#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s03 n ASP 4 N 0.00 2.22 -0.03 1.69 -0.08 -1.26 -4.90 116.55 114.18 1s03 n ASP 4 Ca 0.00 -3.04 0.24 0.00 -1.51 0.00 0.00 54.79 50.48 1s03 n ASP 4 Cb 0.00 -0.69 0.63 0.00 2.34 0.00 0.00 41.12 43.40 1s03 n ASP 4 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1s03 h PRO 5 N 5.14 0.00 -0.10 -0.67 0.11 -2.04 -1.38 132.00 133.06 1s03 h PRO 5 Ca 0.18 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.06 1s03 h PRO 5 Cb 0.78 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.90 1s03 h PRO 5 CO 0.65 0.00 -0.84 0.82 -0.21 0.00 0.00 178.00 178.41 1s03 h ILE 6 N 0.00 1.29 -0.81 4.15 1.08 -2.00 -3.07 117.51 118.15 1s03 h ILE 6 Ca 0.32 -2.08 0.08 0.00 -0.39 0.00 0.00 64.86 62.79 1s03 h ILE 6 Cb 1.83 2.10 -0.05 0.00 -3.07 0.00 0.00 36.82 37.63 1s03 h ILE 6 CO -0.00 0.65 0.53 0.00 -0.69 0.00 0.00 178.15 178.64 1s03 h ALA 7 N 0.57 1.67 0.17 1.87 0.00 -1.67 -0.29 119.26 121.58 1s03 h ALA 7 Ca -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1s03 h ALA 7 Cb 1.47 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1s03 h ALA 7 CO 0.17 0.19 -0.08 0.22 0.00 0.00 0.00 179.25 179.74 1s03 h ASP 8 N 0.83 -0.19 -0.70 0.00 1.82 -1.55 1.02 116.42 117.64 1s03 h ASP 8 Ca 0.36 -0.04 0.10 0.00 -0.39 0.00 0.00 57.03 57.06 1s03 h ASP 8 Cb 0.33 0.05 -0.12 0.00 0.68 0.00 0.00 39.33 40.27 1s03 h ASP 8 CO -0.14 -0.09 -0.45 0.24 -1.61 0.00 0.00 179.24 177.19 1s03 h MET 9 N -0.28 -0.16 -0.17 0.28 2.86 -1.26 0.53 114.93 116.72 1s03 h MET 9 Ca -0.02 0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.49 1s03 h MET 9 Cb 0.22 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1s03 h MET 9 CO 0.04 -0.11 -0.46 -0.07 1.06 0.00 0.00 176.91 177.37 1s03 h LEU 10 N -0.16 0.47 -0.76 1.22 3.38 0.31 -1.06 115.31 118.70 1s03 h LEU 10 Ca 0.20 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1s03 h LEU 10 Cb 0.55 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1s03 h LEU 10 CO -0.77 0.86 -0.01 0.74 0.09 0.00 0.00 178.44 179.36 1s03 h THR 11 N 0.35 1.26 -0.40 0.22 2.02 0.21 0.19 112.91 116.76 1s03 h THR 11 Ca 0.02 -1.09 -0.15 0.00 0.77 0.00 0.00 66.41 65.96 1s03 h THR 11 Cb 0.95 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1s03 h THR 11 CO 0.08 0.39 -0.32 0.03 0.37 0.00 0.00 175.52 176.07 1s03 h ARG 12 N 0.86 0.92 0.78 6.66 3.08 0.78 0.10 114.38 127.56 1s03 h ARG 12 Ca 0.16 -0.46 -0.04 0.00 0.07 0.00 0.00 59.98 59.71 1s03 h ARG 12 Cb 0.52 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.58 1s03 h ARG 12 CO 0.03 1.11 -0.38 0.82 -1.07 0.00 0.00 179.97 180.48 1s03 h ILE 13 N 0.74 0.10 -0.94 2.04 2.04 -1.03 0.45 117.51 120.92 1s03 h ILE 13 Ca 0.07 -0.17 0.25 0.00 1.00 0.00 0.00 64.86 66.01 1s03 h ILE 13 Cb 0.91 0.13 -0.17 0.00 -0.74 0.00 0.00 36.82 36.95 1s03 h ILE 13 CO 0.08 0.01 0.02 -0.09 0.00 0.00 0.00 178.15 178.18 1s03 h ARG 14 N -1.21 0.04 -0.08 2.37 2.43 -0.83 -0.49 114.38 116.62 1s03 h ARG 14 Ca -0.11 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.92 1s03 h ARG 14 Cb 0.82 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1s03 h ARG 14 CO 0.18 0.03 -0.50 -0.91 -1.51 0.00 0.00 179.97 177.25 1s03 h ASN 15 N 0.04 0.57 -0.72 -3.80 2.35 -0.69 -2.56 115.58 110.77 1s03 h ASN 15 Ca 0.56 -0.67 0.12 0.00 -0.55 0.00 0.00 56.30 55.76 1s03 h ASN 15 Cb 1.10 -0.17 -0.08 0.00 0.05 0.00 0.00 38.32 39.22 1s03 h ASN 15 CO -0.86 1.15 0.31 1.23 -1.65 0.00 0.00 177.43 177.61 1s03 h GLY 16 N 0.04 1.07 2.00 2.83 0.00 0.17 -1.97 103.07 107.21 1s03 h GLY 16 Ca -0.04 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1s03 h GLY 16 CO 0.10 -0.03 -0.39 1.46 0.00 0.00 0.00 176.54 177.68 1s03 h GLN 17 N 0.49 0.00 0.00 4.80 1.08 -1.09 -0.76 115.11 119.63 1s03 h GLN 17 Ca 0.38 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.49 1s03 h GLN 17 Cb 0.50 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1s03 h GLN 17 CO -0.34 0.39 -0.41 0.00 -0.95 0.00 0.00 178.83 177.52 1s03 h ALA 18 N 1.61 0.80 -0.30 3.87 0.00 -0.96 -3.22 119.26 121.06 1s03 h ALA 18 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1s03 h ALA 18 Cb 1.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1s03 h ALA 18 CO 0.05 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.81 1s03 n ALA 19 N -2.23 2.74 -1.91 0.00 0.00 -0.80 -4.99 120.51 113.33 1s03 n ALA 19 Ca 0.01 -1.91 -0.10 0.00 0.00 0.00 0.00 53.44 51.44 1s03 n ALA 19 Cb 0.63 -0.63 -0.02 0.00 0.00 0.00 0.00 19.45 19.42 1s03 n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s03 n ASN 20 N -0.13 -3.05 -4.76 0.00 3.02 -0.64 -4.91 115.26 104.79 1s03 n ASN 20 Ca 0.18 0.25 -0.41 0.00 -0.03 0.00 0.00 54.58 54.57 1s03 n ASN 20 Cb 0.75 -2.77 -0.02 0.00 -0.61 0.00 0.00 39.78 37.13 1s03 n ASN 20 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1s03 s LYS 21 N -4.01 4.24 0.20 3.52 -0.14 -0.39 -4.91 119.74 118.25 1s03 s LYS 21 Ca 0.00 2.37 0.02 0.00 -1.36 0.00 0.00 55.97 57.00 1s03 s LYS 21 Cb 0.00 -3.06 0.13 0.00 -1.68 0.00 0.00 37.83 33.22 1s03 s LYS 21 CO 0.00 -0.41 1.48 0.00 -0.76 0.00 0.00 175.35 175.66 1s03 h ALA 22 N 4.20 0.69 -2.50 5.17 0.00 -1.91 -3.44 119.26 121.47 1s03 h ALA 22 Ca -0.48 -0.60 -0.14 0.00 0.00 0.00 0.00 54.91 53.69 1s03 h ALA 22 Cb 1.22 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.77 1s03 h ALA 22 CO 0.72 0.78 -0.67 0.00 0.00 0.00 0.00 179.25 180.08 1s03 s ALA 23 N -3.60 0.34 0.02 0.00 0.00 -1.26 -1.51 121.76 115.75 1s03 s ALA 23 Ca -0.04 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 50.99 1s03 s ALA 23 Cb 0.11 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 1s03 s ALA 23 CO 0.82 -0.30 -0.12 0.14 0.00 0.00 0.00 175.76 176.30 1s03 s VAL 24 N -3.05 0.94 0.10 0.00 -7.23 -0.41 -4.96 120.40 105.80 1s03 s VAL 24 Ca -0.01 -0.82 0.06 0.00 -1.81 0.00 0.00 61.98 59.39 1s03 s VAL 24 Cb 0.02 -0.85 -0.03 0.00 0.56 0.00 0.00 36.38 36.07 1s03 s VAL 24 CO -0.07 0.03 -0.14 0.28 -0.31 0.00 0.00 175.10 174.89 1s03 s THR 25 N -0.71 1.25 0.05 5.32 -1.32 -1.26 -0.01 115.64 118.95 1s03 s THR 25 Ca 0.01 -1.54 -0.27 0.00 -1.21 0.00 0.00 61.69 58.67 1s03 s THR 25 Cb -0.07 -1.35 0.09 0.00 -1.51 0.00 0.00 72.50 69.67 1s03 s THR 25 CO 0.01 -0.33 0.84 0.00 -2.21 0.00 0.00 174.62 172.93 1s03 s MET 26 N -2.28 0.96 0.43 7.08 0.23 -0.50 -4.96 119.30 120.26 1s03 s MET 26 Ca 0.04 -0.38 -0.26 0.00 -1.03 0.00 0.00 55.69 54.06 1s03 s MET 26 Cb -0.07 0.42 -0.09 0.00 -1.53 0.00 0.00 34.83 33.56 1s03 s MET 26 CO 0.03 -0.42 1.46 -2.14 -2.03 0.00 0.00 175.02 171.91 1s03 s PRO 27 N -3.26 3.81 0.51 3.16 0.02 -1.26 0.11 135.00 138.09 1s03 s PRO 27 Ca 0.05 2.50 -0.04 0.00 0.02 0.00 0.00 61.00 63.53 1s03 s PRO 27 Cb -0.01 -2.76 -0.01 0.00 0.02 0.00 0.00 34.50 31.74 1s03 s PRO 27 CO -0.08 -0.75 0.80 0.45 -0.33 0.00 0.00 177.00 177.09 1s03 s SER 28 N -0.36 5.89 0.25 2.53 0.15 -0.41 -4.56 113.70 117.21 1s03 s SER 28 Ca 0.58 0.67 -0.05 0.00 0.70 0.00 0.00 55.95 57.86 1s03 s SER 28 Cb -0.45 -1.85 -0.02 0.00 -1.71 0.00 0.00 66.02 61.99 1s03 s SER 28 CO 0.59 -0.79 0.33 -0.94 1.20 0.00 0.00 173.24 173.63 1s03 s SER 29 N -4.21 0.33 0.21 5.45 1.04 -1.26 -4.98 113.70 110.29 1s03 s SER 29 Ca 0.50 -1.28 -0.03 0.00 0.48 0.00 0.00 55.95 55.62 1s03 s SER 29 Cb -0.10 0.52 0.18 0.00 0.10 0.00 0.00 66.02 66.72 1s03 s SER 29 CO 0.43 -1.05 1.59 0.11 0.98 0.00 0.00 173.24 175.30 1s03 h LYS 30 N 2.36 0.65 -0.31 4.02 1.79 -1.99 -2.09 116.57 121.01 1s03 h LYS 30 Ca -0.30 -0.32 -0.02 0.00 -2.18 0.00 0.00 60.65 57.83 1s03 h LYS 30 Cb 1.25 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.88 1s03 h LYS 30 CO 0.43 0.92 0.10 1.25 -1.08 0.00 0.00 179.45 181.07 1s03 h LEU 31 N 0.54 0.44 -0.89 2.94 5.85 -1.99 0.44 115.31 122.65 1s03 h LEU 31 Ca 0.05 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1s03 h LEU 31 Cb 0.88 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 1s03 h LEU 31 CO 0.08 0.52 0.56 0.11 -0.34 0.00 0.00 178.44 179.36 1s03 h LYS 32 N 0.34 1.00 -0.22 1.25 1.57 -1.92 0.89 116.57 119.48 1s03 h LYS 32 Ca 0.10 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 1s03 h LYS 32 Cb 0.23 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1s03 h LYS 32 CO -0.00 0.66 -0.46 0.28 -0.57 0.00 0.00 179.45 179.35 1s03 h VAL 33 N 1.03 1.31 -0.38 0.50 2.07 -1.10 0.25 116.25 119.93 1s03 h VAL 33 Ca 0.39 -1.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 1s03 h VAL 33 Cb 0.16 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1s03 h VAL 33 CO -0.17 0.52 0.12 0.00 0.02 0.00 0.00 177.57 178.07 1s03 h ALA 34 N 1.03 0.50 -0.42 1.67 0.00 0.13 -0.96 119.26 121.21 1s03 h ALA 34 Ca 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1s03 h ALA 34 Cb 0.99 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1s03 h ALA 34 CO 0.09 0.13 0.24 0.82 0.00 0.00 0.00 179.25 180.53 1s03 h ILE 35 N 0.47 1.15 -0.85 0.00 2.04 -0.39 -2.45 117.51 117.49 1s03 h ILE 35 Ca 0.12 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.64 1s03 h ILE 35 Cb 0.24 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 1s03 h ILE 35 CO -0.00 0.16 0.55 0.00 0.00 0.00 0.00 178.15 178.86 1s03 h ALA 36 N 1.09 1.52 -0.91 1.87 0.00 -0.07 -0.53 119.26 122.23 1s03 h ALA 36 Ca 0.15 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1s03 h ALA 36 Cb 0.05 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 1s03 h ALA 36 CO -0.02 0.37 0.60 -0.97 0.00 0.00 0.00 179.25 179.23 1s03 h ASN 37 N 1.00 1.01 -0.06 0.00 -1.24 -0.71 -0.97 115.58 114.60 1s03 h ASN 37 Ca 0.35 -0.01 -0.10 0.00 0.71 0.00 0.00 56.30 57.25 1s03 h ASN 37 Cb 0.12 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 38.93 1s03 h ASN 37 CO -0.11 0.70 -0.33 0.58 -1.29 0.00 0.00 177.43 176.97 1s03 h VAL 38 N 1.18 1.43 -0.49 2.57 2.07 -0.92 -2.24 116.25 119.85 1s03 h VAL 38 Ca 0.36 -1.76 0.14 0.00 0.82 0.00 0.00 66.70 66.26 1s03 h VAL 38 Cb -0.04 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1s03 h VAL 38 CO -0.11 0.50 0.35 -0.07 0.02 0.00 0.00 177.57 178.27 1s03 h LEU 39 N -0.16 0.00 0.08 2.57 4.07 -0.97 -1.13 115.31 119.76 1s03 h LEU 39 Ca -0.02 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.82 1s03 h LEU 39 Cb 0.99 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.75 1s03 h LEU 39 CO 0.07 0.00 -0.52 0.50 -1.08 0.00 0.00 178.44 177.41 1s03 h LYS 40 N 0.00 0.21 -0.66 1.13 3.64 -0.97 -0.90 116.57 119.02 1s03 h LYS 40 Ca 0.23 -0.33 0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1s03 h LYS 40 Cb 0.93 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.83 1s03 h LYS 40 CO -0.00 1.13 0.44 0.93 -2.27 0.00 0.00 179.45 179.68 1s03 h GLU 41 N -0.54 0.60 -1.26 1.90 5.08 -0.70 -2.38 114.58 117.27 1s03 h GLU 41 Ca -0.09 -0.04 -0.38 0.00 -1.00 0.00 0.00 59.36 57.86 1s03 h GLU 41 Cb 1.38 -0.14 -0.18 0.00 0.50 0.00 0.00 28.75 30.31 1s03 h GLU 41 CO 0.10 0.40 0.49 0.39 -1.00 0.00 0.00 179.01 179.38 1s03 n GLU 42 N -4.48 1.93 -1.11 2.33 -0.58 -0.52 -4.91 120.64 113.30 1s03 n GLU 42 Ca 0.10 -1.93 -0.08 0.00 -0.42 0.00 0.00 57.16 54.83 1s03 n GLU 42 Cb 0.27 -1.75 -0.04 0.00 -0.57 0.00 0.00 31.44 29.35 1s03 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s03 n GLY 43 N -0.14 0.78 0.08 0.62 0.00 -0.90 -4.86 105.19 100.77 1s03 n GLY 43 Ca 0.37 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.48 1s03 n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1s03 n PHE 44 N -1.73 0.65 -4.13 1.61 3.72 -0.35 -4.92 117.46 112.31 1s03 n PHE 44 Ca -0.08 0.19 -0.11 0.00 -0.05 0.00 0.00 57.45 57.40 1s03 n PHE 44 Cb 0.43 -0.84 -0.10 0.00 -0.94 0.00 0.00 39.48 38.02 1s03 n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1s03 s ILE 45 N -3.32 0.61 -0.05 4.37 -4.36 -1.18 -4.35 121.20 112.92 1s03 s ILE 45 Ca -0.03 -1.65 -0.20 0.00 -0.26 0.00 0.00 60.65 58.50 1s03 s ILE 45 Cb 0.11 -1.32 -0.15 0.00 1.25 0.00 0.00 42.46 42.34 1s03 s ILE 45 CO 0.83 -0.73 0.86 -0.08 0.24 0.00 0.00 174.94 176.07 1s03 h GLU 46 N 3.47 -0.26 -3.61 0.37 4.81 -0.65 -3.42 114.58 115.29 1s03 h GLU 46 Ca -0.35 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.83 1s03 h GLU 46 Cb 1.18 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 30.50 1s03 h GLU 46 CO 0.57 0.13 -0.16 0.34 -0.73 0.00 0.00 179.01 179.16 1s03 s ASP 47 N -5.38 -0.09 0.05 1.04 2.15 -1.21 -5.00 116.67 108.22 1s03 s ASP 47 Ca -0.12 -0.68 0.03 0.00 0.43 0.00 0.00 52.55 52.21 1s03 s ASP 47 Cb 0.01 0.50 -0.03 0.00 -0.30 0.00 0.00 42.92 43.10 1s03 s ASP 47 CO 0.45 -0.96 -0.09 0.72 -0.17 0.00 0.00 175.17 175.12 1s03 s PHE 48 N -3.92 0.79 0.10 -5.34 -0.12 -1.26 -0.58 117.98 107.65 1s03 s PHE 48 Ca 0.13 -0.51 -0.10 0.00 -0.05 0.00 0.00 56.93 56.39 1s03 s PHE 48 Cb 0.01 -0.46 0.00 0.00 -0.63 0.00 0.00 43.02 41.95 1s03 s PHE 48 CO -0.02 -0.06 0.24 -1.59 -0.05 0.00 0.00 175.22 173.75 1s03 s LYS 49 N -1.73 0.93 -0.11 1.99 -2.85 -0.30 -4.97 119.74 112.69 1s03 s LYS 49 Ca -0.07 -0.93 0.00 0.00 -1.00 0.00 0.00 55.97 53.97 1s03 s LYS 49 Cb -0.09 0.37 -0.02 0.00 -2.06 0.00 0.00 37.83 36.03 1s03 s LYS 49 CO 0.01 -0.32 -0.11 0.08 0.10 0.00 0.00 175.35 175.11 1s03 s VAL 50 N -3.86 3.24 -0.01 1.79 1.01 -1.26 -0.22 120.40 121.10 1s03 s VAL 50 Ca 0.06 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.48 1s03 s VAL 50 Cb 0.04 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 1s03 s VAL 50 CO -0.10 0.54 -0.17 -0.70 0.00 0.00 0.00 175.10 174.67 1s03 s GLU 51 N -0.00 1.36 0.21 2.72 2.12 -0.73 -4.96 118.70 119.42 1s03 s GLU 51 Ca -0.03 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.66 1s03 s GLU 51 Cb -0.14 -1.33 0.00 0.00 0.26 0.00 0.00 34.13 32.92 1s03 s GLU 51 CO 0.04 0.36 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 1s03 n GLY 52 N 2.57 -2.53 0.45 -1.50 0.00 -1.26 -1.79 105.19 101.13 1s03 n GLY 52 Ca -0.15 -1.32 -0.17 0.00 0.00 0.00 0.00 46.02 44.38 1s03 n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s03 n ASP 53 N -3.07 1.33 0.32 1.61 -0.08 -1.26 -4.19 116.55 111.21 1s03 n ASP 53 Ca -0.02 0.17 -0.15 0.00 -1.51 0.00 0.00 54.79 53.28 1s03 n ASP 53 Cb 0.26 -0.46 -0.08 0.00 2.34 0.00 0.00 41.12 43.19 1s03 n ASP 53 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1s03 h THR 54 N -0.53 0.20 -3.30 5.18 1.35 -2.06 -3.33 112.91 110.42 1s03 h THR 54 Ca -0.41 -0.32 -0.73 0.00 -0.55 0.00 0.00 66.41 64.40 1s03 h THR 54 Cb 1.38 0.26 -0.30 0.00 -1.73 0.00 0.00 68.15 67.77 1s03 h THR 54 CO -0.23 0.03 -0.39 -1.59 -0.25 0.00 0.00 175.52 173.08 1s03 s LYS 55 N -4.87 2.47 -0.11 4.72 -2.85 -1.26 -5.07 119.74 112.77 1s03 s LYS 55 Ca -0.15 -1.78 -0.29 0.00 -1.00 0.00 0.00 55.97 52.75 1s03 s LYS 55 Cb 0.02 -3.92 -0.05 0.00 -2.06 0.00 0.00 37.83 31.81 1s03 s LYS 55 CO 0.48 -1.19 1.80 -2.14 0.10 0.00 0.00 175.35 174.39 1s03 s PRO 56 N 1.34 3.90 0.07 1.78 0.02 -1.25 -4.54 135.00 136.32 1s03 s PRO 56 Ca 0.06 2.11 -0.14 0.00 0.02 0.00 0.00 61.00 63.05 1s03 s PRO 56 Cb -0.26 -4.10 -0.06 0.00 0.02 0.00 0.00 34.50 30.10 1s03 s PRO 56 CO -0.01 -1.19 0.47 -1.21 -0.33 0.00 0.00 177.00 174.73 1s03 s GLU 57 N 4.67 3.93 -0.19 5.54 2.02 -0.74 -1.28 118.70 132.64 1s03 s GLU 57 Ca 0.80 0.41 -0.05 0.00 0.02 0.00 0.00 54.97 56.16 1s03 s GLU 57 Cb -0.33 -3.07 -0.02 0.00 0.10 0.00 0.00 34.13 30.80 1s03 s GLU 57 CO 0.33 0.59 -0.01 -1.17 0.02 0.00 0.00 175.26 175.02 1s03 s LEU 58 N -1.57 3.24 -0.21 1.80 2.96 0.30 -1.77 118.68 123.43 1s03 s LEU 58 Ca 0.31 -0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 53.97 1s03 s LEU 58 Cb -0.16 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 1s03 s LEU 58 CO 0.17 0.08 0.01 -0.70 -1.32 0.00 0.00 176.35 174.59 1s03 s GLU 59 N 0.88 3.60 -0.14 1.98 2.12 0.69 -1.42 118.70 126.41 1s03 s GLU 59 Ca 0.01 -0.52 -0.02 0.00 0.36 0.00 0.00 54.97 54.79 1s03 s GLU 59 Cb -0.14 -3.12 -0.02 0.00 0.26 0.00 0.00 34.13 31.11 1s03 s GLU 59 CO 0.02 -0.05 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.11 1s03 s LEU 60 N 1.16 3.04 -0.44 2.70 1.43 0.99 -1.15 118.68 126.42 1s03 s LEU 60 Ca 0.03 -0.20 -0.17 0.00 -1.03 0.00 0.00 54.13 52.76 1s03 s LEU 60 Cb -0.14 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.39 1s03 s LEU 60 CO 0.01 0.18 0.46 -0.89 0.23 0.00 0.00 176.35 176.35 1s03 s THR 61 N 0.28 5.07 0.89 5.49 2.01 0.25 -1.28 115.64 128.35 1s03 s THR 61 Ca -0.06 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 61.41 1s03 s THR 61 Cb -0.15 -4.08 0.13 0.00 0.01 0.00 0.00 72.50 68.41 1s03 s THR 61 CO 0.04 -0.49 1.10 -0.76 -0.69 0.00 0.00 174.62 173.82 1s03 s LEU 62 N 2.17 2.43 0.01 4.42 1.43 -0.57 -0.04 118.68 128.53 1s03 s LEU 62 Ca 0.12 1.71 0.08 0.00 -1.03 0.00 0.00 54.13 55.01 1s03 s LEU 62 Cb -0.18 -4.15 -0.02 0.00 0.03 0.00 0.00 46.19 41.87 1s03 s LEU 62 CO 0.13 -2.72 -0.23 -0.75 0.23 0.00 0.00 176.35 173.00 1s03 s LYS 63 N -4.83 1.75 -0.03 1.70 2.20 -1.26 -4.34 119.74 114.94 1s03 s LYS 63 Ca 0.64 -0.91 0.01 0.00 -0.36 0.00 0.00 55.97 55.35 1s03 s LYS 63 Cb -0.19 -1.78 0.01 0.00 -1.51 0.00 0.00 37.83 34.36 1s03 s LYS 63 CO 0.58 0.47 -0.05 0.71 -0.36 0.00 0.00 175.35 176.70 1s03 s TYR 64 N -0.65 0.64 -1.07 4.03 1.51 -1.26 -2.61 117.35 117.94 1s03 s TYR 64 Ca 0.09 -0.15 -0.06 0.00 -1.01 0.00 0.00 57.07 55.94 1s03 s TYR 64 Cb -0.09 -0.52 0.28 0.00 -0.11 0.00 0.00 41.96 41.52 1s03 s TYR 64 CO 0.00 -0.11 1.21 0.34 -1.11 0.00 0.00 175.55 175.88 1s03 n PHE 65 N 3.60 4.02 -3.52 2.71 7.35 -1.06 -4.71 117.46 125.85 1s03 n PHE 65 Ca -0.21 -3.46 -0.20 0.00 -0.76 0.00 0.00 57.45 52.82 1s03 n PHE 65 Cb 0.53 -1.45 0.08 0.00 0.35 0.00 0.00 39.48 39.00 1s03 n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1s03 n GLN 66 N 2.08 -6.70 0.00 -4.13 6.02 -1.26 -3.71 117.38 109.68 1s03 n GLN 66 Ca 0.25 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 58.05 1s03 n GLN 66 Cb 0.37 -5.78 0.00 0.00 1.02 0.00 0.00 30.24 25.85 1s03 n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s03 n GLY 67 N -1.41 0.75 3.73 1.08 0.00 -1.26 -5.10 105.19 102.98 1s03 n GLY 67 Ca -0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 1s03 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s03 s LYS 68 N -0.54 2.19 -0.08 1.61 1.02 -1.24 -5.12 119.74 117.57 1s03 s LYS 68 Ca 0.00 -1.92 -0.12 0.00 0.02 0.00 0.00 55.97 53.96 1s03 s LYS 68 Cb 0.00 -1.92 -0.05 0.00 -0.52 0.00 0.00 37.83 35.34 1s03 s LYS 68 CO 0.00 -0.14 0.29 0.00 -0.92 0.00 0.00 175.35 174.57 1s03 s ALA 69 N -2.64 3.73 0.12 5.17 0.00 -1.26 -2.57 121.76 124.31 1s03 s ALA 69 Ca 0.38 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 51.89 1s03 s ALA 69 Cb 0.04 -2.24 -0.13 0.00 0.00 0.00 0.00 23.12 20.79 1s03 s ALA 69 CO 0.21 0.43 1.28 0.28 0.00 0.00 0.00 175.76 177.95 1s03 h VAL 70 N 4.05 1.45 -3.46 0.00 2.07 -1.84 -3.41 116.25 115.10 1s03 h VAL 70 Ca -0.50 -2.64 -0.57 0.00 0.82 0.00 0.00 66.70 63.81 1s03 h VAL 70 Cb 1.21 2.56 -0.08 0.00 -1.52 0.00 0.00 31.29 33.46 1s03 h VAL 70 CO 0.64 0.78 0.85 -0.69 0.02 0.00 0.00 177.57 179.17 1s03 s VAL 71 N -3.10 4.20 0.05 2.57 1.01 -1.26 -4.91 120.40 118.97 1s03 s VAL 71 Ca -0.05 0.92 -0.03 0.00 0.00 0.00 0.00 61.98 62.82 1s03 s VAL 71 Cb 0.09 -4.62 -0.28 0.00 0.00 0.00 0.00 36.38 31.57 1s03 s VAL 71 CO 0.86 -1.12 1.05 -0.33 0.00 0.00 0.00 175.10 175.57 1s03 h GLU 72 N 9.33 0.24 -2.25 2.72 5.08 -1.80 -3.47 114.58 124.44 1s03 h GLU 72 Ca -0.24 -0.41 -0.07 0.00 -1.00 0.00 0.00 59.36 57.64 1s03 h GLU 72 Cb 1.06 0.15 -0.22 0.00 0.50 0.00 0.00 28.75 30.25 1s03 h GLU 72 CO 1.13 1.16 0.02 -1.54 -1.00 0.00 0.00 179.01 178.77 1s03 s SER 73 N -7.04 -0.63 -0.11 1.42 1.04 -1.26 -4.99 113.70 102.12 1s03 s SER 73 Ca -0.05 1.15 -0.02 0.00 0.48 0.00 0.00 55.95 57.51 1s03 s SER 73 Cb 0.07 1.16 0.04 0.00 0.10 0.00 0.00 66.02 67.39 1s03 s SER 73 CO 0.87 -0.26 0.02 -0.51 0.98 0.00 0.00 173.24 174.34 1s03 s ILE 74 N 0.13 0.37 -0.02 -1.02 2.07 -1.26 -0.86 121.20 120.60 1s03 s ILE 74 Ca -0.02 -0.08 0.07 0.00 -1.41 0.00 0.00 60.65 59.21 1s03 s ILE 74 Cb -0.04 -0.67 -0.02 0.00 0.13 0.00 0.00 42.46 41.87 1s03 s ILE 74 CO 0.02 0.09 -0.24 -1.10 -1.91 0.00 0.00 174.94 171.80 1s03 s GLN 75 N 1.96 2.02 0.46 3.50 -0.21 0.05 -4.95 119.66 122.48 1s03 s GLN 75 Ca 0.03 -0.86 -0.24 0.00 0.02 0.00 0.00 55.36 54.32 1s03 s GLN 75 Cb -0.14 -1.91 -0.07 0.00 1.00 0.00 0.00 33.01 31.89 1s03 s GLN 75 CO -0.06 0.49 1.22 1.03 -2.12 0.00 0.00 175.29 175.85 1s03 s ARG 76 N -0.49 3.73 0.00 2.91 0.52 -1.26 -1.39 118.95 122.97 1s03 s ARG 76 Ca 0.07 1.93 0.00 0.00 -0.52 0.00 0.00 55.73 57.21 1s03 s ARG 76 Cb -0.10 -2.48 0.00 0.00 0.52 0.00 0.00 34.95 32.89 1s03 s ARG 76 CO -0.00 -0.62 0.00 0.28 0.02 0.00 0.00 175.30 174.98 1s03 n VAL 77 N -0.39 0.00 -1.99 3.52 0.31 -1.03 -4.83 118.33 113.92 1s03 n VAL 77 Ca 0.07 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.01 1s03 n VAL 77 Cb 0.46 -0.44 0.01 0.00 -0.91 0.00 0.00 33.84 32.96 1s03 n VAL 77 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1s03 s SER 78 N 0.87 6.05 0.01 4.52 0.15 -0.36 -4.87 113.70 120.07 1s03 s SER 78 Ca 0.00 2.67 -0.18 0.00 0.70 0.00 0.00 55.95 59.15 1s03 s SER 78 Cb 0.00 -2.64 0.03 0.00 -1.71 0.00 0.00 66.02 61.71 1s03 s SER 78 CO 0.00 -1.03 0.39 -0.13 1.20 0.00 0.00 173.24 173.67 1s03 s ARG 79 N -2.44 0.81 0.16 5.44 0.52 -0.88 -4.89 118.95 117.67 1s03 s ARG 79 Ca 0.61 -0.22 -0.31 0.00 -0.52 0.00 0.00 55.73 55.28 1s03 s ARG 79 Cb -0.38 0.36 -0.11 0.00 0.52 0.00 0.00 34.95 35.35 1s03 s ARG 79 CO 0.48 -0.25 1.70 -1.25 0.02 0.00 0.00 175.30 176.00 1s03 s PRO 80 N -1.81 4.16 0.00 3.54 0.04 -1.26 -0.08 135.00 139.59 1s03 s PRO 80 Ca -0.10 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1s03 s PRO 80 Cb -0.03 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1s03 s PRO 80 CO 0.02 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.74 1s03 n GLY 81 N 3.98 3.09 3.03 0.56 0.00 -1.26 -4.93 105.19 109.66 1s03 n GLY 81 Ca 0.16 -1.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.05 1s03 n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s03 s LEU 82 N 0.00 -1.03 0.18 0.99 0.20 0.88 -5.14 118.68 114.75 1s03 s LEU 82 Ca 0.00 -0.78 -0.30 0.00 0.69 0.00 0.00 54.13 53.74 1s03 s LEU 82 Cb 0.00 1.46 -0.08 0.00 -0.43 0.00 0.00 46.19 47.14 1s03 s LEU 82 CO 0.00 -0.24 1.12 -0.13 -0.29 0.00 0.00 176.35 176.81 1s03 s ARG 83 N 2.00 4.57 -0.19 1.98 3.00 -1.13 -2.08 118.95 127.10 1s03 s ARG 83 Ca 0.14 1.75 0.01 0.00 0.00 0.00 0.00 55.73 57.64 1s03 s ARG 83 Cb -0.09 -3.27 0.03 0.00 0.00 0.00 0.00 34.95 31.62 1s03 s ARG 83 CO -0.13 0.03 -0.17 0.42 0.00 0.00 0.00 175.30 175.45 1s03 s ILE 84 N -0.16 1.99 0.09 1.52 -1.09 -1.26 -4.93 121.20 117.37 1s03 s ILE 84 Ca 0.50 -1.05 0.08 0.00 -2.23 0.00 0.00 60.65 57.96 1s03 s ILE 84 Cb -0.30 -1.89 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 1s03 s ILE 84 CO 0.35 0.39 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.93 1s03 s TYR 85 N 1.28 1.85 -0.02 3.97 1.51 -1.26 -1.71 117.35 122.97 1s03 s TYR 85 Ca 0.02 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 1s03 s TYR 85 Cb -0.15 -1.03 0.00 0.00 -0.11 0.00 0.00 41.96 40.68 1s03 s TYR 85 CO -0.11 0.20 -0.07 0.15 -1.11 0.00 0.00 175.55 174.60 1s03 s LYS 86 N -1.78 0.77 0.85 -0.62 -0.14 -0.23 -4.97 119.74 113.62 1s03 s LYS 86 Ca 0.07 -0.25 -0.11 0.00 -1.36 0.00 0.00 55.97 54.32 1s03 s LYS 86 Cb -0.10 -0.74 0.10 0.00 -1.68 0.00 0.00 37.83 35.42 1s03 s LYS 86 CO 0.04 0.10 1.09 1.03 -0.76 0.00 0.00 175.35 176.85 1s03 s ARG 87 N 0.15 1.60 0.25 1.68 0.52 -1.26 -0.31 118.95 121.58 1s03 s ARG 87 Ca -0.02 0.85 -0.06 0.00 -0.52 0.00 0.00 55.73 55.98 1s03 s ARG 87 Cb -0.07 -1.85 0.46 0.00 0.52 0.00 0.00 34.95 34.02 1s03 s ARG 87 CO 0.00 -2.01 1.63 -0.22 0.02 0.00 0.00 175.30 174.72 1s03 h LYS 88 N -1.38 0.10 0.00 3.54 3.64 -1.90 0.96 116.57 121.52 1s03 h LYS 88 Ca -0.48 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1s03 h LYS 88 Cb 1.27 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1s03 h LYS 88 CO 0.55 0.07 0.00 -0.44 -2.27 0.00 0.00 179.45 177.35 1s03 h ASP 89 N 0.10 0.00 0.32 4.20 3.32 -1.92 -3.00 116.42 119.45 1s03 h ASP 89 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1s03 h ASP 89 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1s03 h ASP 89 CO -0.68 0.00 -0.46 -0.62 -1.72 0.00 0.00 179.24 175.76 1s03 n GLU 90 N -2.56 0.37 -1.22 3.56 1.02 0.31 -4.96 120.64 117.16 1s03 n GLU 90 Ca 0.04 -0.24 -0.31 0.00 -0.02 0.00 0.00 57.16 56.63 1s03 n GLU 90 Cb 0.39 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.43 1s03 n GLU 90 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1s03 s LEU 91 N -2.79 2.81 0.04 -4.62 1.43 -1.06 -4.89 118.68 109.60 1s03 s LEU 91 Ca 0.16 1.74 -0.35 0.00 -1.03 0.00 0.00 54.13 54.66 1s03 s LEU 91 Cb 0.18 -4.35 -0.18 0.00 0.03 0.00 0.00 46.19 41.87 1s03 s LEU 91 CO 0.65 -2.24 0.88 -2.65 0.23 0.00 0.00 176.35 173.22 1s03 n PRO 92 N -3.65 0.00 -0.86 1.29 -0.02 -1.26 -4.88 135.00 125.62 1s03 n PRO 92 Ca 0.09 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.50 1s03 n PRO 92 Cb 0.54 -1.29 0.23 0.00 -0.02 0.00 0.00 33.50 32.96 1s03 n PRO 92 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1s03 n LYS 93 N 1.29 2.47 -1.08 -0.52 3.00 -1.26 -4.93 118.16 117.13 1s03 n LYS 93 Ca 0.18 -3.07 0.00 0.00 -0.00 0.00 0.00 58.31 55.42 1s03 n LYS 93 Cb 0.10 -1.97 0.00 0.00 0.00 0.00 0.00 35.03 33.16 1s03 n LYS 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1s03 n VAL 94 N -0.84 0.00 -0.09 3.15 0.31 -1.26 -5.03 118.33 114.57 1s03 n VAL 94 Ca 0.38 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.49 1s03 n VAL 94 Cb 1.20 -0.32 -0.12 0.00 -0.91 0.00 0.00 33.84 33.69 1s03 n VAL 94 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1s03 n MET 95 N -1.54 0.66 -2.05 5.55 0.00 -1.26 -4.76 117.12 113.72 1s03 n MET 95 Ca 0.00 0.25 -0.42 0.00 0.00 0.00 0.00 57.70 57.53 1s03 n MET 95 Cb 0.22 -1.59 -0.03 0.00 0.00 0.00 0.00 33.22 31.82 1s03 n MET 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1s03 s ALA 96 N -2.51 3.64 -0.67 3.17 0.00 -1.26 -4.93 121.76 119.20 1s03 s ALA 96 Ca -0.32 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.69 1s03 s ALA 96 Cb 0.09 -3.66 0.42 0.00 0.00 0.00 0.00 23.12 19.97 1s03 s ALA 96 CO 0.62 -1.04 2.05 0.41 0.00 0.00 0.00 175.76 177.80 1s03 n GLY 97 N 3.86 5.70 0.00 0.00 0.00 -1.26 -4.06 105.19 109.43 1s03 n GLY 97 Ca 0.15 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1s03 n GLY 97 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s03 n LEU 98 N -0.76 0.00 -4.76 0.99 7.94 -1.26 -5.13 117.00 114.01 1s03 n LEU 98 Ca 0.59 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 55.12 1s03 n LEU 98 Cb 0.60 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.56 1s03 n LEU 98 CO 0.73 0.00 0.90 -0.83 -1.11 0.00 0.00 177.39 177.08 1s03 s GLY 99 N 0.00 2.83 0.02 -3.96 0.00 -1.26 -4.76 107.32 100.19 1s03 s GLY 99 Ca 0.00 1.12 0.06 0.00 0.00 0.00 0.00 44.72 45.90 1s03 s GLY 99 CO 0.00 1.61 -0.19 -0.26 0.00 0.00 0.00 173.10 174.26 1s03 s ILE 100 N -1.42 1.53 -0.07 0.90 -4.36 -0.85 -4.98 121.20 111.94 1s03 s ILE 100 Ca 0.66 -0.99 -0.06 0.00 -0.26 0.00 0.00 60.65 59.99 1s03 s ILE 100 Cb -0.34 -1.31 -0.04 0.00 1.25 0.00 0.00 42.46 42.02 1s03 s ILE 100 CO 0.41 0.29 0.17 0.00 0.24 0.00 0.00 174.94 176.05 1s03 s ALA 101 N -0.64 3.89 -0.26 2.27 0.00 -1.26 -1.84 121.76 123.92 1s03 s ALA 101 Ca 0.07 -0.65 -0.12 0.00 0.00 0.00 0.00 51.96 51.26 1s03 s ALA 101 Cb -0.08 -1.97 -0.05 0.00 0.00 0.00 0.00 23.12 21.02 1s03 s ALA 101 CO 0.01 0.65 0.22 0.08 0.00 0.00 0.00 175.76 176.72 1s03 s VAL 102 N -1.13 5.30 -0.05 0.00 1.01 -0.03 -1.00 120.40 124.49 1s03 s VAL 102 Ca 0.20 0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.49 1s03 s VAL 102 Cb -0.12 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1s03 s VAL 102 CO 0.09 0.27 -0.21 -0.69 0.00 0.00 0.00 175.10 174.56 1s03 s VAL 103 N 1.57 2.48 -0.33 2.92 1.01 0.85 -0.80 120.40 128.10 1s03 s VAL 103 Ca 0.09 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 1s03 s VAL 103 Cb -0.15 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 1s03 s VAL 103 CO 0.09 0.57 0.23 -0.55 0.00 0.00 0.00 175.10 175.44 1s03 s SER 104 N -0.40 6.03 0.38 3.32 0.15 0.14 -0.47 113.70 122.85 1s03 s SER 104 Ca 0.04 -0.37 0.08 0.00 0.70 0.00 0.00 55.95 56.39 1s03 s SER 104 Cb -0.12 -2.13 -0.07 0.00 -1.71 0.00 0.00 66.02 61.99 1s03 s SER 104 CO 0.02 -0.21 -0.02 0.42 1.20 0.00 0.00 173.24 174.65 1s03 s THR 105 N 1.72 2.01 -1.71 6.45 -4.23 -0.39 -1.76 115.64 117.73 1s03 s THR 105 Ca 0.06 -2.07 0.10 0.00 -1.18 0.00 0.00 61.69 58.60 1s03 s THR 105 Cb -0.17 -2.86 0.24 0.00 1.34 0.00 0.00 72.50 71.05 1s03 s THR 105 CO 0.10 -0.08 1.14 -1.54 -0.54 0.00 0.00 174.62 173.71 1s03 n SER 106 N -0.88 0.00 -0.56 3.99 3.41 -1.26 -0.69 113.62 117.63 1s03 n SER 106 Ca -0.05 -0.09 0.06 0.00 -0.26 0.00 0.00 58.87 58.53 1s03 n SER 106 Cb 0.66 -0.15 0.10 0.00 -0.26 0.00 0.00 64.21 64.57 1s03 n SER 106 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1s03 n LYS 107 N -1.15 1.77 0.00 4.33 4.76 -1.26 -5.09 118.16 121.52 1s03 n LYS 107 Ca 0.06 -1.64 0.00 0.00 -2.87 0.00 0.00 58.31 53.87 1s03 n LYS 107 Cb 0.06 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 1s03 n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s03 n GLY 108 N 0.59 0.96 3.67 0.72 0.00 0.13 -5.02 105.19 106.24 1s03 n GLY 108 Ca 0.09 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 1s03 n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s03 s VAL 109 N -1.00 4.90 0.31 1.61 1.01 -1.26 -1.26 120.40 124.70 1s03 s VAL 109 Ca 0.00 1.62 -0.04 0.00 0.00 0.00 0.00 61.98 63.56 1s03 s VAL 109 Cb 0.00 -4.13 -0.00 0.00 0.00 0.00 0.00 36.38 32.25 1s03 s VAL 109 CO 0.00 0.05 0.44 0.00 0.00 0.00 0.00 175.10 175.58 1s03 s MET 110 N 2.02 1.77 0.74 2.72 0.00 0.38 -4.90 119.30 122.03 1s03 s MET 110 Ca 0.38 -1.66 -0.11 0.00 0.00 0.00 0.00 55.69 54.30 1s03 s MET 110 Cb -0.17 0.43 0.03 0.00 0.00 0.00 0.00 34.83 35.12 1s03 s MET 110 CO 0.13 -0.72 1.10 0.95 0.00 0.00 0.00 175.02 176.48 1s03 s THR 111 N -3.35 3.32 0.36 3.16 -4.23 -1.26 -0.11 115.64 113.53 1s03 s THR 111 Ca 0.30 0.43 0.04 0.00 -1.18 0.00 0.00 61.69 61.28 1s03 s THR 111 Cb 0.00 -3.35 0.27 0.00 1.34 0.00 0.00 72.50 70.77 1s03 s THR 111 CO 0.18 -0.56 2.00 -2.24 -0.54 0.00 0.00 174.62 173.45 1s03 h ASP 112 N -0.79 0.68 -0.68 3.99 2.03 -1.44 -0.73 116.42 119.49 1s03 h ASP 112 Ca -0.46 -0.01 -0.04 0.00 -0.73 0.00 0.00 57.03 55.79 1s03 h ASP 112 Cb 1.26 -0.16 -0.03 0.00 -0.83 0.00 0.00 39.33 39.57 1s03 h ASP 112 CO 0.63 0.48 0.26 0.03 -1.03 0.00 0.00 179.24 179.60 1s03 h ARG 113 N 0.79 1.05 -0.05 4.15 3.08 -1.92 -2.16 114.38 119.33 1s03 h ARG 113 Ca 0.25 -0.19 -0.24 0.00 0.07 0.00 0.00 59.98 59.87 1s03 h ARG 113 Cb 0.04 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 29.93 1s03 h ARG 113 CO -0.07 0.87 -0.93 0.00 -1.07 0.00 0.00 179.97 178.77 1s03 h ALA 114 N 1.26 0.27 -0.82 0.04 0.00 -1.68 -2.74 119.26 115.59 1s03 h ALA 114 Ca 0.23 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1s03 h ALA 114 Cb 0.23 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1s03 h ALA 114 CO -0.02 0.72 0.49 0.00 0.00 0.00 0.00 179.25 180.44 1s03 h ALA 115 N 0.56 1.32 -0.52 0.00 0.00 -1.08 -2.00 119.26 117.54 1s03 h ALA 115 Ca -0.09 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1s03 h ALA 115 Cb 1.56 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1s03 h ALA 115 CO 0.18 0.58 0.06 0.00 0.00 0.00 0.00 179.25 180.07 1s03 h ARG 116 N 1.13 0.84 0.00 0.00 3.08 -1.26 -1.09 114.38 117.08 1s03 h ARG 116 Ca 0.29 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 1s03 h ARG 116 Cb -0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1s03 h ARG 116 CO -0.05 0.80 -0.35 0.37 -1.07 0.00 0.00 179.97 179.67 1s03 h GLN 117 N 0.79 0.00 -0.00 0.04 4.15 -1.15 -2.70 115.11 116.24 1s03 h GLN 117 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1s03 h GLN 117 Cb 0.39 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.08 1s03 h GLN 117 CO 0.01 0.35 -0.54 0.00 -1.93 0.00 0.00 178.83 176.72 1s03 n ALA 118 N -2.26 3.69 -2.46 3.38 0.00 -0.79 -4.96 120.51 117.10 1s03 n ALA 118 Ca 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 53.44 52.98 1s03 n ALA 118 Cb 0.53 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 18.95 1s03 n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s03 n GLY 119 N 1.46 0.50 3.23 0.00 0.00 -0.50 -5.06 105.19 104.82 1s03 n GLY 119 Ca 0.07 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 1s03 n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s03 s LEU 120 N -1.73 2.26 0.00 0.99 1.43 -0.67 -4.89 118.68 116.07 1s03 s LEU 120 Ca 0.07 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1s03 s LEU 120 Cb -0.03 -0.76 0.00 0.00 0.03 0.00 0.00 46.19 45.43 1s03 s LEU 120 CO 0.08 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.30 1s03 n GLY 121 N 1.35 2.78 0.00 -3.19 0.00 -1.26 -4.15 105.19 100.71 1s03 n GLY 121 Ca -0.19 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.79 1s03 n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s03 n GLY 122 N 5.00 -1.30 3.75 -0.02 0.00 0.57 -4.56 105.19 108.64 1s03 n GLY 122 Ca 0.00 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 1s03 n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s03 s GLU 123 N -1.93 4.53 -0.48 1.61 2.12 -0.72 -1.07 118.70 122.75 1s03 s GLU 123 Ca 0.00 1.12 -0.22 0.00 0.36 0.00 0.00 54.97 56.24 1s03 s GLU 123 Cb 0.00 -3.35 0.04 0.00 0.26 0.00 0.00 34.13 31.08 1s03 s GLU 123 CO 0.00 0.32 0.73 0.42 -0.54 0.00 0.00 175.26 176.20 1s03 s ILE 124 N -0.23 4.71 -0.03 -3.70 1.01 -0.69 -0.68 121.20 121.58 1s03 s ILE 124 Ca 0.39 0.05 -0.23 0.00 0.00 0.00 0.00 60.65 60.85 1s03 s ILE 124 Cb -0.21 -4.33 -0.22 0.00 0.01 0.00 0.00 42.46 37.71 1s03 s ILE 124 CO 0.24 -0.80 1.09 0.40 0.00 0.00 0.00 174.94 175.87 1s03 h ILE 125 N 5.93 1.50 -2.64 2.92 2.04 -1.30 -0.95 117.51 125.01 1s03 h ILE 125 Ca -0.26 -1.85 0.12 0.00 1.00 0.00 0.00 64.86 63.87 1s03 h ILE 125 Cb 1.09 2.60 -0.06 0.00 -0.74 0.00 0.00 36.82 39.72 1s03 h ILE 125 CO 0.97 0.51 0.39 0.00 0.00 0.00 0.00 178.15 180.03 1s03 s TYR 127 N -3.25 2.65 0.03 0.00 4.12 -0.48 -0.85 117.35 119.56 1s03 s TYR 127 Ca 0.13 -0.29 0.06 0.00 0.02 0.00 0.00 57.07 56.99 1s03 s TYR 127 Cb -0.03 -1.64 -0.02 0.00 -1.52 0.00 0.00 41.96 38.75 1s03 s TYR 127 CO 0.05 0.08 -0.19 0.08 0.02 0.00 0.00 175.55 175.59 1s03 s VAL 128 N -0.54 1.50 0.00 0.71 1.01 -0.77 -0.77 120.40 121.55 1s03 s VAL 128 Ca 0.07 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1s03 s VAL 128 Cb -0.11 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.96 1s03 s VAL 128 CO 0.01 0.21 0.00 0.00 0.00 0.00 0.00 175.10 175.33