#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 -0.10 -0.85 -0.78 5.08 -2.04 -2.27 114.58 113.62 1s26 h GLU 6 Ca 0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1s26 h GLU 6 Cb 0.00 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1s26 h GLU 6 CO 0.00 0.11 0.48 0.93 -1.00 0.00 0.00 179.01 179.53 1s26 h GLU 7 N -0.30 1.17 -0.12 2.33 5.08 -2.04 0.55 114.58 121.25 1s26 h GLU 7 Ca -0.01 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1s26 h GLU 7 Cb 0.26 -0.24 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 1s26 h GLU 7 CO 0.02 0.85 -0.41 1.96 -1.00 0.00 0.00 179.01 180.43 1s26 h GLN 8 N 1.18 -0.47 -0.31 2.33 1.08 -1.94 1.61 115.11 118.59 1s26 h GLN 8 Ca 0.30 0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.46 1s26 h GLN 8 Cb 0.01 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 1s26 h GLN 8 CO -0.05 -0.31 -0.13 0.82 -0.95 0.00 0.00 178.83 178.21 1s26 h ILE 9 N -0.49 1.24 -0.60 2.54 2.04 -0.97 -2.72 117.51 118.55 1s26 h ILE 9 Ca 0.08 -1.06 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 1s26 h ILE 9 Cb 0.62 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1s26 h ILE 9 CO -0.39 0.35 0.24 0.00 0.00 0.00 0.00 178.15 178.35 1s26 h ALA 10 N 1.38 0.78 0.37 1.87 0.00 0.21 -2.18 119.26 121.69 1s26 h ALA 10 Ca 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1s26 h ALA 10 Cb 0.52 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1s26 h ALA 10 CO 0.03 0.40 -0.18 0.93 0.00 0.00 0.00 179.25 180.44 1s26 h GLU 11 N 0.84 -0.48 -0.08 0.00 5.08 0.25 0.17 114.58 120.37 1s26 h GLU 11 Ca 0.20 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1s26 h GLU 11 Cb 0.21 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1s26 h GLU 11 CO -0.02 -0.32 -0.12 0.74 -1.00 0.00 0.00 179.01 178.29 1s26 h PHE 12 N -0.50 -0.37 -1.24 4.33 0.04 -1.55 0.15 116.94 117.80 1s26 h PHE 12 Ca -0.05 0.02 0.36 0.00 2.80 0.00 0.00 57.97 61.09 1s26 h PHE 12 Cb 0.38 0.17 -0.07 0.00 2.20 0.00 0.00 35.95 38.64 1s26 h PHE 12 CO 0.15 -0.11 0.87 -0.22 -0.60 0.00 0.00 178.31 178.39 1s26 h LYS 13 N -0.10 0.08 -0.30 1.51 3.64 -1.48 0.28 116.57 120.21 1s26 h LYS 13 Ca 0.01 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1s26 h LYS 13 Cb 0.13 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1s26 h LYS 13 CO -0.12 0.05 0.08 1.49 -2.27 0.00 0.00 179.45 178.68 1s26 h GLU 14 N 0.08 0.48 0.00 1.90 4.22 0.22 -3.09 114.58 118.39 1s26 h GLU 14 Ca 0.62 -0.11 -0.15 0.00 0.08 0.00 0.00 59.36 59.81 1s26 h GLU 14 Cb 2.28 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 31.44 1s26 h GLU 14 CO -0.10 0.54 -0.70 0.00 -2.18 0.00 0.00 179.01 176.58 1s26 h ALA 15 N 0.91 0.60 -0.13 2.92 0.00 -0.17 -3.29 119.26 120.10 1s26 h ALA 15 Ca 0.10 -0.63 0.04 0.00 0.00 0.00 0.00 54.91 54.41 1s26 h ALA 15 Cb 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1s26 h ALA 15 CO -0.00 0.87 0.39 0.35 0.00 0.00 0.00 179.25 180.86 1s26 h PHE 16 N 0.00 0.00 -0.02 0.00 3.57 -1.13 0.16 116.94 119.52 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 1.46 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.20 1s26 h PHE 16 CO 0.00 0.00 -0.15 0.43 -2.23 0.00 0.00 178.31 176.36 1s26 n SER 17 N -3.13 2.17 0.19 0.41 7.64 -1.24 -4.42 113.62 115.25 1s26 n SER 17 Ca 0.01 -1.59 0.05 0.00 1.01 0.00 0.00 58.87 58.35 1s26 n SER 17 Cb 0.48 0.19 0.39 0.00 -1.01 0.00 0.00 64.21 64.27 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 2.87 0.00 -6.43 -3.43 6.46 -0.83 -3.38 115.31 110.57 1s26 h LEU 18 Ca 0.00 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 57.43 1s26 h LEU 18 Cb 0.68 0.00 -0.32 0.00 -0.73 0.00 0.00 40.66 40.29 1s26 h LEU 18 CO 0.00 0.36 -0.64 0.12 -0.62 0.00 0.00 178.44 177.65 1s26 s PHE 19 N -3.98 -0.46 -0.51 1.25 2.19 -1.26 -5.04 117.98 110.17 1s26 s PHE 19 Ca -0.02 -0.36 0.07 0.00 0.33 0.00 0.00 56.93 56.95 1s26 s PHE 19 Cb 0.13 -0.41 0.20 0.00 -1.31 0.00 0.00 43.02 41.63 1s26 s PHE 19 CO 0.70 -0.95 0.75 -3.47 1.83 0.00 0.00 175.22 174.08 1s26 n ASP 20 N 4.93 -3.21 -2.08 6.13 4.64 -1.26 -4.97 116.55 120.73 1s26 n ASP 20 Ca 0.03 -2.99 -0.04 0.00 -1.38 0.00 0.00 54.79 50.41 1s26 n ASP 20 Cb 0.46 1.68 -0.05 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 2.62 0.78 0.00 -0.67 0.00 -1.26 -1.83 118.16 117.80 1s26 n LYS 21 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 58.31 58.17 1s26 n LYS 21 Cb 0.57 -1.56 0.00 0.00 0.00 0.00 0.00 35.03 34.04 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 2.39 2.13 0.00 3.14 4.64 -1.26 -5.03 116.55 122.56 1s26 n ASP 22 Ca 0.13 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.54 1s26 n ASP 22 Cb 0.36 0.18 0.00 0.00 -1.04 0.00 0.00 41.12 40.63 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 1.73 2.44 1.74 0.27 0.00 -0.76 -4.77 105.19 105.85 1s26 n GLY 23 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.15 4.70 -3.94 1.61 8.00 -1.26 -4.92 116.55 120.89 1s26 n ASP 24 Ca 0.00 -2.90 -0.26 0.00 0.71 0.00 0.00 54.79 52.35 1s26 n ASP 24 Cb 0.00 -0.68 -0.01 0.00 -0.02 0.00 0.00 41.12 40.40 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 0.24 -0.26 2.33 0.44 0.00 -1.26 -4.91 105.19 101.76 1s26 n GLY 25 Ca 0.29 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 46.25 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 -4.39 -0.50 -0.27 2.61 -2.24 -1.22 -3.32 114.28 104.95 1s26 n THR 26 Ca -0.27 -3.44 0.00 0.00 -2.27 0.00 0.00 64.05 58.07 1s26 n THR 26 Cb 0.67 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 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 1.37 0.00 -4.34 2.28 -5.35 0.57 -4.25 119.36 109.65 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 -0.98 -0.09 0.00 -1.74 0.00 0.00 39.64 37.40 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 -0.55 2.22 -1.67 7.28 -4.23 -1.26 0.51 115.64 117.94 1s26 s THR 28 Ca 0.00 -1.84 0.26 0.00 -1.18 0.00 0.00 61.69 58.93 1s26 s THR 28 Cb 0.00 -2.98 0.59 0.00 1.34 0.00 0.00 72.50 71.45 1s26 s THR 28 CO 0.00 -0.02 1.91 0.41 -0.54 0.00 0.00 174.62 176.38 1s26 n THR 29 N -1.11 0.10 0.15 3.99 -1.04 -1.19 -2.15 114.28 113.02 1s26 n THR 29 Ca -0.03 0.02 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1s26 n THR 29 Cb 0.65 -0.60 0.19 0.00 -1.82 0.00 0.00 70.33 68.75 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 -1.95 -3.27 116.57 110.10 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 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1s26 h LYS 30 CO 0.00 0.56 -0.18 -0.85 -0.57 0.00 0.00 179.45 178.41 1s26 n GLU 31 N -3.59 3.70 -0.33 3.15 0.28 -1.05 -4.62 120.64 118.17 1s26 n GLU 31 Ca -0.00 -0.24 0.10 0.00 -0.16 0.00 0.00 57.16 56.85 1s26 n GLU 31 Cb 0.62 -0.86 0.27 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 0.34 0.73 -0.45 -1.84 5.85 -1.48 0.33 115.31 118.78 1s26 h LEU 32 Ca 0.00 0.08 -0.17 0.00 0.84 0.00 0.00 57.88 58.63 1s26 h LEU 32 Cb 0.16 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1s26 h LEU 32 CO 0.00 0.30 -0.74 1.23 -0.34 0.00 0.00 178.44 178.89 1s26 h GLY 33 N 0.76 0.29 2.00 3.75 0.00 -1.82 -2.32 103.07 105.73 1s26 h GLY 33 Ca 0.52 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 1s26 h GLY 33 CO -0.35 0.38 -0.08 -0.84 0.00 0.00 0.00 176.54 175.64 1s26 h THR 34 N 0.17 0.99 0.00 4.70 2.02 -0.72 -2.35 112.91 117.73 1s26 h THR 34 Ca -0.03 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 1s26 h THR 34 Cb 1.31 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1s26 h THR 34 CO 0.12 0.08 -0.19 0.58 0.37 0.00 0.00 175.52 176.47 1s26 h VAL 35 N 0.00 1.23 -0.04 3.16 2.07 -0.79 -2.97 116.25 118.91 1s26 h VAL 35 Ca -0.00 -1.99 0.01 0.00 0.82 0.00 0.00 66.70 65.54 1s26 h VAL 35 Cb 0.15 2.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1s26 h VAL 35 CO 0.01 0.42 0.23 0.24 0.02 0.00 0.00 177.57 178.49 1s26 h MET 36 N -1.00 0.00 0.05 1.57 2.86 -1.29 -1.76 114.93 115.37 1s26 h MET 36 Ca -0.05 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.23 1s26 h MET 36 Cb 0.81 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.43 1s26 h MET 36 CO -0.03 0.00 -2.17 0.54 1.06 0.00 0.00 176.91 176.31 1s26 n ARG 37 N -3.08 0.70 0.00 1.72 1.74 -0.90 0.18 116.66 117.02 1s26 n ARG 37 Ca -0.01 0.20 0.09 0.00 -0.77 0.00 0.00 57.85 57.36 1s26 n ARG 37 Cb 0.30 -1.63 0.48 0.00 -1.02 0.00 0.00 32.46 30.58 1s26 n ARG 37 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1s26 n SER 38 N -3.28 0.00 -0.01 0.55 3.41 -0.85 -2.08 113.62 111.37 1s26 n SER 38 Ca -0.35 0.03 0.09 0.00 -0.26 0.00 0.00 58.87 58.38 1s26 n SER 38 Cb 1.04 -0.29 -0.13 0.00 -0.26 0.00 0.00 64.21 64.56 1s26 n SER 38 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1s26 n LEU 39 N -1.29 0.14 0.00 1.04 7.94 -0.72 -5.00 117.00 119.11 1s26 n LEU 39 Ca 0.09 -0.08 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1s26 n LEU 39 Cb 0.15 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.10 1s26 n LEU 39 CO 0.15 0.03 0.00 0.61 -1.11 0.00 0.00 177.39 177.07 1s26 n GLY 40 N 1.46 0.55 3.59 -3.96 0.00 -0.88 -5.09 105.19 100.86 1s26 n GLY 40 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 1.91 -0.40 1.61 -0.21 0.13 -4.99 119.66 117.71 1s26 s GLN 41 Ca 0.00 -2.10 0.09 0.00 0.02 0.00 0.00 55.36 53.37 1s26 s GLN 41 Cb 0.00 -1.39 0.27 0.00 1.00 0.00 0.00 33.01 32.89 1s26 s GLN 41 CO 0.00 -0.14 0.64 0.09 -2.12 0.00 0.00 175.29 173.76 1s26 n ASN 42 N -0.95 -0.17 -4.77 5.90 3.02 -1.26 -3.72 115.26 113.31 1s26 n ASN 42 Ca -0.06 -2.89 -0.38 0.00 -0.03 0.00 0.00 54.58 51.22 1s26 n ASN 42 Cb 0.67 -0.21 -0.01 0.00 -0.61 0.00 0.00 39.78 39.62 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 -1.17 3.80 0.37 3.52 0.04 -1.26 -5.03 135.00 135.28 1s26 s PRO 43 Ca 0.35 1.92 -0.13 0.00 0.04 0.00 0.00 61.00 63.19 1s26 s PRO 43 Cb 0.22 -2.53 -0.08 0.00 0.04 0.00 0.00 34.50 32.16 1s26 s PRO 43 CO -0.12 -0.56 0.76 -0.08 0.04 0.00 0.00 177.00 177.05 1s26 s THR 44 N -1.43 4.73 0.56 1.26 -1.32 -1.26 -4.89 115.64 113.30 1s26 s THR 44 Ca 0.61 0.78 0.30 0.00 -1.21 0.00 0.00 61.69 62.17 1s26 s THR 44 Cb -0.32 -3.68 0.44 0.00 -1.51 0.00 0.00 72.50 67.42 1s26 s THR 44 CO 0.40 -0.39 1.90 -0.33 -2.21 0.00 0.00 174.62 173.99 1s26 h GLU 45 N 1.66 0.00 -0.29 7.08 4.39 -1.97 0.92 114.58 126.37 1s26 h GLU 45 Ca -0.47 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.05 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 -0.50 0.00 -1.16 0.00 0.00 179.01 177.99 1s26 h ALA 46 N 1.53 0.45 -0.08 3.43 0.00 -2.00 -3.13 119.26 119.47 1s26 h ALA 46 Ca 0.33 -0.50 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 1s26 h ALA 46 Cb 1.44 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1s26 h ALA 46 CO -0.00 0.63 -0.78 0.93 0.00 0.00 0.00 179.25 180.03 1s26 h GLU 47 N 0.62 0.47 0.00 0.00 5.08 -1.26 -2.59 114.58 116.90 1s26 h GLU 47 Ca 0.02 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1s26 h GLU 47 Cb 1.11 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1s26 h GLU 47 CO 0.11 1.04 0.00 1.28 -1.00 0.00 0.00 179.01 180.45 1s26 n LEU 48 N -3.84 0.00 0.00 1.33 4.77 -0.32 -3.54 117.00 115.41 1s26 n LEU 48 Ca -0.05 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1s26 n LEU 48 Cb 0.74 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1s26 n LEU 48 CO 0.49 -0.13 0.00 0.00 -1.33 0.00 0.00 177.39 176.42 1s26 n GLN 49 N -1.20 0.00 -0.55 3.23 1.13 -1.01 -4.17 117.38 114.81 1s26 n GLN 49 Ca 0.06 0.00 0.43 0.00 -1.94 0.00 0.00 57.00 55.54 1s26 n GLN 49 Cb 0.07 -0.06 0.67 0.00 0.11 0.00 0.00 30.24 31.03 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 -1.56 0.05 0.10 1.08 5.68 -1.02 0.12 116.55 121.01 1s26 n ASP 50 Ca 0.00 0.94 -0.23 0.00 -0.50 0.00 0.00 54.79 55.00 1s26 n ASP 50 Cb 0.00 -0.47 -0.15 0.00 -1.14 0.00 0.00 41.12 39.36 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 0.45 -0.35 0.11 2.86 -1.84 -2.90 114.93 113.26 1s26 h MET 51 Ca 0.79 -0.77 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1s26 h MET 51 Cb 3.01 0.29 0.00 0.00 0.06 0.00 0.00 31.60 34.96 1s26 h MET 51 CO -0.12 1.36 0.00 1.51 1.06 0.00 0.00 176.91 180.72 1s26 n ILE 52 N -3.64 0.00 0.00 -1.22 0.13 0.31 -2.49 119.36 112.46 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 1.09 -0.25 0.00 0.00 -0.84 0.00 0.00 39.64 39.63 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 -0.16 3.04 0.00 9.51 5.15 -1.04 -4.48 115.26 127.28 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 0.09 0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.57 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 -1.65 0.00 -0.14 1.20 2.13 -1.04 -2.88 120.64 118.26 1s26 n GLU 54 Ca 0.00 0.45 -0.10 0.00 0.66 0.00 0.00 57.16 58.17 1s26 n GLU 54 Cb 0.32 -1.07 0.04 0.00 0.27 0.00 0.00 31.44 30.99 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 -2.09 6.31 3.04 -1.83 -3.21 116.25 119.74 1s26 h VAL 55 Ca 0.00 -1.36 -0.78 0.00 -1.01 0.00 0.00 66.70 63.56 1s26 h VAL 55 Cb 0.00 1.14 -0.28 0.00 -2.01 0.00 0.00 31.29 30.14 1s26 h VAL 55 CO 0.00 0.46 0.97 -0.67 -1.01 0.00 0.00 177.57 177.32 1s26 n ASP 56 N -4.11 7.32 0.00 3.17 4.64 -1.25 -4.63 116.55 121.70 1s26 n ASP 56 Ca 0.00 -3.78 0.01 0.00 -1.38 0.00 0.00 54.79 49.64 1s26 n ASP 56 Cb 0.45 -1.08 0.04 0.00 -1.04 0.00 0.00 41.12 39.49 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 -0.35 2.49 -0.11 -1.67 0.00 -1.14 -4.24 120.51 115.49 1s26 n ALA 57 Ca 0.50 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.84 1s26 n ALA 57 Cb 0.26 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 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 0.00 -1.29 0.00 0.00 3.58 -1.87 -3.47 116.42 113.37 1s26 h ASP 58 Ca 0.00 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1s26 h ASP 58 Cb 0.00 0.53 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1s26 h ASP 58 CO 0.00 -0.27 0.00 0.61 -2.88 0.00 0.00 179.24 176.70 1s26 n GLY 59 N -1.25 1.58 0.00 -0.78 0.00 -1.26 -5.01 105.19 98.46 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 1.12 0.00 1.61 4.13 -1.26 -5.04 115.26 115.82 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 0.03 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 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 1.82 0.75 3.62 7.41 0.00 -1.26 -5.05 105.19 112.48 1s26 n GLY 61 Ca 0.00 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 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 5.23 -0.25 2.61 -4.23 -1.26 -3.20 115.64 112.55 1s26 s THR 62 Ca 0.00 0.48 -0.06 0.00 -1.18 0.00 0.00 61.69 60.92 1s26 s THR 62 Cb 0.00 -3.65 -0.02 0.00 1.34 0.00 0.00 72.50 70.17 1s26 s THR 62 CO 0.00 0.22 0.04 -0.63 -0.54 0.00 0.00 174.62 173.71 1s26 s ILE 63 N 1.71 4.05 0.42 2.99 1.09 0.18 -4.88 121.20 126.76 1s26 s ILE 63 Ca 0.13 -0.30 0.07 0.00 -1.10 0.00 0.00 60.65 59.46 1s26 s ILE 63 Cb -0.15 -2.90 -0.04 0.00 -1.06 0.00 0.00 42.46 38.31 1s26 s ILE 63 CO 0.09 0.33 0.27 1.51 -0.10 0.00 0.00 174.94 177.04 1s26 s ASP 64 N 1.57 4.66 0.15 3.58 1.47 -1.24 -0.31 116.67 126.55 1s26 s ASP 64 Ca 0.06 -0.97 -0.25 0.00 1.18 0.00 0.00 52.55 52.57 1s26 s ASP 64 Cb -0.15 -0.45 0.01 0.00 -0.34 0.00 0.00 42.92 41.99 1s26 s ASP 64 CO 0.02 -0.62 1.60 -0.26 0.68 0.00 0.00 175.17 176.58 1s26 h PHE 65 N 1.24 -0.97 -0.97 2.11 -1.00 -1.91 -0.93 116.94 114.51 1s26 h PHE 65 Ca -0.42 0.05 0.30 0.00 2.81 0.00 0.00 57.97 60.72 1s26 h PHE 65 Cb 1.26 0.46 -0.15 0.00 3.61 0.00 0.00 35.95 41.14 1s26 h PHE 65 CO 0.62 -0.40 0.46 -1.35 -1.61 0.00 0.00 178.31 176.03 1s26 h PRO 66 N -0.34 0.26 0.19 1.51 0.11 -1.97 0.70 132.00 132.46 1s26 h PRO 66 Ca 0.13 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1s26 h PRO 66 Cb 0.55 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1s26 h PRO 66 CO -0.46 0.17 -0.09 0.93 -0.21 0.00 0.00 178.00 178.34 1s26 h GLU 67 N 0.27 -0.24 -0.67 1.05 5.08 -1.69 -3.06 114.58 115.33 1s26 h GLU 67 Ca 0.69 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 59.21 1s26 h GLU 67 Cb 1.55 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.75 1s26 h GLU 67 CO -0.64 -0.16 0.11 0.35 -1.00 0.00 0.00 179.01 177.67 1s26 h PHE 68 N -0.55 0.16 -0.35 4.33 3.57 -0.71 -0.36 116.94 123.03 1s26 h PHE 68 Ca -0.03 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1s26 h PHE 68 Cb 0.19 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1s26 h PHE 68 CO 0.05 -0.10 0.21 -0.07 -2.23 0.00 0.00 178.31 176.16 1s26 h LEU 69 N 0.22 0.42 0.06 0.59 3.38 0.26 -2.12 115.31 118.11 1s26 h LEU 69 Ca 0.36 -0.02 -0.27 0.00 0.09 0.00 0.00 57.88 58.05 1s26 h LEU 69 Cb 0.60 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.25 1s26 h LEU 69 CO -0.49 0.32 -1.19 0.74 0.09 0.00 0.00 178.44 177.91 1s26 h THR 70 N 0.48 1.43 -0.13 0.22 2.02 -1.00 -3.06 112.91 112.87 1s26 h THR 70 Ca 0.13 -2.82 -0.00 0.00 0.77 0.00 0.00 66.41 64.49 1s26 h THR 70 Cb -0.01 2.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1s26 h THR 70 CO -0.02 0.83 0.06 0.24 0.37 0.00 0.00 175.52 177.00 1s26 h MET 71 N 0.14 0.18 -0.23 6.66 2.86 -0.81 -1.23 114.93 122.50 1s26 h MET 71 Ca -0.14 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1s26 h MET 71 Cb 1.89 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.50 1s26 h MET 71 CO 0.20 0.23 0.17 0.52 1.06 0.00 0.00 176.91 179.09 1s26 h MET 72 N 0.09 0.02 -0.72 1.72 2.86 -1.49 -2.75 114.93 114.66 1s26 h MET 72 Ca 0.04 -0.00 0.21 0.00 -2.06 0.00 0.00 59.70 57.89 1s26 h MET 72 Cb 0.11 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1s26 h MET 72 CO -0.01 0.01 1.02 0.00 1.06 0.00 0.00 176.91 178.99 1s26 h ALA 73 N 1.88 2.60 0.00 6.32 0.00 -1.11 -2.22 119.26 126.73 1s26 h ALA 73 Ca 0.11 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1s26 h ALA 73 Cb 0.41 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1s26 h ALA 73 CO -0.00 -1.38 -1.36 -2.13 0.00 0.00 0.00 179.25 174.37 1s26 n ARG 74 N -3.18 0.51 -0.07 0.00 3.00 -1.04 -4.58 116.66 111.30 1s26 n ARG 74 Ca 0.16 0.03 -0.10 0.00 -0.00 0.00 0.00 57.85 57.94 1s26 n ARG 74 Cb 1.24 -1.13 -0.03 0.00 0.00 0.00 0.00 32.46 32.54 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 0.36 -1.84 -0.14 3.11 -1.54 -2.61 116.57 113.92 1s26 h LYS 75 Ca -0.14 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.65 1s26 h LYS 75 Cb 1.23 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.39 1s26 h LYS 75 CO -0.02 0.34 0.00 -1.33 -2.81 0.00 0.00 179.45 175.63 1s26 n MET 76 N -4.83 0.34 0.00 1.90 2.81 -0.87 -3.87 117.12 112.59 1s26 n MET 76 Ca -0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1s26 n MET 76 Cb 0.09 -1.33 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 1.34 0.00 0.09 0.03 3.00 -0.98 -4.51 118.16 117.13 1s26 n LYS 77 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 1s26 n LYS 77 Cb 0.17 -0.07 0.06 0.00 0.00 0.00 0.00 35.03 35.19 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 0.22 -0.00 3.14 1.82 -1.80 -3.18 116.42 116.62 1s26 h ASP 78 Ca 0.00 -0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 1s26 h ASP 78 Cb 0.00 -0.07 -0.00 0.00 0.68 0.00 0.00 39.33 39.94 1s26 h ASP 78 CO 0.00 0.89 0.00 0.00 -1.61 0.00 0.00 179.24 178.52 1s26 h THR 79 N 0.12 0.70 0.00 2.25 1.03 -1.87 -2.93 112.91 112.21 1s26 h THR 79 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.38 1s26 h THR 79 Cb 1.32 1.00 0.00 0.00 -1.07 0.00 0.00 68.15 69.39 1s26 h THR 79 CO 0.11 0.00 0.00 -0.67 -0.01 0.00 0.00 175.52 174.95 1s26 n ASP 80 N -4.10 0.00 0.00 0.00 2.03 -1.20 -3.26 116.55 110.01 1s26 n ASP 80 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1s26 n ASP 80 Cb 0.09 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 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 -0.87 0.00 -0.35 1.67 7.64 -1.11 -3.38 113.62 117.22 1s26 n SER 81 Ca 0.00 -0.07 0.26 0.00 1.01 0.00 0.00 58.87 60.08 1s26 n SER 81 Cb 0.00 0.00 0.55 0.00 -1.01 0.00 0.00 64.21 63.75 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 0.00 0.30 -0.02 1.43 4.81 -1.88 -1.10 114.58 118.11 1s26 h GLU 82 Ca 0.00 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1s26 h GLU 82 Cb 0.00 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1s26 h GLU 82 CO 0.00 0.20 -0.07 0.93 -0.73 0.00 0.00 179.01 179.34 1s26 h GLU 83 N 0.31 -0.11 -0.55 1.92 4.39 -1.92 -2.39 114.58 116.24 1s26 h GLU 83 Ca 0.64 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.32 1s26 h GLU 83 Cb 1.77 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.42 1s26 h GLU 83 CO -0.31 -0.07 0.22 0.93 -1.16 0.00 0.00 179.01 178.62 1s26 h GLU 84 N -0.11 0.82 -0.61 2.33 3.07 -1.52 -2.59 114.58 115.97 1s26 h GLU 84 Ca 0.03 -0.15 0.10 0.00 -0.50 0.00 0.00 59.36 58.84 1s26 h GLU 84 Cb 0.15 -0.13 -0.07 0.00 -0.84 0.00 0.00 28.75 27.86 1s26 h GLU 84 CO -0.08 0.71 0.22 0.82 -1.40 0.00 0.00 179.01 179.28 1s26 h ILE 85 N 0.75 0.76 -0.74 3.13 2.04 -1.34 0.27 117.51 122.37 1s26 h ILE 85 Ca 0.18 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.85 1s26 h ILE 85 Cb 0.20 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1s26 h ILE 85 CO -0.02 0.07 0.22 -0.09 0.00 0.00 0.00 178.15 178.34 1s26 h ARG 86 N 0.39 1.16 -0.26 2.37 2.43 -1.25 0.21 114.38 119.44 1s26 h ARG 86 Ca 0.31 -0.25 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 1s26 h ARG 86 Cb 0.39 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1s26 h ARG 86 CO -0.32 0.99 -0.25 0.93 -1.51 0.00 0.00 179.97 179.81 1s26 h GLU 87 N 1.11 0.49 -0.02 0.20 5.08 -0.89 -2.65 114.58 117.89 1s26 h GLU 87 Ca 0.24 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1s26 h GLU 87 Cb 0.32 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1s26 h GLU 87 CO -0.01 0.71 0.01 0.00 -1.00 0.00 0.00 179.01 178.72 1s26 h ALA 88 N 1.30 0.03 -0.85 3.43 0.00 0.27 -2.29 119.26 121.15 1s26 h ALA 88 Ca 0.06 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.10 1s26 h ALA 88 Cb 0.68 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.35 1s26 h ALA 88 CO 0.05 -0.43 0.37 0.35 0.00 0.00 0.00 179.25 179.60 1s26 h PHE 89 N -0.07 0.63 0.00 0.00 3.57 -0.77 0.25 116.94 120.56 1s26 h PHE 89 Ca 0.01 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1s26 h PHE 89 Cb 0.10 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 1s26 h PHE 89 CO -0.04 0.03 -0.13 0.00 -2.23 0.00 0.00 178.31 175.94 1s26 h ARG 90 N 0.46 0.00 -0.34 1.11 3.08 -1.08 -2.52 114.38 115.10 1s26 h ARG 90 Ca 0.50 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.44 1s26 h ARG 90 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1s26 h ARG 90 CO -0.46 0.13 -0.21 0.28 -1.07 0.00 0.00 179.97 178.64 1s26 h VAL 91 N 0.00 1.29 0.01 2.04 2.07 -0.12 -3.30 116.25 118.25 1s26 h VAL 91 Ca -0.00 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 1s26 h VAL 91 Cb 0.34 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1s26 h VAL 91 CO 0.02 0.44 -0.01 -0.26 0.02 0.00 0.00 177.57 177.78 1s26 h PHE 92 N 0.51 -0.02 0.00 1.57 -1.00 -1.27 -3.38 116.94 113.35 1s26 h PHE 92 Ca 0.07 -0.00 -0.57 0.00 2.81 0.00 0.00 57.97 60.28 1s26 h PHE 92 Cb 0.76 0.01 0.11 0.00 3.61 0.00 0.00 35.95 40.43 1s26 h PHE 92 CO 0.06 0.36 1.62 -3.47 -1.61 0.00 0.00 178.31 175.28 1s26 n ASP 93 N -4.92 1.42 -0.05 2.17 2.03 -0.98 -4.74 116.55 111.48 1s26 n ASP 93 Ca -0.08 -2.51 0.23 0.00 0.52 0.00 0.00 54.79 52.94 1s26 n ASP 93 Cb 0.21 -0.67 0.70 0.00 -0.72 0.00 0.00 41.12 40.63 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 9.24 0.00 -0.29 -0.67 1.57 -1.82 -0.63 116.57 123.97 1s26 h LYS 94 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1s26 h LYS 94 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1s26 h LYS 94 CO 1.95 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 180.43 1s26 n ASP 95 N -4.33 2.85 -3.90 0.86 5.75 -1.26 -4.97 116.55 111.55 1s26 n ASP 95 Ca 0.12 -1.90 -0.27 0.00 -0.01 0.00 0.00 54.79 52.73 1s26 n ASP 95 Cb 0.71 -0.18 0.01 0.00 -1.03 0.00 0.00 41.12 40.63 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 1.38 -0.35 0.29 6.12 0.00 -0.25 -4.86 105.19 107.51 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 -2.92 1.49 0.00 1.61 6.94 -1.26 -4.95 115.26 116.16 1s26 n ASN 97 Ca -0.16 -1.19 0.00 0.00 -0.02 0.00 0.00 54.58 53.22 1s26 n ASN 97 Cb 0.61 0.54 0.00 0.00 -2.36 0.00 0.00 39.78 38.58 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 1.43 0.76 3.19 4.83 0.00 -1.26 -5.05 105.19 109.08 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 -2.65 1.39 -0.32 1.61 1.51 -1.26 -4.12 117.35 113.51 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 -0.80 -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 0.00 175.55 175.19 1s26 s ILE 100 N -1.02 5.27 0.30 2.71 1.01 0.16 -4.68 121.20 124.96 1s26 s ILE 100 Ca 0.02 -0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.71 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 0.06 0.44 -0.94 0.00 0.00 0.00 174.94 174.52 1s26 s SER 101 N 1.73 6.12 0.14 3.58 1.04 -1.26 -1.32 113.70 123.74 1s26 s SER 101 Ca 0.08 -0.02 -0.19 0.00 0.48 0.00 0.00 55.95 56.30 1s26 s SER 101 Cb -0.17 -1.55 0.01 0.00 0.10 0.00 0.00 66.02 64.41 1s26 s SER 101 CO 0.11 -0.29 1.69 0.00 0.98 0.00 0.00 173.24 175.72 1s26 h ALA 102 N 0.97 0.15 -0.50 5.32 0.00 -1.94 -1.10 119.26 122.15 1s26 h ALA 102 Ca -0.49 0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.61 1s26 h ALA 102 Cb 1.24 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 1s26 h ALA 102 CO 0.57 -0.48 0.09 0.00 0.00 0.00 0.00 179.25 179.42 1s26 h ALA 103 N 1.22 0.56 -0.60 0.00 0.00 -1.97 -0.62 119.26 117.84 1s26 h ALA 103 Ca 0.12 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1s26 h ALA 103 Cb 0.21 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1s26 h ALA 103 CO -0.27 -0.32 0.27 0.93 0.00 0.00 0.00 179.25 179.86 1s26 h GLU 104 N 0.22 0.85 -0.80 0.00 5.08 -1.74 -2.10 114.58 116.08 1s26 h GLU 104 Ca 0.25 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1s26 h GLU 104 Cb 0.35 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1s26 h GLU 104 CO -0.35 0.67 0.36 1.25 -1.00 0.00 0.00 179.01 179.94 1s26 h LEU 105 N 0.85 1.08 0.14 1.33 6.46 0.09 -2.01 115.31 123.25 1s26 h LEU 105 Ca 0.21 -0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1s26 h LEU 105 Cb 0.11 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 39.76 1s26 h LEU 105 CO -0.03 0.93 -0.10 -0.09 -0.62 0.00 0.00 178.44 178.54 1s26 h ARG 106 N 1.16 -0.23 0.06 1.25 2.43 -0.55 -0.88 114.38 117.61 1s26 h ARG 106 Ca 0.27 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.47 1s26 h ARG 106 Cb 0.16 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.72 1s26 h ARG 106 CO -0.03 -0.15 -0.51 0.45 -1.51 0.00 0.00 179.97 178.21 1s26 h HIS 107 N -0.24 -1.50 -0.91 2.20 3.86 -1.14 0.54 115.15 117.97 1s26 h HIS 107 Ca -0.01 0.04 0.18 0.00 -1.16 0.00 0.00 60.37 59.43 1s26 h HIS 107 Cb 0.21 0.65 -0.11 0.00 1.06 0.00 0.00 27.41 29.22 1s26 h HIS 107 CO -0.09 -0.56 0.48 0.28 0.86 0.00 0.00 177.93 178.89 1s26 h VAL 108 N -0.68 0.64 0.27 2.45 2.07 -1.28 -1.03 116.25 118.68 1s26 h VAL 108 Ca 0.00 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1s26 h VAL 108 Cb 0.71 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1s26 h VAL 108 CO -0.31 0.11 -0.13 0.24 0.02 0.00 0.00 177.57 177.50 1s26 h MET 109 N 0.59 -0.35 -0.72 1.57 2.07 0.08 -3.00 114.93 115.17 1s26 h MET 109 Ca 0.53 0.02 0.03 0.00 -2.07 0.00 0.00 59.70 58.22 1s26 h MET 109 Cb 0.87 0.08 -0.05 0.00 -1.87 0.00 0.00 31.60 30.63 1s26 h MET 109 CO -0.42 -0.00 0.45 1.79 1.07 0.00 0.00 176.91 179.80 1s26 h THR 110 N -0.81 1.08 0.00 2.22 1.35 0.36 -0.99 112.91 116.12 1s26 h THR 110 Ca -0.04 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1s26 h THR 110 Cb 0.51 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 1s26 h THR 110 CO 0.06 0.16 0.00 0.78 -0.25 0.00 0.00 175.52 176.27 1s26 h ASN 111 N 0.87 0.00 -0.01 5.36 2.35 -1.27 0.19 115.58 123.07 1s26 h ASN 111 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1s26 h ASN 111 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1s26 h ASN 111 CO -0.12 0.00 -0.05 0.18 -1.65 0.00 0.00 177.43 175.79 1s26 n LEU 112 N -2.94 2.28 0.00 1.61 4.77 -0.41 -5.00 117.00 117.32 1s26 n LEU 112 Ca -0.02 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 1s26 n LEU 112 Cb 0.12 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1s26 n LEU 112 CO 0.20 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1s26 n GLY 113 N 1.29 2.54 3.51 -0.72 0.00 0.66 -5.04 105.19 107.43 1s26 n GLY 113 Ca 0.15 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 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 0.64 -2.82 1.61 4.07 -1.21 -4.75 120.64 118.18 1s26 n GLU 114 Ca 0.00 0.04 -0.41 0.00 -0.06 0.00 0.00 57.16 56.73 1s26 n GLU 114 Cb 0.00 -2.55 -0.05 0.00 -0.06 0.00 0.00 31.44 28.78 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 8.26 4.62 0.13 5.31 -0.14 -1.26 -3.38 119.74 133.29 1s26 s LYS 115 Ca 1.14 1.31 0.05 0.00 -1.36 0.00 0.00 55.97 57.12 1s26 s LYS 115 Cb -0.69 -3.37 -0.04 0.00 -1.68 0.00 0.00 37.83 32.04 1s26 s LYS 115 CO 0.38 0.23 -0.13 -0.51 -0.76 0.00 0.00 175.35 174.57 1s26 s LEU 116 N -0.01 2.45 0.17 3.17 1.43 -1.26 -5.04 118.68 119.60 1s26 s LEU 116 Ca 0.44 -0.88 -0.13 0.00 -1.03 0.00 0.00 54.13 52.53 1s26 s LEU 116 Cb -0.22 -0.48 -0.07 0.00 0.03 0.00 0.00 46.19 45.44 1s26 s LEU 116 CO 0.27 -0.21 0.55 0.42 0.23 0.00 0.00 176.35 177.62 1s26 s THR 117 N -2.56 4.87 0.60 5.49 -4.23 -1.26 -4.90 115.64 113.65 1s26 s THR 117 Ca 0.12 0.73 0.29 0.00 -1.18 0.00 0.00 61.69 61.65 1s26 s THR 117 Cb -0.02 -3.70 0.40 0.00 1.34 0.00 0.00 72.50 70.52 1s26 s THR 117 CO 0.02 0.14 1.64 0.44 -0.54 0.00 0.00 174.62 176.32 1s26 h ASP 118 N 3.24 0.00 0.56 3.99 3.45 -2.01 0.17 116.42 125.83 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 0.67 0.00 -0.27 -0.33 -1.57 0.00 0.00 179.24 177.74 1s26 h GLU 119 N 0.00 -0.73 -0.23 3.56 4.39 -1.99 -2.70 114.58 116.88 1s26 h GLU 119 Ca 0.36 0.05 0.04 0.00 0.34 0.00 0.00 59.36 60.15 1s26 h GLU 119 Cb 2.01 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 30.80 1s26 h GLU 119 CO -0.00 -0.46 -0.00 0.93 -1.16 0.00 0.00 179.01 178.31 1s26 h GLU 120 N -1.17 0.07 0.03 2.33 5.08 -1.09 -2.47 114.58 117.35 1s26 h GLU 120 Ca -0.08 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1s26 h GLU 120 Cb 0.61 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1s26 h GLU 120 CO 0.13 0.04 -0.46 0.28 -1.00 0.00 0.00 179.01 178.00 1s26 h VAL 121 N 0.07 0.00 0.00 3.13 2.07 -1.31 0.22 116.25 120.43 1s26 h VAL 121 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1s26 h VAL 121 Cb 0.13 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1s26 h VAL 121 CO -0.18 0.00 0.16 0.47 0.02 0.00 0.00 177.57 178.04 1s26 n ASP 122 N -5.02 0.43 0.12 0.57 8.00 -1.02 -0.09 116.55 119.54 1s26 n ASP 122 Ca -0.07 0.64 -0.21 0.00 0.71 0.00 0.00 54.79 55.87 1s26 n ASP 122 Cb 0.34 -0.65 -0.15 0.00 -0.02 0.00 0.00 41.12 40.64 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 0.41 -0.14 -1.24 4.39 -0.13 -3.05 114.58 114.82 1s26 h GLU 123 Ca 0.00 -0.70 -0.06 0.00 0.34 0.00 0.00 59.36 58.94 1s26 h GLU 123 Cb 0.32 0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1s26 h GLU 123 CO 0.00 1.32 -0.13 0.52 -1.16 0.00 0.00 179.01 179.56 1s26 h MET 124 N 0.11 0.33 -0.19 2.33 2.86 0.48 -2.29 114.93 118.56 1s26 h MET 124 Ca -0.23 -0.17 0.04 0.00 -2.06 0.00 0.00 59.70 57.28 1s26 h MET 124 Cb 2.09 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.71 1s26 h MET 124 CO 0.23 0.72 -0.08 0.82 1.06 0.00 0.00 176.91 179.66 1s26 h ILE 125 N -0.04 0.74 -0.62 -1.22 1.08 -1.52 -2.02 117.51 113.91 1s26 h ILE 125 Ca 0.02 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.51 1s26 h ILE 125 Cb 0.65 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 35.11 1s26 h ILE 125 CO 0.03 0.00 0.41 0.03 -0.69 0.00 0.00 178.15 177.93 1s26 h ARG 126 N -0.04 0.76 -0.34 2.37 3.08 -1.53 0.29 114.38 118.97 1s26 h ARG 126 Ca 0.10 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 1s26 h ARG 126 Cb 0.20 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1s26 h ARG 126 CO -0.22 0.50 -0.00 0.93 -1.07 0.00 0.00 179.97 180.10 1s26 h GLU 127 N 0.78 0.59 -0.00 0.04 4.39 -0.80 -3.08 114.58 116.51 1s26 h GLU 127 Ca 0.24 -0.19 -0.16 0.00 0.34 0.00 0.00 59.36 59.59 1s26 h GLU 127 Cb -0.00 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1s26 h GLU 127 CO -0.06 0.72 -0.74 0.00 -1.16 0.00 0.00 179.01 177.77 1s26 h ALA 128 N 0.85 0.77 -2.64 3.43 0.00 -0.94 -3.44 119.26 117.30 1s26 h ALA 128 Ca 0.09 -0.67 -0.52 0.00 0.00 0.00 0.00 54.91 53.81 1s26 h ALA 128 Cb 0.45 -0.12 0.05 0.00 0.00 0.00 0.00 17.79 18.18 1s26 h ALA 128 CO 0.02 0.92 0.95 0.34 0.00 0.00 0.00 179.25 181.48 1s26 s ASP 129 N -6.81 6.47 -0.08 0.00 -1.08 0.98 -4.83 116.67 111.33 1s26 s ASP 129 Ca -0.01 2.76 0.05 0.00 -0.52 0.00 0.00 52.55 54.82 1s26 s ASP 129 Cb 0.12 -2.60 -0.08 0.00 -1.46 0.00 0.00 42.92 38.90 1s26 s ASP 129 CO 0.78 -0.90 -0.01 -0.38 0.52 0.00 0.00 175.17 175.18 1s26 n ILE 130 N 3.95 0.52 -0.11 4.11 5.41 -1.26 -4.63 119.36 127.34 1s26 n ILE 130 Ca 0.15 -0.28 0.12 0.00 1.00 0.00 0.00 62.75 63.74 1s26 n ILE 130 Cb 0.37 -0.81 0.28 0.00 -0.71 0.00 0.00 39.64 38.76 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 3.75 -2.93 4.38 5.75 -1.26 -4.98 116.55 118.82 1s26 n ASP 131 Ca -0.14 -1.99 -0.22 0.00 -0.01 0.00 0.00 54.79 52.43 1s26 n ASP 131 Cb 0.72 -0.39 0.03 0.00 -1.03 0.00 0.00 41.12 40.44 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 1.57 -0.52 0.76 6.12 0.00 -1.26 -4.89 105.19 106.97 1s26 n GLY 132 Ca 0.22 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.46 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 -2.45 2.26 0.00 1.61 5.75 -1.26 -4.91 116.55 117.56 1s26 n ASP 133 Ca -0.13 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1s26 n ASP 133 Cb 0.63 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 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 1.24 0.89 3.13 6.12 0.00 -1.26 -4.99 105.19 110.31 1s26 n GLY 134 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.03 0.78 -0.22 1.61 -2.07 -1.26 -4.70 119.66 113.77 1s26 s GLN 135 Ca 0.00 -1.32 -0.05 0.00 -1.82 0.00 0.00 55.36 52.17 1s26 s GLN 135 Cb 0.00 0.23 -0.02 0.00 -1.09 0.00 0.00 33.01 32.14 1s26 s GLN 135 CO 0.00 -0.19 -0.01 0.08 -1.32 0.00 0.00 175.29 173.85 1s26 s VAL 136 N -3.98 3.68 0.49 3.63 1.01 -0.43 -4.76 120.40 120.04 1s26 s VAL 136 Ca 0.15 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1s26 s VAL 136 Cb 0.08 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.79 1s26 s VAL 136 CO -0.04 0.41 0.70 0.54 0.00 0.00 0.00 175.10 176.71 1s26 s ASN 137 N 1.39 5.51 0.26 3.32 2.20 -1.26 0.39 114.94 126.75 1s26 s ASN 137 Ca 0.05 -0.02 -0.02 0.00 -0.94 0.00 0.00 52.86 51.93 1s26 s ASN 137 Cb -0.14 -1.01 0.52 0.00 -2.00 0.00 0.00 41.25 38.61 1s26 s ASN 137 CO -0.01 -0.94 1.75 0.22 -2.94 0.00 0.00 177.10 175.19 1s26 h TYR 138 N 0.29 0.68 -0.33 1.54 3.20 -1.99 0.17 116.97 120.53 1s26 h TYR 138 Ca -0.43 0.04 0.07 0.00 3.14 0.00 0.00 58.73 61.55 1s26 h TYR 138 Cb 1.28 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 39.30 1s26 h TYR 138 CO 0.40 0.13 -0.20 0.93 -1.64 0.00 0.00 178.16 177.78 1s26 h GLU 139 N 0.55 -0.15 0.74 1.82 3.07 -1.95 0.33 114.58 119.00 1s26 h GLU 139 Ca 0.45 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.29 1s26 h GLU 139 Cb 0.67 0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.62 1s26 h GLU 139 CO -0.38 -0.10 -0.35 0.93 -1.40 0.00 0.00 179.01 177.70 1s26 h GLU 140 N -0.15 -0.95 -1.37 2.33 5.08 -1.67 -2.55 114.58 115.30 1s26 h GLU 140 Ca 0.17 0.07 0.43 0.00 -1.00 0.00 0.00 59.36 59.02 1s26 h GLU 140 Cb 0.41 0.22 -0.11 0.00 0.50 0.00 0.00 28.75 29.77 1s26 h GLU 140 CO -0.43 -0.62 0.91 0.35 -1.00 0.00 0.00 179.01 178.23 1s26 h PHE 141 N -1.09 0.41 -0.11 4.33 3.57 -0.57 0.49 116.94 123.97 1s26 h PHE 141 Ca -0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.38 1s26 h PHE 141 Cb 0.78 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 1s26 h PHE 141 CO -0.01 -0.13 -0.07 0.28 -2.23 0.00 0.00 178.31 176.15 1s26 h VAL 142 N 0.10 1.33 0.37 1.41 2.07 -0.55 -2.65 116.25 118.33 1s26 h VAL 142 Ca 0.79 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1s26 h VAL 142 Cb 2.60 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 34.22 1s26 h VAL 142 CO -0.31 0.33 -0.34 1.56 0.02 0.00 0.00 177.57 178.84 1s26 h GLN 143 N -0.13 -0.67 0.00 1.57 1.08 0.28 0.41 115.11 117.65 1s26 h GLN 143 Ca 0.02 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1s26 h GLN 143 Cb 0.56 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 1s26 h GLN 143 CO 0.02 -0.45 0.48 1.98 -0.95 0.00 0.00 178.83 179.91 1s26 h MET 144 N -0.69 0.00 0.00 1.46 4.05 -1.26 0.51 114.93 118.99 1s26 h MET 144 Ca -0.05 0.00 -0.25 0.00 -0.28 0.00 0.00 59.70 59.13 1s26 h MET 144 Cb 0.59 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.35 1s26 h MET 144 CO -0.02 0.00 -1.93 -0.12 0.23 0.00 0.00 176.91 175.07 1s26 n MET 145 N -2.34 0.87 -0.12 0.39 0.00 -0.67 -4.75 117.12 110.49 1s26 n MET 145 Ca -0.01 0.06 -0.17 0.00 -0.00 0.00 0.00 57.70 57.59 1s26 n MET 145 Cb 0.50 -1.33 -0.13 0.00 0.00 0.00 0.00 33.22 32.26 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 -2.83 1.48 0.79 1.12 -2.24 0.13 -5.09 114.28 107.64 1s26 n THR 146 Ca -0.27 -0.62 0.06 0.00 -2.27 0.00 0.00 64.05 60.96 1s26 n THR 146 Cb 0.85 -1.27 0.37 0.00 -2.10 0.00 0.00 70.33 68.18 1s26 n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50