0.07 -0.63 -0.69 0.00 0.00 174.62 173.70 1xs0 s ILE 85 N 0.24 4.57 0.01 1.82 1.01 0.19 -0.71 121.20 128.34 1xs0 s ILE 85 Ca -0.05 -0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.20 1xs0 s ILE 85 Cb -0.11 -3.11 -0.06 0.00 0.01 0.00 0.00 42.46 39.20 1xs0 s ILE 85 CO 0.02 0.38 1.37 -0.62 0.00 0.00 0.00 174.94 176.08 1xs0 s ASP 86 N 1.10 6.88 0.24 3.58 2.15 -0.29 -4.91 116.67 125.43 1xs0 s ASP 86 Ca 0.04 2.10 -0.06 0.00 0.43 0.00 0.00 52.55 55.07 1xs0 s ASP 86 Cb -0.14 -2.56 0.24 0.00 -0.30 0.00 0.00 42.92 40.16 1xs0 s ASP 86 CO 0.03 -0.68 1.88 -0.33 -0.17 0.00 0.00 175.17 175.90 1xs0 h GLU 87 N 7.61 1.25 -0.35 4.34 3.07 -1.97 0.34 114.58 128.86 1xs0 h GLU 87 Ca -0.38 -0.13 -0.07 0.00 -0.50 0.00 0.00 59.36 58.27 1xs0 h GLU 87 Cb 1.18 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 1xs0 h GLU 87 CO 0.89 0.90 -0.06 -0.22 -1.40 0.00 0.00 179.01 179.12 1xs0 h LYS 88 N 1.26 0.67 0.00 2.33 3.64 -1.98 -3.38 116.57 119.11 1xs0 h LYS 88 Ca 0.32 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1xs0 h LYS 88 Cb -0.01 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1xs0 h LYS 88 CO -0.06 0.81 -1.34 0.25 -2.27 0.00 0.00 179.45 176.85 1xs0 n THR 89 N -4.43 0.00 -1.00 1.00 -2.24 -1.19 -4.98 114.28 101.44 1xs0 n THR 89 Ca -0.02 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1xs0 n THR 89 Cb 0.32 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1xs0 n THR 89 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xs0 n SER 90 N -1.76 -3.43 -4.77 3.42 7.64 0.12 -4.98 113.62 109.86 1xs0 n SER 90 Ca -0.01 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.50 1xs0 n SER 90 Cb 0.19 -0.96 -0.01 0.00 -1.01 0.00 0.00 64.21 62.42 1xs0 n SER 90 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1xs0 s GLN 91 N -0.31 3.73 -0.17 1.43 0.74 -1.26 -4.71 119.66 119.12 1xs0 s GLN 91 Ca 0.00 1.68 -0.02 0.00 0.05 0.00 0.00 55.36 57.07 1xs0 s GLN 91 Cb 0.00 -2.32 -0.01 0.00 1.10 0.00 0.00 33.01 31.77 1xs0 s GLN 91 CO 0.00 -0.55 -0.09 -2.00 -0.55 0.00 0.00 175.29 172.10 1xs0 s GLU 92 N -2.82 3.40 -0.25 1.67 2.12 -1.26 -1.13 118.70 120.42 1xs0 s GLU 92 Ca 0.65 -0.65 -0.07 0.00 0.36 0.00 0.00 54.97 55.25 1xs0 s GLU 92 Cb -0.26 -2.80 -0.03 0.00 0.26 0.00 0.00 34.13 31.30 1xs0 s GLU 92 CO 0.31 0.04 0.07 0.15 -0.54 0.00 0.00 175.26 175.30 1xs0 s LYS 93 N 0.82 3.66 -0.09 4.30 1.02 0.12 -4.95 119.74 124.62 1xs0 s LYS 93 Ca -0.03 -0.47 -0.05 0.00 0.02 0.00 0.00 55.97 55.44 1xs0 s LYS 93 Cb -0.15 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 1xs0 s LYS 93 CO 0.01 -0.19 0.11 -0.51 -0.92 0.00 0.00 175.35 173.85 1xs0 s LEU 94 N 1.62 4.16 -0.15 3.17 1.43 -1.26 -1.83 118.68 125.81 1xs0 s LEU 94 Ca 0.06 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 1xs0 s LEU 94 Cb -0.15 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 44.00 1xs0 s LEU 94 CO 0.04 0.38 -0.15 -0.89 0.23 0.00 0.00 176.35 175.95 1xs0 s THR 95 N -1.04 1.66 -0.08 5.49 2.01 0.32 -4.97 115.64 119.02 1xs0 s THR 95 Ca 0.17 -0.69 -0.21 0.00 0.31 0.00 0.00 61.69 61.27 1xs0 s THR 95 Cb -0.12 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 1xs0 s THR 95 CO 0.06 0.47 0.60 0.26 -0.69 0.00 0.00 174.62 175.33 1xs0 s TRP 96 N 1.45 3.56 -0.82 4.92 0.52 -1.26 -0.91 118.94 126.40 1xs0 s TRP 96 Ca 0.05 1.10 -0.13 0.00 0.02 0.00 0.00 56.10 57.14 1xs0 s TRP 96 Cb -0.13 -2.69 0.22 0.00 -1.15 0.00 0.00 33.47 29.72 1xs0 s TRP 96 CO -0.11 0.14 0.75 -0.51 0.02 0.00 0.00 176.95 177.25 1xs0 s LEU 97 N 0.64 6.63 -0.05 2.99 1.43 0.12 -4.88 118.68 125.55 1xs0 s LEU 97 Ca 0.32 -2.74 -0.06 0.00 -1.03 0.00 0.00 54.13 50.62 1xs0 s LEU 97 Cb -0.17 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 1xs0 s LEU 97 CO 0.15 -0.54 -0.11 -3.20 0.23 0.00 0.00 176.35 172.87 1xs0 n ASN 98 N 3.88 0.69 0.00 2.29 4.05 -1.26 -1.12 115.26 123.79 1xs0 n ASN 98 Ca 0.14 0.12 0.00 0.00 0.45 0.00 0.00 54.58 55.28 1xs0 n ASN 98 Cb 0.46 -0.53 0.00 0.00 1.23 0.00 0.00 39.78 40.94 1xs0 n ASN 98 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 1xs0 n VAL 99 N -3.19 0.00 0.03 3.44 0.24 -1.26 -4.26 118.33 113.33 1xs0 n VAL 99 Ca -0.05 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.26 1xs0 n VAL 99 Cb 0.17 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.53 1xs0 n VAL 99 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1xs0 n ASN 100 N 0.00 3.08 -1.93 -1.34 4.05 -1.26 -5.01 115.26 112.85 1xs0 n ASN 100 Ca 0.00 -0.18 -0.21 0.00 0.45 0.00 0.00 54.58 54.64 1xs0 n ASN 100 Cb 0.00 1.06 -0.05 0.00 1.23 0.00 0.00 39.78 42.02 1xs0 n ASN 100 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1xs0 n ASP 101 N -1.39 -5.65 -0.22 1.20 8.00 -1.26 -4.84 116.55 112.38 1xs0 n ASP 101 Ca -0.00 0.26 0.12 0.00 0.71 0.00 0.00 54.79 55.88 1xs0 n ASP 101 Cb 0.04 -4.82 0.17 0.00 -0.02 0.00 0.00 41.12 36.50 1xs0 n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xs0 n ALA 102 N -0.20 3.57 -2.24 2.24 0.00 -1.26 -4.95 120.51 117.67 1xs0 n ALA 102 Ca -0.22 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.31 1xs0 n ALA 102 Cb 0.68 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 1xs0 n ALA 102 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xs0 s LEU 103 N -2.67 4.42 0.47 0.00 2.96 -1.26 -5.04 118.68 117.56 1xs0 s LEU 103 Ca 0.18 2.09 0.08 0.00 -0.22 0.00 0.00 54.13 56.25 1xs0 s LEU 103 Cb 0.18 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 43.31 1xs0 s LEU 103 CO 0.63 -0.38 0.65 -0.94 -1.32 0.00 0.00 176.35 174.98 1xs0 s SER 104 N 0.53 5.46 0.24 3.68 1.04 -1.26 -4.93 113.70 118.47 1xs0 s SER 104 Ca 0.55 -0.52 -0.04 0.00 0.48 0.00 0.00 55.95 56.42 1xs0 s SER 104 Cb -0.30 -0.40 0.45 0.00 0.10 0.00 0.00 66.02 65.87 1xs0 s SER 104 CO 0.33 -0.96 1.74 0.40 0.98 0.00 0.00 173.24 175.72 1xs0 h ILE 105 N 0.46 0.69 -0.15 -1.02 2.04 -2.00 0.60 117.51 118.14 1xs0 h ILE 105 Ca -0.37 -0.16 -0.14 0.00 1.00 0.00 0.00 64.86 65.18 1xs0 h ILE 105 Cb 1.28 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1xs0 h ILE 105 CO 0.44 0.09 -0.52 0.44 0.00 0.00 0.00 178.15 178.60 1xs0 h ASP 106 N 0.48 0.45 -0.75 1.72 3.32 -1.99 -1.39 116.42 118.26 1xs0 h ASP 106 Ca 0.41 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1xs0 h ASP 106 Cb 0.60 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 1xs0 h ASP 106 CO -0.38 0.89 0.35 1.23 -1.72 0.00 0.00 179.24 179.61 1xs0 h GLY 107 N 1.21 1.16 1.01 2.75 0.00 -1.74 0.07 103.07 107.53 1xs0 h GLY 107 Ca 0.01 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 1xs0 h GLY 107 CO 0.09 0.55 0.44 0.50 0.00 0.00 0.00 176.54 178.12 1xs0 h LYS 108 N 1.05 1.05 -0.58 4.80 1.57 -0.39 -1.01 116.57 123.05 1xs0 h LYS 108 Ca 0.26 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1xs0 h LYS 108 Cb 0.13 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1xs0 h LYS 108 CO -0.03 0.76 0.22 1.15 -0.57 0.00 0.00 179.45 180.98 1xs0 h THR 109 N 1.04 1.23 -0.55 -0.16 2.02 -0.88 -0.79 112.91 114.83 1xs0 h THR 109 Ca 0.27 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 1xs0 h THR 109 Cb 0.00 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1xs0 h THR 109 CO -0.05 0.28 0.14 0.58 0.37 0.00 0.00 175.52 176.84 1xs0 h VAL 110 N 0.81 1.25 -0.67 3.16 2.07 -0.69 0.13 116.25 122.30 1xs0 h VAL 110 Ca 0.19 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 1xs0 h VAL 110 Cb 0.22 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1xs0 h VAL 110 CO -0.01 0.32 0.22 -0.07 0.02 0.00 0.00 177.57 178.04 1xs0 h LEU 111 N 0.78 0.96 -0.76 2.57 3.38 -0.98 0.61 115.31 121.88 1xs0 h LEU 111 Ca 0.17 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1xs0 h LEU 111 Cb 0.34 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1xs0 h LEU 111 CO 0.00 0.91 0.11 0.15 0.09 0.00 0.00 178.44 179.70 1xs0 h PHE 112 N 0.97 1.12 -0.35 1.13 3.57 -0.66 -1.74 116.94 120.97 1xs0 h PHE 112 Ca 0.22 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1xs0 h PHE 112 Cb 0.29 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1xs0 h PHE 112 CO 0.02 0.94 0.07 0.00 -2.23 0.00 0.00 178.31 177.11 1xs0 h ALA 113 N 1.12 1.48 0.08 2.41 0.00 -0.23 -0.72 119.26 123.39 1xs0 h ALA 113 Ca 0.20 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xs0 h ALA 113 Cb 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1xs0 h ALA 113 CO 0.01 0.38 -0.04 0.00 0.00 0.00 0.00 179.25 179.61 1xs0 h ALA 114 N 1.58 -0.11 0.00 0.00 0.00 -0.53 -0.85 119.26 119.36 1xs0 h ALA 114 Ca 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1xs0 h ALA 114 Cb 0.21 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1xs0 h ALA 114 CO -0.00 -0.35 -0.05 1.37 0.00 0.00 0.00 179.25 180.22 1xs0 h LEU 115 N -0.53 0.00 -0.04 0.00 8.10 -1.13 -2.92 115.31 118.79 1xs0 h LEU 115 Ca -0.01 0.00 -0.21 0.00 0.11 0.00 0.00 57.88 57.77 1xs0 h LEU 115 Cb 0.45 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.64 1xs0 h LEU 115 CO 0.02 0.05 -0.99 0.71 -4.11 0.00 0.00 178.44 174.12 1xs0 h THR 116 N 0.00 1.70 0.00 0.15 1.35 -1.14 -3.47 112.91 111.50 1xs0 h THR 116 Ca -0.00 -3.36 0.00 0.00 -0.55 0.00 0.00 66.41 62.50 1xs0 h THR 116 Cb 0.71 2.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.95 1xs0 h THR 116 CO 0.01 0.96 0.00 0.61 -0.25 0.00 0.00 175.52 176.85 1xs0 n GLY 117 N 1.30 1.16 0.23 5.82 0.00 -0.79 -5.00 105.19 107.92 1xs0 n GLY 117 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1xs0 n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xs0 h SER 118 N 0.00 0.41 -0.68 1.61 0.02 -1.45 -2.62 113.55 110.85 1xs0 h SER 118 Ca 0.00 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 1xs0 h SER 118 Cb 0.00 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1xs0 h SER 118 CO 0.00 0.66 0.25 0.25 -1.14 0.00 0.00 176.83 176.85 1xs0 h LEU 119 N 0.37 0.95 -0.73 5.07 5.85 -1.64 -0.45 115.31 124.73 1xs0 h LEU 119 Ca 0.06 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 1xs0 h LEU 119 Cb 0.62 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1xs0 h LEU 119 CO 0.04 0.87 0.22 -0.08 -0.34 0.00 0.00 178.44 179.16 1xs0 h GLU 120 N 0.97 1.15 0.00 1.25 4.22 -1.79 -1.54 114.58 118.84 1xs0 h GLU 120 Ca 0.22 -0.25 -0.03 0.00 0.08 0.00 0.00 59.36 59.38 1xs0 h GLU 120 Cb 0.23 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1xs0 h GLU 120 CO -0.02 0.99 -0.13 -0.91 -2.18 0.00 0.00 179.01 176.76 1xs0 h ASN 121 N 1.10 0.00 -2.03 1.04 2.35 -1.19 -3.33 115.58 113.51 1xs0 h ASN 121 Ca 0.24 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.42 1xs0 h ASN 121 Cb 0.32 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.30 1xs0 h ASN 121 CO -0.01 0.13 -1.06 1.41 -1.65 0.00 0.00 177.43 176.26 1xs0 n HIS 122 N -3.26 -0.01 -0.32 1.19 8.25 -0.20 -5.00 115.22 115.86 1xs0 n HIS 122 Ca 0.01 -3.61 0.20 0.00 -0.26 0.00 0.00 57.72 54.06 1xs0 n HIS 122 Cb 0.40 -0.36 0.41 0.00 1.12 0.00 0.00 29.99 31.56 1xs0 n HIS 122 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1xs0 h PRO 123 N 4.05 0.28 -0.61 -0.41 0.13 -1.42 -0.06 132.00 133.97 1xs0 h PRO 123 Ca 0.09 -0.02 -0.32 0.00 -0.87 0.00 0.00 66.00 64.88 1xs0 h PRO 123 Cb 0.86 -0.06 -0.19 0.00 0.13 0.00 0.00 31.00 31.74 1xs0 h PRO 123 CO 0.49 0.19 0.19 -0.25 -0.23 0.00 0.00 178.00 178.39 1xs0 n ASP 124 N -5.11 3.06 -1.06 1.44 10.43 -1.26 -4.55 116.55 119.51 1xs0 n ASP 124 Ca 0.28 -3.73 0.09 0.00 2.57 0.00 0.00 54.79 54.00 1xs0 n ASP 124 Cb 0.87 -0.72 0.25 0.00 1.84 0.00 0.00 41.12 43.37 1xs0 n ASP 124 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1xs0 n GLY 125 N -1.13 2.63 1.49 0.44 0.00 -0.04 -4.43 105.19 104.16 1xs0 n GLY 125 Ca 0.44 -0.62 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 1xs0 n GLY 125 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xs0 n PHE 126 N 1.16 0.61 -3.27 1.61 3.01 -1.26 -5.00 117.46 114.32 1xs0 n PHE 126 Ca 0.19 -1.35 -0.40 0.00 1.01 0.00 0.00 57.45 56.90 1xs0 n PHE 126 Cb 0.54 -0.22 -0.08 0.00 -0.01 0.00 0.00 39.48 39.71 1xs0 n PHE 126 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1xs0 s ASN 127 N -2.94 6.37 -0.65 4.37 0.01 -1.26 -4.55 114.94 116.28 1xs0 s ASN 127 Ca 0.37 0.34 0.06 0.00 -0.71 0.00 0.00 52.86 52.92 1xs0 s ASN 127 Cb 0.38 -2.26 0.24 0.00 0.41 0.00 0.00 41.25 40.01 1xs0 s ASN 127 CO -0.08 -0.32 0.71 0.49 -1.51 0.00 0.00 177.10 176.39 1xs0 n PHE 128 N 5.55 3.60 -2.12 2.20 3.72 0.06 -4.98 117.46 125.50 1xs0 n PHE 128 Ca -0.05 -4.18 -0.32 0.00 -0.05 0.00 0.00 57.45 52.85 1xs0 n PHE 128 Cb 0.50 -0.58 -0.00 0.00 -0.94 0.00 0.00 39.48 38.46 1xs0 n PHE 128 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1xs0 s ARG 129 N -2.32 3.52 0.00 -1.08 0.52 -1.25 -0.17 118.95 118.17 1xs0 s ARG 129 Ca 0.37 1.07 0.00 0.00 -0.52 0.00 0.00 55.73 56.66 1xs0 s ARG 129 Cb 0.12 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.52 1xs0 s ARG 129 CO -0.04 -0.63 0.33 0.43 0.02 0.00 0.00 175.30 175.41