#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s26 h GLU 6 N 0.00 0.47 -0.73 -0.78 5.08 -2.04 -2.61 114.58 113.97 1s26 h GLU 6 Ca 0.00 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1s26 h GLU 6 Cb 0.00 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1s26 h GLU 6 CO 0.00 0.52 0.32 0.93 -1.00 0.00 0.00 179.01 179.78 1s26 h GLU 7 N 0.34 1.07 -0.31 2.33 5.08 -2.04 0.45 114.58 121.50 1s26 h GLU 7 Ca 0.10 -0.18 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1s26 h GLU 7 Cb 0.24 -0.18 -0.08 0.00 0.50 0.00 0.00 28.75 29.22 1s26 h GLU 7 CO -0.00 0.86 -0.47 1.96 -1.00 0.00 0.00 179.01 180.36 1s26 h GLN 8 N 1.04 -0.40 -0.44 2.33 1.08 -1.94 1.91 115.11 118.70 1s26 h GLN 8 Ca 0.25 0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.41 1s26 h GLN 8 Cb 0.16 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 1s26 h GLN 8 CO -0.03 -0.27 -0.01 0.82 -0.95 0.00 0.00 178.83 178.39 1s26 h ILE 9 N -0.41 1.23 -0.71 2.54 2.04 -1.17 -2.67 117.51 118.35 1s26 h ILE 9 Ca 0.10 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 1s26 h ILE 9 Cb 0.61 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1s26 h ILE 9 CO -0.52 0.34 0.38 0.00 0.00 0.00 0.00 178.15 178.35 1s26 h ALA 10 N 1.31 0.91 0.47 1.87 0.00 0.30 -1.85 119.26 122.27 1s26 h ALA 10 Ca 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1s26 h ALA 10 Cb 0.44 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1s26 h ALA 10 CO 0.02 0.43 -0.23 0.93 0.00 0.00 0.00 179.25 180.40 1s26 h GLU 11 N 0.98 -0.61 -0.12 0.00 5.08 0.31 0.19 114.58 120.41 1s26 h GLU 11 Ca 0.25 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1s26 h GLU 11 Cb 0.05 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1s26 h GLU 11 CO -0.04 -0.41 -0.22 0.74 -1.00 0.00 0.00 179.01 178.08 1s26 h PHE 12 N -0.66 -0.66 -1.09 4.33 0.04 -1.51 0.13 116.94 117.52 1s26 h PHE 12 Ca -0.07 0.03 0.31 0.00 2.80 0.00 0.00 57.97 61.04 1s26 h PHE 12 Cb 0.49 0.31 -0.06 0.00 2.20 0.00 0.00 35.95 38.89 1s26 h PHE 12 CO 0.11 -0.20 0.77 -0.22 -0.60 0.00 0.00 178.31 178.17 1s26 h LYS 13 N -0.19 0.08 -0.26 1.51 3.64 -1.41 0.10 116.57 120.05 1s26 h LYS 13 Ca 0.02 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1s26 h LYS 13 Cb 0.25 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1s26 h LYS 13 CO -0.21 0.06 0.07 1.49 -2.27 0.00 0.00 179.45 178.58 1s26 h GLU 14 N 0.09 0.42 0.00 1.90 4.22 0.21 -3.10 114.58 118.31 1s26 h GLU 14 Ca 0.54 -0.10 -0.18 0.00 0.08 0.00 0.00 59.36 59.71 1s26 h GLU 14 Cb 1.98 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 31.15 1s26 h GLU 14 CO -0.07 0.51 -0.84 0.00 -2.18 0.00 0.00 179.01 176.43 1s26 h ALA 15 N 0.89 0.60 -0.28 2.92 0.00 -0.16 -3.27 119.26 119.96 1s26 h ALA 15 Ca 0.08 -0.76 0.08 0.00 0.00 0.00 0.00 54.91 54.31 1s26 h ALA 15 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1s26 h ALA 15 CO 0.00 1.05 0.52 0.35 0.00 0.00 0.00 179.25 181.16 1s26 h PHE 16 N 0.00 0.00 -0.02 0.00 3.57 -1.11 0.21 116.94 119.59 1s26 h PHE 16 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1s26 h PHE 16 Cb 1.50 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.24 1s26 h PHE 16 CO 0.00 0.00 -0.14 0.43 -2.23 0.00 0.00 178.31 176.37 1s26 n SER 17 N -3.27 2.32 0.19 0.41 7.64 -1.23 -4.38 113.62 115.29 1s26 n SER 17 Ca 0.05 -1.66 0.03 0.00 1.01 0.00 0.00 58.87 58.30 1s26 n SER 17 Cb 0.64 0.18 0.36 0.00 -1.01 0.00 0.00 64.21 64.38 1s26 n SER 17 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1s26 h LEU 18 N 3.18 0.00 -6.45 -3.43 6.46 -0.73 -3.39 115.31 110.95 1s26 h LEU 18 Ca 0.00 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.41 1s26 h LEU 18 Cb 0.75 0.00 -0.33 0.00 -0.73 0.00 0.00 40.66 40.35 1s26 h LEU 18 CO 0.00 0.39 -0.66 0.12 -0.62 0.00 0.00 178.44 177.67 1s26 s PHE 19 N -3.97 -0.36 -0.51 1.25 2.19 -1.26 -5.04 117.98 110.28 1s26 s PHE 19 Ca -0.02 -0.45 0.07 0.00 0.33 0.00 0.00 56.93 56.85 1s26 s PHE 19 Cb 0.13 -0.46 0.20 0.00 -1.31 0.00 0.00 43.02 41.59 1s26 s PHE 19 CO 0.71 -0.94 0.76 -3.47 1.83 0.00 0.00 175.22 174.11 1s26 n ASP 20 N 4.89 -3.18 -2.05 6.13 4.64 -1.26 -4.97 116.55 120.75 1s26 n ASP 20 Ca 0.03 -3.00 -0.03 0.00 -1.38 0.00 0.00 54.79 50.41 1s26 n ASP 20 Cb 0.46 1.68 -0.04 0.00 -1.04 0.00 0.00 41.12 42.17 1s26 n ASP 20 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 1s26 n LYS 21 N 2.57 0.69 0.00 -0.67 0.00 -1.26 -1.74 118.16 117.75 1s26 n LYS 21 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 58.31 58.23 1s26 n LYS 21 Cb 0.58 -1.52 0.00 0.00 0.00 0.00 0.00 35.03 34.09 1s26 n LYS 21 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1s26 n ASP 22 N 2.32 2.15 0.00 3.14 4.64 -1.26 -5.04 116.55 122.51 1s26 n ASP 22 Ca 0.11 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.52 1s26 n ASP 22 Cb 0.33 0.19 0.00 0.00 -1.04 0.00 0.00 41.12 40.60 1s26 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1s26 n GLY 23 N 1.70 2.34 1.72 0.27 0.00 -0.71 -4.76 105.19 105.74 1s26 n GLY 23 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1s26 n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s26 n ASP 24 N 0.11 4.89 -3.87 1.61 8.00 -1.26 -4.92 116.55 121.11 1s26 n ASP 24 Ca 0.00 -2.85 -0.25 0.00 0.71 0.00 0.00 54.79 52.41 1s26 n ASP 24 Cb 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 1s26 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s26 n GLY 25 N 0.39 -0.28 2.34 0.44 0.00 -1.26 -4.92 105.19 101.90 1s26 n GLY 25 Ca 0.26 0.14 -0.20 0.00 0.00 0.00 0.00 46.02 46.22 1s26 n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s26 n THR 26 N -4.37 -0.52 -0.28 2.61 -2.24 -1.22 -3.27 114.28 104.98 1s26 n THR 26 Ca -0.26 -3.35 0.00 0.00 -2.27 0.00 0.00 64.05 58.17 1s26 n THR 26 Cb 0.66 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1s26 n THR 26 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1s26 n ILE 27 N 1.49 0.00 -4.37 2.28 -5.35 0.54 -4.28 119.36 109.67 1s26 n ILE 27 Ca 0.18 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.40 1s26 n ILE 27 Cb 0.56 -1.12 -0.09 0.00 -1.74 0.00 0.00 39.64 37.25 1s26 n ILE 27 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1s26 s THR 28 N -0.51 2.18 -1.61 7.28 -4.23 -1.26 0.41 115.64 117.90 1s26 s THR 28 Ca 0.00 -1.85 0.26 0.00 -1.18 0.00 0.00 61.69 58.92 1s26 s THR 28 Cb 0.00 -2.99 0.55 0.00 1.34 0.00 0.00 72.50 71.40 1s26 s THR 28 CO 0.00 -0.01 1.89 0.41 -0.54 0.00 0.00 174.62 176.37 1s26 n THR 29 N -1.10 0.12 0.15 3.99 -1.04 -1.21 -2.00 114.28 113.19 1s26 n THR 29 Ca -0.03 0.03 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1s26 n THR 29 Cb 0.66 -0.61 0.20 0.00 -1.82 0.00 0.00 70.33 68.76 1s26 n THR 29 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1s26 h LYS 30 N 0.00 0.00 -0.00 -2.82 1.57 -1.94 -3.26 116.57 110.11 1s26 h LYS 30 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s26 h LYS 30 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1s26 h LYS 30 CO 0.00 0.55 -0.22 -0.85 -0.57 0.00 0.00 179.45 178.36 1s26 n GLU 31 N -3.63 3.90 -0.32 3.15 0.28 -1.02 -4.61 120.64 118.39 1s26 n GLU 31 Ca -0.01 -0.20 0.11 0.00 -0.16 0.00 0.00 57.16 56.91 1s26 n GLU 31 Cb 0.61 -0.86 0.29 0.00 1.43 0.00 0.00 31.44 32.91 1s26 n GLU 31 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1s26 h LEU 32 N 0.29 0.59 -0.43 -1.84 5.85 -1.44 0.38 115.31 118.71 1s26 h LEU 32 Ca 0.00 0.11 -0.18 0.00 0.84 0.00 0.00 57.88 58.65 1s26 h LEU 32 Cb 0.17 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1s26 h LEU 32 CO 0.00 0.18 -0.76 1.23 -0.34 0.00 0.00 178.44 178.75 1s26 h GLY 33 N 0.62 0.26 2.00 3.75 0.00 -1.82 -2.38 103.07 105.50 1s26 h GLY 33 Ca 0.54 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1s26 h GLY 33 CO -0.41 0.35 -0.05 -0.84 0.00 0.00 0.00 176.54 175.59 1s26 h THR 34 N 0.15 1.03 0.00 4.70 2.02 -0.61 -2.35 112.91 117.85 1s26 h THR 34 Ca -0.03 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1s26 h THR 34 Cb 1.34 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 68.85 1s26 h THR 34 CO 0.12 0.05 -0.13 0.58 0.37 0.00 0.00 175.52 176.51 1s26 h VAL 35 N 0.00 1.32 -0.08 3.16 2.07 -0.77 -2.96 116.25 118.98 1s26 h VAL 35 Ca -0.00 -2.03 0.02 0.00 0.82 0.00 0.00 66.70 65.51 1s26 h VAL 35 Cb 0.10 2.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1s26 h VAL 35 CO 0.01 0.45 0.21 0.24 0.02 0.00 0.00 177.57 178.49 1s26 h MET 36 N -1.00 0.00 0.10 1.57 2.86 -1.29 -2.05 114.93 115.13 1s26 h MET 36 Ca -0.03 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.24 1s26 h MET 36 Cb 0.82 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 1s26 h MET 36 CO -0.02 0.00 -2.02 0.54 1.06 0.00 0.00 176.91 176.47 1s26 n ARG 37 N -3.28 0.74 0.00 1.72 1.74 -0.90 0.25 116.66 116.93 1s26 n ARG 37 Ca -0.01 0.26 0.08 0.00 -0.77 0.00 0.00 57.85 57.42 1s26 n ARG 37 Cb 0.29 -1.69 0.42 0.00 -1.02 0.00 0.00 32.46 30.46 1s26 n ARG 37 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1s26 n SER 38 N -3.51 0.00 -0.01 0.55 2.88 -0.94 -1.92 113.62 110.67 1s26 n SER 38 Ca -0.34 0.03 0.08 0.00 -1.33 0.00 0.00 58.87 57.32 1s26 n SER 38 Cb 1.02 -0.27 -0.13 0.00 -0.75 0.00 0.00 64.21 64.08 1s26 n SER 38 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1s26 n LEU 39 N -1.27 0.07 0.00 2.46 7.94 -0.81 -5.00 117.00 120.38 1s26 n LEU 39 Ca 0.08 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1s26 n LEU 39 Cb 0.13 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.08 1s26 n LEU 39 CO 0.12 0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.03 1s26 n GLY 40 N 1.53 0.22 3.61 -3.96 0.00 -0.81 -5.09 105.19 100.69 1s26 n GLY 40 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1s26 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s26 s GLN 41 N 0.00 1.96 -0.41 1.61 -0.21 0.14 -4.99 119.66 117.76 1s26 s GLN 41 Ca 0.00 -2.16 0.08 0.00 0.02 0.00 0.00 55.36 53.30 1s26 s GLN 41 Cb 0.00 -1.30 0.26 0.00 1.00 0.00 0.00 33.01 32.97 1s26 s GLN 41 CO 0.00 -0.23 0.64 0.09 -2.12 0.00 0.00 175.29 173.67 1s26 n ASN 42 N -1.04 -0.48 -4.77 5.90 3.02 -1.26 -3.74 115.26 112.89 1s26 n ASN 42 Ca -0.09 -2.89 -0.38 0.00 -0.03 0.00 0.00 54.58 51.19 1s26 n ASN 42 Cb 0.67 -0.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.79 1s26 n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1s26 s PRO 43 N -0.87 3.97 0.39 3.52 0.04 -1.26 -5.03 135.00 135.75 1s26 s PRO 43 Ca 0.34 1.90 -0.13 0.00 0.04 0.00 0.00 61.00 63.16 1s26 s PRO 43 Cb 0.21 -2.64 -0.07 0.00 0.04 0.00 0.00 34.50 32.03 1s26 s PRO 43 CO -0.13 -0.41 0.78 -0.08 0.04 0.00 0.00 177.00 177.20 1s26 s THR 44 N -1.40 4.72 0.55 1.26 -1.32 -1.26 -4.88 115.64 113.31 1s26 s THR 44 Ca 0.58 0.79 0.30 0.00 -1.21 0.00 0.00 61.69 62.16 1s26 s THR 44 Cb -0.32 -3.69 0.45 0.00 -1.51 0.00 0.00 72.50 67.43 1s26 s THR 44 CO 0.40 -0.42 1.90 -0.33 -2.21 0.00 0.00 174.62 173.96 1s26 h GLU 45 N 1.56 0.00 -0.28 7.08 4.39 -1.97 0.11 114.58 125.47 1s26 h GLU 45 Ca -0.47 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.10 1s26 h GLU 45 Cb 1.18 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1s26 h GLU 45 CO 0.64 0.00 -0.33 0.00 -1.16 0.00 0.00 179.01 178.16 1s26 h ALA 46 N 1.54 0.42 -0.16 3.43 0.00 -2.00 -3.12 119.26 119.36 1s26 h ALA 46 Ca 0.35 -0.42 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 1s26 h ALA 46 Cb 1.50 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1s26 h ALA 46 CO -0.00 0.47 -0.65 0.93 0.00 0.00 0.00 179.25 180.00 1s26 h GLU 47 N 0.46 0.60 0.00 0.00 5.08 -1.23 -2.43 114.58 117.06 1s26 h GLU 47 Ca 0.04 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1s26 h GLU 47 Cb 0.91 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1s26 h GLU 47 CO 0.08 1.05 0.00 1.28 -1.00 0.00 0.00 179.01 180.42 1s26 n LEU 48 N -3.93 0.00 0.00 1.33 4.77 -0.27 -3.53 117.00 115.37 1s26 n LEU 48 Ca -0.04 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1s26 n LEU 48 Cb 0.67 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1s26 n LEU 48 CO 0.49 -0.15 0.00 0.00 -1.33 0.00 0.00 177.39 176.40 1s26 n GLN 49 N -1.21 0.00 -0.57 3.23 1.13 -0.95 -4.16 117.38 114.86 1s26 n GLN 49 Ca 0.05 0.00 0.44 0.00 -1.94 0.00 0.00 57.00 55.54 1s26 n GLN 49 Cb 0.06 -0.07 0.68 0.00 0.11 0.00 0.00 30.24 31.02 1s26 n GLN 49 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1s26 n ASP 50 N -1.58 0.04 0.09 1.08 5.68 -1.02 0.11 116.55 120.93 1s26 n ASP 50 Ca 0.00 0.92 -0.22 0.00 -0.50 0.00 0.00 54.79 54.99 1s26 n ASP 50 Cb 0.00 -0.46 -0.15 0.00 -1.14 0.00 0.00 41.12 39.37 1s26 n ASP 50 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1s26 h MET 51 N 0.00 0.40 -0.32 0.11 2.86 -1.84 -2.91 114.93 113.24 1s26 h MET 51 Ca 0.80 -0.69 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1s26 h MET 51 Cb 3.08 0.26 0.00 0.00 0.06 0.00 0.00 31.60 35.00 1s26 h MET 51 CO -0.09 1.31 0.00 1.51 1.06 0.00 0.00 176.91 180.71 1s26 n ILE 52 N -3.60 0.00 0.00 -1.22 0.13 0.29 -2.53 119.36 112.44 1s26 n ILE 52 Ca -0.21 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.44 1s26 n ILE 52 Cb 1.08 -0.24 0.00 0.00 -0.84 0.00 0.00 39.64 39.64 1s26 n ILE 52 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1s26 n ASN 53 N -0.20 3.16 0.00 9.51 5.15 -1.04 -4.46 115.26 127.38 1s26 n ASN 53 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1s26 n ASN 53 Cb 0.08 0.22 0.00 0.00 -0.53 0.00 0.00 39.78 39.55 1s26 n ASN 53 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1s26 n GLU 54 N -1.74 0.00 -0.09 1.20 2.13 -1.05 -2.85 120.64 118.23 1s26 n GLU 54 Ca 0.00 0.47 -0.09 0.00 0.66 0.00 0.00 57.16 58.20 1s26 n GLU 54 Cb 0.34 -1.11 0.06 0.00 0.27 0.00 0.00 31.44 31.00 1s26 n GLU 54 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1s26 h VAL 55 N 0.00 1.27 -2.12 6.31 3.04 -1.82 -3.21 116.25 119.72 1s26 h VAL 55 Ca 0.00 -1.42 -0.78 0.00 -1.01 0.00 0.00 66.70 63.50 1s26 h VAL 55 Cb 0.00 1.27 -0.28 0.00 -2.01 0.00 0.00 31.29 30.27 1s26 h VAL 55 CO 0.00 0.47 0.92 -0.67 -1.01 0.00 0.00 177.57 177.28 1s26 n ASP 56 N -4.09 7.23 -0.03 3.17 4.64 -1.24 -4.63 116.55 121.59 1s26 n ASP 56 Ca -0.00 -3.75 0.02 0.00 -1.38 0.00 0.00 54.79 49.68 1s26 n ASP 56 Cb 0.47 -1.08 0.13 0.00 -1.04 0.00 0.00 41.12 39.60 1s26 n ASP 56 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1s26 n ALA 57 N -0.28 2.52 -0.11 -1.67 0.00 -1.13 -4.25 120.51 115.59 1s26 n ALA 57 Ca 0.49 -0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.79 1s26 n ALA 57 Cb 0.27 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 1s26 n ALA 57 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1s26 h ASP 58 N 0.11 -1.22 0.00 0.00 3.58 -1.87 -3.47 116.42 113.56 1s26 h ASP 58 Ca 0.00 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1s26 h ASP 58 Cb 0.03 0.51 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1s26 h ASP 58 CO 0.00 -0.24 0.00 0.61 -2.88 0.00 0.00 179.24 176.73 1s26 n GLY 59 N -1.23 1.59 0.00 -0.78 0.00 -1.26 -5.01 105.19 98.50 1s26 n GLY 59 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1s26 n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s26 n ASN 60 N 0.00 1.27 0.00 1.61 4.13 -1.26 -5.04 115.26 115.97 1s26 n ASN 60 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1s26 n ASN 60 Cb 0.00 0.04 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 1s26 n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1s26 n GLY 61 N 1.90 0.72 3.61 7.41 0.00 -1.26 -5.05 105.19 112.52 1s26 n GLY 61 Ca 0.00 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 1s26 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s26 s THR 62 N -2.00 5.28 -0.24 2.61 -4.23 -1.26 -3.28 115.64 112.52 1s26 s THR 62 Ca 0.00 0.29 -0.06 0.00 -1.18 0.00 0.00 61.69 60.74 1s26 s THR 62 Cb 0.00 -3.57 -0.02 0.00 1.34 0.00 0.00 72.50 70.24 1s26 s THR 62 CO 0.00 0.25 0.04 -0.63 -0.54 0.00 0.00 174.62 173.75 1s26 s ILE 63 N 1.64 4.08 0.43 2.99 1.09 0.17 -4.88 121.20 126.71 1s26 s ILE 63 Ca 0.10 -0.26 0.07 0.00 -1.10 0.00 0.00 60.65 59.45 1s26 s ILE 63 Cb -0.15 -2.90 -0.03 0.00 -1.06 0.00 0.00 42.46 38.31 1s26 s ILE 63 CO 0.09 0.35 0.25 1.51 -0.10 0.00 0.00 174.94 177.04 1s26 s ASP 64 N 1.58 4.59 0.15 3.58 1.47 -1.24 -0.34 116.67 126.46 1s26 s ASP 64 Ca 0.06 -1.03 -0.24 0.00 1.18 0.00 0.00 52.55 52.52 1s26 s ASP 64 Cb -0.15 -0.37 0.03 0.00 -0.34 0.00 0.00 42.92 42.09 1s26 s ASP 64 CO 0.02 -0.64 1.60 -0.26 0.68 0.00 0.00 175.17 176.57 1s26 h PHE 65 N 1.25 -0.88 -0.97 2.11 -1.00 -1.91 -1.03 116.94 114.51 1s26 h PHE 65 Ca -0.42 0.05 0.30 0.00 2.81 0.00 0.00 57.97 60.71 1s26 h PHE 65 Cb 1.26 0.43 -0.15 0.00 3.61 0.00 0.00 35.95 41.11 1s26 h PHE 65 CO 0.67 -0.38 0.49 -1.35 -1.61 0.00 0.00 178.31 176.12 1s26 h PRO 66 N -0.30 0.30 0.16 1.51 0.11 -1.97 0.66 132.00 132.48 1s26 h PRO 66 Ca 0.14 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1s26 h PRO 66 Cb 0.53 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1s26 h PRO 66 CO -0.46 0.20 -0.08 0.93 -0.21 0.00 0.00 178.00 178.38 1s26 h GLU 67 N 0.31 -0.21 -0.69 1.05 5.08 -1.69 -3.07 114.58 115.35 1s26 h GLU 67 Ca 0.69 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 59.21 1s26 h GLU 67 Cb 1.52 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.71 1s26 h GLU 67 CO -0.62 -0.14 0.11 0.35 -1.00 0.00 0.00 179.01 177.72 1s26 h PHE 68 N -0.46 0.16 -0.19 4.33 3.57 -0.74 -0.14 116.94 123.47 1s26 h PHE 68 Ca -0.02 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1s26 h PHE 68 Cb 0.17 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1s26 h PHE 68 CO 0.05 -0.12 0.06 -0.07 -2.23 0.00 0.00 178.31 176.01 1s26 h LEU 69 N 0.21 0.23 0.11 0.59 3.38 0.18 -2.27 115.31 117.74 1s26 h LEU 69 Ca 0.38 -0.02 -0.27 0.00 0.09 0.00 0.00 57.88 58.06 1s26 h LEU 69 Cb 0.64 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1s26 h LEU 69 CO -0.52 0.22 -1.26 0.74 0.09 0.00 0.00 178.44 177.71 1s26 h THR 70 N 0.26 1.47 -0.07 0.22 2.02 -0.97 -3.07 112.91 112.77 1s26 h THR 70 Ca 0.07 -3.06 -0.00 0.00 0.77 0.00 0.00 66.41 64.18 1s26 h THR 70 Cb 0.08 2.91 -0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1s26 h THR 70 CO -0.01 0.89 0.03 0.24 0.37 0.00 0.00 175.52 177.04 1s26 h MET 71 N 0.07 0.10 -0.38 6.66 2.86 -0.91 -1.65 114.93 121.67 1s26 h MET 71 Ca -0.14 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.57 1s26 h MET 71 Cb 1.96 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.59 1s26 h MET 71 CO 0.19 0.24 0.27 0.52 1.06 0.00 0.00 176.91 179.19 1s26 h MET 72 N -0.06 0.15 0.00 1.72 2.86 -1.53 -1.30 114.93 116.76 1s26 h MET 72 Ca 0.02 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1s26 h MET 72 Cb 0.18 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1s26 h MET 72 CO -0.00 0.10 0.63 0.00 1.06 0.00 0.00 176.91 178.69 1s26 h ALA 73 N 1.80 1.50 0.00 6.32 0.00 -1.19 -2.21 119.26 125.48 1s26 h ALA 73 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1s26 h ALA 73 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1s26 h ALA 73 CO -0.02 -0.50 -1.13 -2.13 0.00 0.00 0.00 179.25 175.47 1s26 n ARG 74 N -2.11 1.05 -0.08 0.00 3.00 -0.49 -4.59 116.66 113.44 1s26 n ARG 74 Ca -0.00 0.01 -0.10 0.00 -0.00 0.00 0.00 57.85 57.76 1s26 n ARG 74 Cb 0.64 -1.05 -0.03 0.00 0.00 0.00 0.00 32.46 32.03 1s26 n ARG 74 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1s26 h LYS 75 N 0.00 0.38 -1.79 -0.14 3.11 -1.52 -2.41 116.57 114.20 1s26 h LYS 75 Ca -0.05 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 1s26 h LYS 75 Cb 1.09 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.25 1s26 h LYS 75 CO -0.01 0.33 0.00 -1.33 -2.81 0.00 0.00 179.45 175.64 1s26 n MET 76 N -4.83 0.35 0.00 1.90 2.81 -0.87 -3.87 117.12 112.60 1s26 n MET 76 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1s26 n MET 76 Cb 0.08 -1.32 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 1s26 n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1s26 n LYS 77 N 1.22 0.00 0.08 0.03 3.00 -0.91 -4.48 118.16 117.11 1s26 n LYS 77 Ca 0.00 0.01 -0.07 0.00 -0.00 0.00 0.00 58.31 58.24 1s26 n LYS 77 Cb 0.18 -0.12 0.04 0.00 0.00 0.00 0.00 35.03 35.12 1s26 n LYS 77 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1s26 h ASP 78 N 0.00 0.28 -0.11 3.14 1.82 -1.80 -3.20 116.42 116.55 1s26 h ASP 78 Ca 0.00 -0.20 0.03 0.00 -0.39 0.00 0.00 57.03 56.48 1s26 h ASP 78 Cb 0.00 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 39.92 1s26 h ASP 78 CO 0.00 0.94 0.09 0.00 -1.61 0.00 0.00 179.24 178.66 1s26 h THR 79 N 0.14 0.83 0.00 2.25 1.03 -1.86 -2.93 112.91 112.37 1s26 h THR 79 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.37 1s26 h THR 79 Cb 1.35 0.94 0.00 0.00 -1.07 0.00 0.00 68.15 69.37 1s26 h THR 79 CO 0.12 0.00 0.00 -0.67 -0.01 0.00 0.00 175.52 174.96 1s26 n ASP 80 N -4.34 0.00 -0.03 0.00 2.03 -1.21 -3.22 116.55 109.79 1s26 n ASP 80 Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1s26 n ASP 80 Cb 0.20 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 1s26 n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1s26 n SER 81 N -0.84 0.00 -0.31 1.67 7.64 -1.11 -3.37 113.62 117.31 1s26 n SER 81 Ca 0.00 -0.08 0.19 0.00 1.01 0.00 0.00 58.87 59.99 1s26 n SER 81 Cb 0.00 -0.00 0.45 0.00 -1.01 0.00 0.00 64.21 63.65 1s26 n SER 81 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1s26 h GLU 82 N 0.05 0.49 -0.10 1.43 4.81 -1.88 -1.06 114.58 118.33 1s26 h GLU 82 Ca 0.00 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1s26 h GLU 82 Cb 0.00 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1s26 h GLU 82 CO 0.00 0.33 -0.05 0.93 -0.73 0.00 0.00 179.01 179.48 1s26 h GLU 83 N 0.51 -0.05 -0.53 1.92 4.39 -1.92 -1.39 114.58 117.51 1s26 h GLU 83 Ca 0.57 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.24 1s26 h GLU 83 Cb 1.25 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 1s26 h GLU 83 CO -0.30 -0.03 0.21 0.93 -1.16 0.00 0.00 179.01 178.66 1s26 h GLU 84 N -0.05 0.80 -0.42 2.33 3.07 -1.52 -1.77 114.58 117.01 1s26 h GLU 84 Ca 0.06 -0.14 0.06 0.00 -0.50 0.00 0.00 59.36 58.84 1s26 h GLU 84 Cb 0.13 -0.13 -0.06 0.00 -0.84 0.00 0.00 28.75 27.86 1s26 h GLU 84 CO -0.13 0.70 0.10 0.82 -1.40 0.00 0.00 179.01 179.10 1s26 h ILE 85 N 0.72 0.80 -0.71 3.13 2.04 -1.13 0.48 117.51 122.84 1s26 h ILE 85 Ca 0.18 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 1s26 h ILE 85 Cb 0.20 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1s26 h ILE 85 CO -0.01 0.04 0.25 -0.09 0.00 0.00 0.00 178.15 178.34 1s26 h ARG 86 N 0.24 1.07 -0.11 2.37 2.43 -1.09 0.13 114.38 119.42 1s26 h ARG 86 Ca 0.21 -0.20 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 1s26 h ARG 86 Cb 0.24 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1s26 h ARG 86 CO -0.26 0.89 -0.41 0.93 -1.51 0.00 0.00 179.97 179.62 1s26 h GLU 87 N 1.04 0.25 -0.00 0.20 5.08 -0.35 -2.77 114.58 118.03 1s26 h GLU 87 Ca 0.24 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1s26 h GLU 87 Cb 0.24 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1s26 h GLU 87 CO -0.01 0.62 0.00 0.00 -1.00 0.00 0.00 179.01 178.61 1s26 h ALA 88 N 1.37 0.01 -0.89 3.43 0.00 0.95 -2.61 119.26 121.53 1s26 h ALA 88 Ca 0.02 -0.11 0.20 0.00 0.00 0.00 0.00 54.91 55.01 1s26 h ALA 88 Cb 0.81 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.48 1s26 h ALA 88 CO 0.06 -0.38 0.43 0.35 0.00 0.00 0.00 179.25 179.71 1s26 h PHE 89 N -0.21 0.73 0.00 0.00 3.57 -0.58 0.28 116.94 120.72 1s26 h PHE 89 Ca 0.00 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1s26 h PHE 89 Cb 0.22 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1s26 h PHE 89 CO -0.00 0.05 -0.18 0.00 -2.23 0.00 0.00 178.31 175.95 1s26 h ARG 90 N 0.50 0.00 -0.32 1.11 3.08 -1.20 -2.53 114.38 115.02 1s26 h ARG 90 Ca 0.53 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.50 1s26 h ARG 90 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 1s26 h ARG 90 CO -0.46 0.18 -0.13 0.28 -1.07 0.00 0.00 179.97 178.76 1s26 h VAL 91 N 0.00 1.29 0.02 2.04 2.07 -0.09 -3.28 116.25 118.30 1s26 h VAL 91 Ca -0.00 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 1s26 h VAL 91 Cb 0.44 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1s26 h VAL 91 CO 0.02 0.40 -0.01 -0.26 0.02 0.00 0.00 177.57 177.74 1s26 h PHE 92 N 0.43 -0.02 -0.09 1.57 -1.00 -1.26 -3.38 116.94 113.18 1s26 h PHE 92 Ca 0.07 -0.00 -0.43 0.00 2.81 0.00 0.00 57.97 60.43 1s26 h PHE 92 Cb 0.65 0.01 0.06 0.00 3.61 0.00 0.00 35.95 40.28 1s26 h PHE 92 CO 0.06 0.23 1.21 -3.47 -1.61 0.00 0.00 178.31 174.73 1s26 n ASP 93 N -4.98 1.73 0.22 2.17 2.03 -0.98 -4.76 116.55 111.97 1s26 n ASP 93 Ca -0.08 -2.57 0.13 0.00 0.52 0.00 0.00 54.79 52.79 1s26 n ASP 93 Cb 0.15 -1.12 0.73 0.00 -0.72 0.00 0.00 41.12 40.16 1s26 n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1s26 h LYS 94 N 9.88 0.00 -0.28 -0.67 1.57 -1.81 -1.98 116.57 123.27 1s26 h LYS 94 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1s26 h LYS 94 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1s26 h LYS 94 CO 1.66 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 180.14 1s26 n ASP 95 N -4.27 2.96 -3.87 0.86 5.75 -1.26 -4.97 116.55 111.74 1s26 n ASP 95 Ca -0.00 -1.92 -0.26 0.00 -0.01 0.00 0.00 54.79 52.60 1s26 n ASP 95 Cb 0.20 -0.18 0.01 0.00 -1.03 0.00 0.00 41.12 40.12 1s26 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s26 n GLY 96 N 1.40 -0.33 0.29 6.12 0.00 -0.75 -4.87 105.19 107.06 1s26 n GLY 96 Ca 0.18 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.46 1s26 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1s26 n ASN 97 N -2.95 1.55 0.00 1.61 6.94 -1.26 -4.96 115.26 116.19 1s26 n ASN 97 Ca -0.20 -1.24 0.00 0.00 -0.02 0.00 0.00 54.58 53.12 1s26 n ASN 97 Cb 0.63 0.61 0.00 0.00 -2.36 0.00 0.00 39.78 38.66 1s26 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1s26 n GLY 98 N 1.44 0.75 3.19 4.83 0.00 -1.26 -5.05 105.19 109.09 1s26 n GLY 98 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 1s26 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s26 s TYR 99 N -2.68 1.40 -0.31 1.61 1.51 -1.26 -4.15 117.35 113.47 1s26 s TYR 99 Ca 0.00 -0.40 -0.13 0.00 -1.01 0.00 0.00 57.07 55.53 1s26 s TYR 99 Cb 0.00 -0.81 -0.03 0.00 -0.11 0.00 0.00 41.96 41.02 1s26 s TYR 99 CO 0.00 0.08 0.26 0.42 -1.11 0.00 0.00 175.55 175.21 1s26 s ILE 100 N -1.04 5.26 0.30 2.71 1.01 0.22 -4.68 121.20 124.98 1s26 s ILE 100 Ca 0.02 0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.75 1s26 s ILE 100 Cb -0.09 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 1s26 s ILE 100 CO 0.02 0.07 0.45 -0.94 0.00 0.00 0.00 174.94 174.55 1s26 s SER 101 N 1.73 6.17 0.15 3.58 1.04 -1.26 -1.42 113.70 123.69 1s26 s SER 101 Ca 0.08 0.08 -0.17 0.00 0.48 0.00 0.00 55.95 56.42 1s26 s SER 101 Cb -0.17 -1.68 0.05 0.00 0.10 0.00 0.00 66.02 64.32 1s26 s SER 101 CO 0.11 -0.27 1.71 0.00 0.98 0.00 0.00 173.24 175.77 1s26 h ALA 102 N 0.95 0.29 -0.49 5.32 0.00 -1.93 -1.10 119.26 122.30 1s26 h ALA 102 Ca -0.49 0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.60 1s26 h ALA 102 Cb 1.24 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 19.10 1s26 h ALA 102 CO 0.58 -0.40 0.03 0.00 0.00 0.00 0.00 179.25 179.46 1s26 h ALA 103 N 1.27 0.49 -0.48 0.00 0.00 -1.97 -1.01 119.26 117.56 1s26 h ALA 103 Ca 0.15 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1s26 h ALA 103 Cb 0.20 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1s26 h ALA 103 CO -0.25 -0.37 0.12 0.93 0.00 0.00 0.00 179.25 179.68 1s26 h GLU 104 N 0.15 0.73 -0.56 0.00 5.08 -1.75 -2.22 114.58 116.01 1s26 h GLU 104 Ca 0.25 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1s26 h GLU 104 Cb 0.36 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1s26 h GLU 104 CO -0.38 0.65 0.10 1.25 -1.00 0.00 0.00 179.01 179.64 1s26 h LEU 105 N 0.71 0.83 0.08 1.33 6.46 0.00 -2.17 115.31 122.54 1s26 h LEU 105 Ca 0.16 -0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1s26 h LEU 105 Cb 0.25 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1s26 h LEU 105 CO -0.00 0.83 -0.04 -0.09 -0.62 0.00 0.00 178.44 178.51 1s26 h ARG 106 N 0.84 -0.11 0.15 1.25 2.43 -0.64 -0.99 114.38 117.30 1s26 h ARG 106 Ca 0.18 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1s26 h ARG 106 Cb 0.35 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 1s26 h ARG 106 CO 0.00 -0.05 -0.49 0.45 -1.51 0.00 0.00 179.97 178.37 1s26 h HIS 107 N -0.13 -1.43 -1.00 2.20 3.86 -1.21 0.61 115.15 118.05 1s26 h HIS 107 Ca -0.01 0.04 0.17 0.00 -1.16 0.00 0.00 60.37 59.41 1s26 h HIS 107 Cb 0.10 0.60 -0.10 0.00 1.06 0.00 0.00 27.41 29.07 1s26 h HIS 107 CO -0.07 -0.57 0.61 0.28 0.86 0.00 0.00 177.93 179.05 1s26 h VAL 108 N -0.73 0.75 0.10 2.45 2.07 -1.37 -1.42 116.25 118.11 1s26 h VAL 108 Ca -0.01 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1s26 h VAL 108 Cb 0.72 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1s26 h VAL 108 CO -0.25 0.15 -0.05 0.24 0.02 0.00 0.00 177.57 177.68 1s26 h MET 109 N 0.81 -0.13 -0.92 1.57 2.07 0.00 -2.97 114.93 115.37 1s26 h MET 109 Ca 0.56 0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 58.19 1s26 h MET 109 Cb 0.81 0.03 -0.04 0.00 -1.87 0.00 0.00 31.60 30.52 1s26 h MET 109 CO -0.36 0.32 0.53 1.79 1.07 0.00 0.00 176.91 180.26 1s26 h THR 110 N -0.64 1.26 0.00 2.22 1.35 0.46 -1.62 112.91 115.93 1s26 h THR 110 Ca -0.01 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1s26 h THR 110 Cb 0.51 -0.01 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 1s26 h THR 110 CO 0.02 0.28 0.00 0.78 -0.25 0.00 0.00 175.52 176.36 1s26 h ASN 111 N 1.28 0.00 -0.01 5.36 2.35 -1.34 -0.35 115.58 122.88 1s26 h ASN 111 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1s26 h ASN 111 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1s26 h ASN 111 CO -0.06 0.00 -0.03 0.18 -1.65 0.00 0.00 177.43 175.88 1s26 n LEU 112 N -3.08 2.21 0.00 1.61 4.77 -0.64 -4.99 117.00 116.89 1s26 n LEU 112 Ca -0.01 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1s26 n LEU 112 Cb 0.19 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1s26 n LEU 112 CO 0.24 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1s26 n GLY 113 N 1.27 2.51 3.52 -0.72 0.00 -0.14 -5.04 105.19 106.59 1s26 n GLY 113 Ca 0.16 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 1s26 n GLY 113 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1s26 n GLU 114 N 0.00 0.68 -2.76 1.61 4.07 -1.21 -4.77 120.64 118.25 1s26 n GLU 114 Ca 0.00 0.02 -0.41 0.00 -0.06 0.00 0.00 57.16 56.71 1s26 n GLU 114 Cb 0.00 -2.66 -0.04 0.00 -0.06 0.00 0.00 31.44 28.68 1s26 n GLU 114 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1s26 s LYS 115 N 8.36 4.61 0.15 5.31 -0.14 -1.26 -3.44 119.74 133.32 1s26 s LYS 115 Ca 1.13 1.37 0.07 0.00 -1.36 0.00 0.00 55.97 57.18 1s26 s LYS 115 Cb -0.62 -3.42 -0.04 0.00 -1.68 0.00 0.00 37.83 32.07 1s26 s LYS 115 CO 0.36 0.09 -0.15 -0.51 -0.76 0.00 0.00 175.35 174.38 1s26 s LEU 116 N 0.48 2.45 0.19 3.17 1.43 -1.26 -5.04 118.68 120.09 1s26 s LEU 116 Ca 0.48 -0.88 -0.14 0.00 -1.03 0.00 0.00 54.13 52.56 1s26 s LEU 116 Cb -0.22 -0.66 -0.07 0.00 0.03 0.00 0.00 46.19 45.27 1s26 s LEU 116 CO 0.28 -0.12 0.59 0.42 0.23 0.00 0.00 176.35 177.75 1s26 s THR 117 N -2.31 4.81 0.61 5.49 -4.23 -1.26 -4.90 115.64 113.84 1s26 s THR 117 Ca 0.14 0.85 0.26 0.00 -1.18 0.00 0.00 61.69 61.76 1s26 s THR 117 Cb -0.04 -3.72 0.34 0.00 1.34 0.00 0.00 72.50 70.42 1s26 s THR 117 CO 0.05 0.15 1.66 0.44 -0.54 0.00 0.00 174.62 176.38 1s26 h ASP 118 N 3.26 0.00 0.56 3.99 3.45 -2.01 0.14 116.42 125.82 1s26 h ASP 118 Ca -0.48 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 56.95 1s26 h ASP 118 Cb 1.19 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.96 1s26 h ASP 118 CO 0.66 0.00 -0.27 -0.33 -1.57 0.00 0.00 179.24 177.73 1s26 h GLU 119 N 0.00 -0.73 -0.38 3.56 4.39 -1.99 -2.89 114.58 116.54 1s26 h GLU 119 Ca 0.24 0.05 0.06 0.00 0.34 0.00 0.00 59.36 60.05 1s26 h GLU 119 Cb 1.65 0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 30.41 1s26 h GLU 119 CO -0.00 -0.48 0.06 0.93 -1.16 0.00 0.00 179.01 178.36 1s26 h GLU 120 N -1.20 0.18 0.18 2.33 5.08 -1.16 -2.47 114.58 117.53 1s26 h GLU 120 Ca -0.08 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1s26 h GLU 120 Cb 0.58 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1s26 h GLU 120 CO 0.13 0.12 -0.46 0.28 -1.00 0.00 0.00 179.01 178.08 1s26 h VAL 121 N 0.19 0.10 0.00 3.13 2.07 -1.33 0.10 116.25 120.51 1s26 h VAL 121 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1s26 h VAL 121 Cb 0.23 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1s26 h VAL 121 CO -0.25 0.00 0.05 0.47 0.02 0.00 0.00 177.57 177.86 1s26 n ASP 122 N -5.49 0.50 0.12 0.57 8.00 -1.09 -0.42 116.55 118.75 1s26 n ASP 122 Ca -0.08 0.72 -0.22 0.00 0.71 0.00 0.00 54.79 55.92 1s26 n ASP 122 Cb 0.40 -0.77 -0.15 0.00 -0.02 0.00 0.00 41.12 40.58 1s26 n ASP 122 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1s26 h GLU 123 N 0.00 0.44 -0.22 -1.24 4.39 -0.36 -2.98 114.58 114.61 1s26 h GLU 123 Ca 0.00 -0.75 -0.05 0.00 0.34 0.00 0.00 59.36 58.90 1s26 h GLU 123 Cb 0.10 0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1s26 h GLU 123 CO 0.00 1.35 -0.06 0.52 -1.16 0.00 0.00 179.01 179.66 1s26 h MET 124 N 0.12 0.43 -0.30 2.33 2.86 0.30 -2.07 114.93 118.61 1s26 h MET 124 Ca -0.24 -0.17 0.01 0.00 -2.06 0.00 0.00 59.70 57.24 1s26 h MET 124 Cb 2.11 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.73 1s26 h MET 124 CO 0.24 0.68 0.17 0.82 1.06 0.00 0.00 176.91 179.88 1s26 h ILE 125 N 0.15 1.03 0.00 -1.22 1.08 -1.48 -2.23 117.51 114.84 1s26 h ILE 125 Ca 0.05 -0.12 -0.02 0.00 -0.39 0.00 0.00 64.86 64.38 1s26 h ILE 125 Cb 0.53 0.65 -0.00 0.00 -3.07 0.00 0.00 36.82 34.92 1s26 h ILE 125 CO 0.02 0.06 -0.10 -0.09 -0.69 0.00 0.00 178.15 177.36 1s26 h ARG 126 N 0.35 0.00 0.10 2.37 2.43 -1.48 0.32 114.38 118.48 1s26 h ARG 126 Ca 0.12 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.07 1s26 h ARG 126 Cb -0.00 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1s26 h ARG 126 CO -0.06 0.10 -0.89 0.93 -1.51 0.00 0.00 179.97 178.54 1s26 h GLU 127 N 0.00 0.42 0.00 0.20 4.39 -0.86 -3.29 114.58 115.45 1s26 h GLU 127 Ca -0.00 -0.59 -0.12 0.00 0.34 0.00 0.00 59.36 58.98 1s26 h GLU 127 Cb 0.37 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1s26 h GLU 127 CO 0.01 1.25 -0.59 0.00 -1.16 0.00 0.00 179.01 178.53 1s26 h ALA 128 N 0.20 0.87 -2.70 3.43 0.00 -1.07 -3.44 119.26 116.56 1s26 h ALA 128 Ca -0.14 -0.53 -0.53 0.00 0.00 0.00 0.00 54.91 53.71 1s26 h ALA 128 Cb 1.64 -0.09 0.06 0.00 0.00 0.00 0.00 17.79 19.40 1s26 h ALA 128 CO 0.17 0.73 0.87 0.34 0.00 0.00 0.00 179.25 181.36 1s26 s ASP 129 N -6.67 6.52 -0.06 0.00 -1.08 0.11 -4.84 116.67 110.65 1s26 s ASP 129 Ca -0.00 2.75 0.03 0.00 -0.52 0.00 0.00 52.55 54.81 1s26 s ASP 129 Cb 0.11 -2.61 -0.06 0.00 -1.46 0.00 0.00 42.92 38.90 1s26 s ASP 129 CO 0.75 -0.84 -0.02 -0.38 0.52 0.00 0.00 175.17 175.20 1s26 n ILE 130 N 3.10 0.38 -0.18 4.11 5.41 -1.26 -4.65 119.36 126.27 1s26 n ILE 130 Ca 0.11 -0.19 0.12 0.00 1.00 0.00 0.00 62.75 63.79 1s26 n ILE 130 Cb 0.38 -0.80 0.30 0.00 -0.71 0.00 0.00 39.64 38.81 1s26 n ILE 130 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1s26 n ASP 131 N -2.44 3.82 -3.24 4.38 5.75 -1.26 -4.98 116.55 118.58 1s26 n ASP 131 Ca -0.10 -2.00 -0.23 0.00 -0.01 0.00 0.00 54.79 52.44 1s26 n ASP 131 Cb 0.65 -0.43 0.05 0.00 -1.03 0.00 0.00 41.12 40.36 1s26 n ASP 131 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s26 n GLY 132 N 1.63 -0.53 0.85 6.12 0.00 -1.26 -4.90 105.19 107.10 1s26 n GLY 132 Ca 0.23 0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.54 1s26 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s26 n ASP 133 N -2.68 2.55 0.00 1.61 5.75 -1.26 -4.92 116.55 117.60 1s26 n ASP 133 Ca -0.07 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 1s26 n ASP 133 Cb 0.60 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1s26 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s26 n GLY 134 N 1.31 0.96 3.22 6.12 0.00 -1.26 -5.00 105.19 110.54 1s26 n GLY 134 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1s26 n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1s26 s GLN 135 N -0.07 1.08 -0.19 1.61 -2.07 -1.26 -4.69 119.66 114.05 1s26 s GLN 135 Ca 0.00 -1.52 -0.02 0.00 -1.82 0.00 0.00 55.36 52.00 1s26 s GLN 135 Cb 0.00 -0.10 -0.00 0.00 -1.09 0.00 0.00 33.01 31.81 1s26 s GLN 135 CO 0.00 -0.19 -0.09 0.08 -1.32 0.00 0.00 175.29 173.77 1s26 s VAL 136 N -3.79 3.06 0.49 3.63 1.01 -0.51 -4.75 120.40 119.55 1s26 s VAL 136 Ca 0.25 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1s26 s VAL 136 Cb 0.07 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 34.11 1s26 s VAL 136 CO 0.04 0.47 0.69 0.54 0.00 0.00 0.00 175.10 176.84 1s26 s ASN 137 N 1.21 5.48 0.23 3.32 2.20 -1.26 0.70 114.94 126.81 1s26 s ASN 137 Ca 0.02 -0.08 -0.07 0.00 -0.94 0.00 0.00 52.86 51.79 1s26 s ASN 137 Cb -0.14 -0.92 0.37 0.00 -2.00 0.00 0.00 41.25 38.55 1s26 s ASN 137 CO -0.03 -0.95 1.72 0.22 -2.94 0.00 0.00 177.10 175.11 1s26 h TYR 138 N 0.30 0.37 -0.33 1.54 3.20 -1.99 -0.00 116.97 120.05 1s26 h TYR 138 Ca -0.42 0.04 0.07 0.00 3.14 0.00 0.00 58.73 61.55 1s26 h TYR 138 Cb 1.28 -0.06 -0.08 0.00 1.54 0.00 0.00 36.73 39.41 1s26 h TYR 138 CO 0.39 0.03 -0.38 0.93 -1.64 0.00 0.00 178.16 177.49 1s26 h GLU 139 N 0.36 -0.32 0.17 1.82 3.07 -1.95 0.14 114.58 117.87 1s26 h GLU 139 Ca 0.36 0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.24 1s26 h GLU 139 Cb 0.53 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 1s26 h GLU 139 CO -0.39 -0.21 -0.12 0.93 -1.40 0.00 0.00 179.01 177.82 1s26 h GLU 140 N -0.33 -0.27 -0.99 2.33 5.08 -1.72 -1.94 114.58 116.73 1s26 h GLU 140 Ca 0.14 0.02 0.27 0.00 -1.00 0.00 0.00 59.36 58.79 1s26 h GLU 140 Cb 0.57 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 1s26 h GLU 140 CO -0.51 -0.18 0.69 0.35 -1.00 0.00 0.00 179.01 178.36 1s26 h PHE 141 N -0.28 0.19 -0.02 4.33 3.57 -0.30 0.12 116.94 124.56 1s26 h PHE 141 Ca -0.01 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1s26 h PHE 141 Cb 0.25 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 1s26 h PHE 141 CO -0.10 0.03 -0.02 0.28 -2.23 0.00 0.00 178.31 176.27 1s26 h VAL 142 N 0.13 1.41 0.21 1.41 2.07 0.02 -2.64 116.25 118.86 1s26 h VAL 142 Ca 0.49 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1s26 h VAL 142 Cb 1.72 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 33.68 1s26 h VAL 142 CO -0.08 0.33 -0.44 1.56 0.02 0.00 0.00 177.57 178.95 1s26 h GLN 143 N -0.47 -0.68 0.00 1.57 1.08 -0.43 0.38 115.11 116.56 1s26 h GLN 143 Ca 0.00 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1s26 h GLN 143 Cb 0.55 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1s26 h GLN 143 CO 0.00 -0.46 0.49 1.98 -0.95 0.00 0.00 178.83 179.90 1s26 h MET 144 N -0.71 0.00 0.00 1.46 4.05 -1.16 0.25 114.93 118.81 1s26 h MET 144 Ca -0.02 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.19 1s26 h MET 144 Cb 0.68 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.44 1s26 h MET 144 CO -0.18 0.00 -2.10 -0.12 0.23 0.00 0.00 176.91 174.74 1s26 n MET 145 N -2.79 0.89 0.00 0.39 0.00 -0.25 -4.80 117.12 110.56 1s26 n MET 145 Ca -0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 57.70 57.61 1s26 n MET 145 Cb 0.53 -1.46 0.00 0.00 0.00 0.00 0.00 33.22 32.29 1s26 n MET 145 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1s26 n THR 146 N -2.48 0.00 0.00 1.12 -2.24 0.12 -5.08 114.28 105.71 1s26 n THR 146 Ca -0.20 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1s26 n THR 146 Cb 0.87 -1.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 1s26 n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50