#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1si9 s ARG 4 N 0.00 4.19 -0.32 1.09 1.70 -1.26 -5.04 118.95 119.31 1si9 s ARG 4 Ca 0.00 1.53 -0.06 0.00 -0.47 0.00 0.00 55.73 56.73 1si9 s ARG 4 Cb 0.00 -2.58 0.03 0.00 -0.57 0.00 0.00 34.95 31.84 1si9 s ARG 4 CO 0.00 -0.12 0.08 -0.08 -1.08 0.00 0.00 175.30 174.10 1si9 s THR 5 N -1.63 3.69 0.59 4.99 -1.32 -1.26 -5.09 115.64 115.60 1si9 s THR 5 Ca 0.57 -1.08 -0.15 0.00 -1.21 0.00 0.00 61.69 59.82 1si9 s THR 5 Cb -0.22 -3.05 -0.04 0.00 -1.51 0.00 0.00 72.50 67.67 1si9 s THR 5 CO 0.28 -0.11 1.04 -2.16 -2.21 0.00 0.00 174.62 171.46 1si9 s PRO 6 N 1.40 3.43 -0.26 7.08 0.04 -1.26 -5.03 135.00 140.41 1si9 s PRO 6 Ca -0.01 1.11 -0.19 0.00 0.04 0.00 0.00 61.00 61.95 1si9 s PRO 6 Cb -0.19 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 1si9 s PRO 6 CO 0.02 -0.71 0.56 0.21 0.04 0.00 0.00 177.00 177.12 1si9 s LYS 7 N -4.20 4.09 0.57 4.56 2.47 -1.26 -5.06 119.74 120.91 1si9 s LYS 7 Ca 0.62 0.41 -0.16 0.00 -1.56 0.00 0.00 55.97 55.27 1si9 s LYS 7 Cb -0.14 -3.65 -0.05 0.00 -1.46 0.00 0.00 37.83 32.53 1si9 s LYS 7 CO 0.38 -0.37 1.04 -0.51 0.16 0.00 0.00 175.35 176.05 1si9 s LEU 8 N 2.37 3.53 -0.11 5.43 1.43 -1.26 -4.38 118.68 125.69 1si9 s LEU 8 Ca 0.23 1.74 0.03 0.00 -1.03 0.00 0.00 54.13 55.10 1si9 s LEU 8 Cb -0.16 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.53 1si9 s LEU 8 CO 0.09 -1.00 -0.20 -0.69 0.23 0.00 0.00 176.35 174.77 1si9 s VAL 9 N -2.52 2.38 -0.15 -1.59 1.01 -0.01 -1.40 120.40 118.14 1si9 s VAL 9 Ca 0.62 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1si9 s VAL 9 Cb -0.14 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 1si9 s VAL 9 CO 0.36 0.55 -0.07 -0.75 0.00 0.00 0.00 175.10 175.19 1si9 s LYS 10 N 0.30 3.58 -0.35 2.72 2.47 0.51 -0.60 119.74 128.36 1si9 s LYS 10 Ca -0.15 -0.57 -0.06 0.00 -1.56 0.00 0.00 55.97 53.62 1si9 s LYS 10 Cb -0.17 -2.82 0.05 0.00 -1.46 0.00 0.00 37.83 33.42 1si9 s LYS 10 CO 0.08 0.23 0.11 -1.58 0.16 0.00 0.00 175.35 174.35 1si9 s HIS 11 N 0.36 3.28 -0.21 4.03 5.65 0.40 -1.57 115.29 127.23 1si9 s HIS 11 Ca -0.06 -1.52 -0.04 0.00 0.25 0.00 0.00 55.06 53.69 1si9 s HIS 11 Cb -0.15 -2.37 -0.01 0.00 -1.18 0.00 0.00 32.58 28.87 1si9 s HIS 11 CO 0.04 -0.76 -0.04 0.99 -0.65 0.00 0.00 174.74 174.32 1si9 s THR 12 N 1.38 3.53 -0.17 0.89 2.01 -0.66 -1.14 115.64 121.49 1si9 s THR 12 Ca -0.01 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 1si9 s THR 12 Cb -0.20 -2.59 -0.01 0.00 0.01 0.00 0.00 72.50 69.71 1si9 s THR 12 CO 0.02 0.43 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.05 1si9 s LEU 13 N 1.21 2.64 -0.04 4.42 2.96 -0.45 -1.71 118.68 127.72 1si9 s LEU 13 Ca 0.03 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 1si9 s LEU 13 Cb -0.14 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 1si9 s LEU 13 CO -0.01 0.07 0.00 -0.76 -1.32 0.00 0.00 176.35 174.34 1si9 s LEU 14 N 0.90 3.55 0.04 -0.68 1.43 0.24 -0.66 118.68 123.49 1si9 s LEU 14 Ca -0.03 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1si9 s LEU 14 Cb -0.15 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 1si9 s LEU 14 CO -0.01 0.32 -0.05 0.42 0.23 0.00 0.00 176.35 177.27 1si9 s THR 15 N -1.00 0.31 -0.01 5.49 -4.23 -0.66 -1.62 115.64 113.93 1si9 s THR 15 Ca 0.17 -1.30 0.08 0.00 -1.18 0.00 0.00 61.69 59.46 1si9 s THR 15 Cb -0.11 -0.83 -0.02 0.00 1.34 0.00 0.00 72.50 72.87 1si9 s THR 15 CO 0.07 -0.64 -0.26 -0.60 -0.54 0.00 0.00 174.62 172.65 1si9 s ARG 16 N -2.40 2.06 0.10 3.99 3.52 -1.04 -0.84 118.95 124.34 1si9 s ARG 16 Ca -0.05 -0.96 -0.08 0.00 -0.13 0.00 0.00 55.73 54.51 1si9 s ARG 16 Cb -0.04 -2.04 -0.06 0.00 -1.56 0.00 0.00 34.95 31.25 1si9 s ARG 16 CO -0.03 0.55 0.39 -0.06 -0.81 0.00 0.00 175.30 175.33 1si9 s PHE 17 N -0.66 3.54 0.44 5.12 0.40 -1.26 -0.82 117.98 124.74 1si9 s PHE 17 Ca 0.10 0.70 -0.25 0.00 -0.60 0.00 0.00 56.93 56.89 1si9 s PHE 17 Cb -0.10 -2.10 -0.10 0.00 0.51 0.00 0.00 43.02 41.23 1si9 s PHE 17 CO -0.00 0.49 1.17 1.63 0.70 0.00 0.00 175.22 179.21 1si9 n LYS 18 N 0.64 1.67 -0.19 0.44 5.02 0.08 -4.59 118.16 121.24 1si9 n LYS 18 Ca -0.06 0.60 0.13 0.00 -2.02 0.00 0.00 58.31 56.95 1si9 n LYS 18 Cb 0.52 -2.27 0.45 0.00 -0.02 0.00 0.00 35.03 33.71 1si9 n LYS 18 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1si9 h ASP 19 N 1.79 0.50 0.44 4.39 3.32 -1.97 -1.23 116.42 123.66 1si9 h ASP 19 Ca -0.47 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1si9 h ASP 19 Cb 1.31 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1si9 h ASP 19 CO 0.58 0.27 -0.12 -0.62 -1.72 0.00 0.00 179.24 177.63 1si9 n GLU 20 N -4.50 0.55 -2.65 3.56 4.71 -1.26 -4.81 120.64 116.25 1si9 n GLU 20 Ca 0.14 -0.18 -0.37 0.00 -0.01 0.00 0.00 57.16 56.75 1si9 n GLU 20 Cb 0.45 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.33 1si9 n GLU 20 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1si9 s ILE 21 N -2.57 3.94 0.21 -3.67 -1.09 -0.46 -5.03 121.20 112.52 1si9 s ILE 21 Ca 0.26 1.52 0.07 0.00 -2.23 0.00 0.00 60.65 60.27 1si9 s ILE 21 Cb 0.20 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 1si9 s ILE 21 CO 0.50 0.05 0.11 0.28 -1.23 0.00 0.00 174.94 174.65 1si9 s THR 22 N -1.66 4.21 0.17 2.92 -1.32 -1.26 -4.96 115.64 113.74 1si9 s THR 22 Ca 0.55 -1.34 -0.15 0.00 -1.21 0.00 0.00 61.69 59.53 1si9 s THR 22 Cb -0.20 -3.20 0.06 0.00 -1.51 0.00 0.00 72.50 67.65 1si9 s THR 22 CO 0.26 -0.22 1.73 0.03 -2.21 0.00 0.00 174.62 174.21 1si9 h ARG 23 N 2.11 0.24 -0.38 7.08 3.08 -1.99 -1.73 114.38 122.79 1si9 h ARG 23 Ca -0.47 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 59.61 1si9 h ARG 23 Cb 1.22 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.17 1si9 h ARG 23 CO 0.61 0.16 0.11 1.49 -1.07 0.00 0.00 179.97 181.27 1si9 h GLU 24 N 0.25 0.24 -0.49 0.04 4.81 -1.99 -0.47 114.58 116.98 1si9 h GLU 24 Ca 0.20 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1si9 h GLU 24 Cb 0.23 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1si9 h GLU 24 CO -0.24 0.16 0.27 1.96 -0.73 0.00 0.00 179.01 180.43 1si9 h GLN 25 N 0.25 0.52 -0.14 1.92 4.20 -1.81 -0.42 115.11 119.63 1si9 h GLN 25 Ca 0.18 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1si9 h GLN 25 Cb 0.19 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1si9 h GLN 25 CO -0.21 0.34 -0.05 0.82 -0.67 0.00 0.00 178.83 179.07 1si9 h ILE 26 N 0.54 1.30 -0.41 2.54 2.04 -0.93 -0.86 117.51 121.73 1si9 h ILE 26 Ca 0.20 -1.04 0.07 0.00 1.00 0.00 0.00 64.86 65.09 1si9 h ILE 26 Cb 0.07 1.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 1si9 h ILE 26 CO -0.12 0.30 0.07 0.44 0.00 0.00 0.00 178.15 178.84 1si9 h ASP 27 N -0.05 -0.02 -0.77 1.72 3.32 -0.90 0.69 116.42 120.41 1si9 h ASP 27 Ca 0.03 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1si9 h ASP 27 Cb 0.49 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 1si9 h ASP 27 CO 0.02 0.03 0.42 0.78 -1.72 0.00 0.00 179.24 178.76 1si9 h ASN 28 N 0.19 0.97 -0.09 6.45 2.35 -0.90 -1.69 115.58 122.87 1si9 h ASN 28 Ca 0.20 -0.10 -0.16 0.00 -0.55 0.00 0.00 56.30 55.69 1si9 h ASN 28 Cb 0.25 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1si9 h ASN 28 CO -0.27 0.79 -0.49 1.88 -1.65 0.00 0.00 177.43 177.69 1si9 h TYR 29 N 1.07 0.80 -0.55 1.19 0.99 -0.55 -1.36 116.97 118.57 1si9 h TYR 29 Ca 0.27 -0.26 -0.06 0.00 2.00 0.00 0.00 58.73 60.68 1si9 h TYR 29 Cb 0.04 -0.16 -0.02 0.00 1.00 0.00 0.00 36.73 37.59 1si9 h TYR 29 CO 0.00 1.01 0.11 0.82 -0.00 0.00 0.00 178.16 180.10 1si9 h ILE 30 N 0.52 1.23 -0.68 -2.88 2.04 -0.66 0.13 117.51 117.21 1si9 h ILE 30 Ca 0.03 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 1si9 h ILE 30 Cb 1.03 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1si9 h ILE 30 CO 0.10 0.32 0.31 0.78 0.00 0.00 0.00 178.15 179.67 1si9 h ASN 31 N 0.83 0.91 -0.43 1.72 -0.26 -1.03 -1.25 115.58 116.07 1si9 h ASN 31 Ca 0.18 -0.14 -0.04 0.00 -0.56 0.00 0.00 56.30 55.73 1si9 h ASN 31 Cb 0.33 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.34 1si9 h ASN 31 CO 0.00 0.80 0.13 0.44 -1.06 0.00 0.00 177.43 177.74 1si9 h ASP 32 N 0.96 0.68 -0.12 5.81 3.32 -0.59 -1.47 116.42 125.01 1si9 h ASP 32 Ca 0.23 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 1si9 h ASP 32 Cb 0.14 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1si9 h ASP 32 CO -0.03 0.67 -0.08 0.22 -1.72 0.00 0.00 179.24 178.30 1si9 h TYR 33 N 0.72 0.31 -0.74 4.55 -0.00 -0.45 -2.93 116.97 118.42 1si9 h TYR 33 Ca 0.16 -0.08 0.04 0.00 -0.00 0.00 0.00 58.73 58.84 1si9 h TYR 33 Cb 0.25 -0.07 -0.04 0.00 -0.00 0.00 0.00 36.73 36.87 1si9 h TYR 33 CO 0.01 0.64 0.49 1.15 -0.00 0.00 0.00 178.16 180.45 1si9 h THR 34 N -0.10 1.11 -0.26 1.81 2.02 -1.11 -1.61 112.91 114.77 1si9 h THR 34 Ca 0.02 -0.31 0.08 0.00 0.77 0.00 0.00 66.41 66.97 1si9 h THR 34 Cb 0.57 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1si9 h THR 34 CO 0.02 0.16 0.21 -1.13 0.37 0.00 0.00 175.52 175.16 1si9 h ASN 35 N 0.90 0.00 -0.42 4.18 -1.24 -1.08 -1.87 115.58 116.05 1si9 h ASN 35 Ca 0.30 0.00 0.10 0.00 0.71 0.00 0.00 56.30 57.40 1si9 h ASN 35 Cb 0.07 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 1si9 h ASN 35 CO -0.09 0.00 0.29 -0.07 -1.29 0.00 0.00 177.43 176.28 1si9 h LEU 36 N 0.00 0.12 -0.79 0.34 4.07 -1.26 -0.35 115.31 117.44 1si9 h LEU 36 Ca 0.12 0.00 0.18 0.00 0.08 0.00 0.00 57.88 58.27 1si9 h LEU 36 Cb 0.54 -0.02 -0.12 0.00 1.08 0.00 0.00 40.66 42.14 1si9 h LEU 36 CO -0.00 0.07 0.19 -0.07 -1.08 0.00 0.00 178.44 177.55 1si9 h LEU 37 N 0.13 -0.01 -0.33 1.67 3.38 -1.50 0.40 115.31 119.05 1si9 h LEU 37 Ca 0.20 0.16 -0.19 0.00 0.09 0.00 0.00 57.88 58.14 1si9 h LEU 37 Cb 0.60 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1si9 h LEU 37 CO -0.02 -0.08 -0.82 -0.78 0.09 0.00 0.00 178.44 176.83 1si9 h ASP 38 N 0.25 0.41 1.50 -0.43 -0.00 -1.25 -3.29 116.42 113.60 1si9 h ASP 38 Ca 0.46 -0.30 -0.00 0.00 -0.00 0.00 0.00 57.03 57.19 1si9 h ASP 38 Cb 0.83 -0.12 -0.00 0.00 -0.00 0.00 0.00 39.33 40.04 1si9 h ASP 38 CO -0.57 1.06 -0.50 -0.07 -0.00 0.00 0.00 179.24 179.16 1si9 h LEU 39 N 0.21 0.00 -7.71 2.28 3.38 -1.15 -3.42 115.31 108.89 1si9 h LEU 39 Ca -0.04 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.26 1si9 h LEU 39 Cb 1.41 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.77 1si9 h LEU 39 CO 0.13 0.02 -0.71 -0.63 0.09 0.00 0.00 178.44 177.34 1si9 s ILE 40 N -3.28 2.37 0.50 1.22 1.01 0.06 -4.98 121.20 118.11 1si9 s ILE 40 Ca 0.03 -2.30 0.38 0.00 0.00 0.00 0.00 60.65 58.75 1si9 s ILE 40 Cb 0.07 -2.73 0.40 0.00 0.01 0.00 0.00 42.46 40.21 1si9 s ILE 40 CO 0.73 -0.59 2.23 1.55 0.00 0.00 0.00 174.94 178.86 1si9 h PRO 41 N 7.65 0.00 0.00 2.79 0.13 -1.83 -2.22 132.00 138.53 1si9 h PRO 41 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1si9 h PRO 41 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1si9 h PRO 41 CO 0.53 0.02 0.00 0.66 -0.23 0.00 0.00 178.00 178.99 1si9 h SER 42 N 0.00 0.00 -3.23 1.44 4.64 -1.93 -3.44 113.55 111.03 1si9 h SER 42 Ca -0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 1si9 h SER 42 Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1si9 h SER 42 CO 0.00 0.00 0.54 -0.32 -0.87 0.00 0.00 176.83 176.18 1si9 s MET 43 N -3.22 4.45 -0.20 4.77 0.00 -0.84 -4.45 119.30 119.81 1si9 s MET 43 Ca 0.08 1.63 0.17 0.00 0.00 0.00 0.00 55.69 57.57 1si9 s MET 43 Cb 0.09 -3.44 -0.25 0.00 0.00 0.00 0.00 34.83 31.24 1si9 s MET 43 CO 0.60 -0.24 0.07 1.63 0.00 0.00 0.00 175.02 177.07 1si9 n LYS 44 N 4.26 0.69 -3.52 4.11 4.76 0.10 -5.01 118.16 123.55 1si9 n LYS 44 Ca 0.09 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.39 1si9 n LYS 44 Cb 0.48 -1.52 -0.04 0.00 -1.84 0.00 0.00 35.03 32.10 1si9 n LYS 44 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1si9 s SER 45 N -5.55 -0.50 -0.03 4.39 1.04 -1.22 -4.99 113.70 106.84 1si9 s SER 45 Ca -0.11 0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.48 1si9 s SER 45 Cb 0.06 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.75 1si9 s SER 45 CO 0.82 -0.80 0.03 0.12 0.98 0.00 0.00 173.24 174.39 1si9 s PHE 46 N -2.80 0.10 0.03 5.02 2.19 -1.26 -1.47 117.98 119.79 1si9 s PHE 46 Ca -0.03 0.14 -0.00 0.00 0.33 0.00 0.00 56.93 57.36 1si9 s PHE 46 Cb -0.00 -0.34 -0.03 0.00 -1.31 0.00 0.00 43.02 41.33 1si9 s PHE 46 CO -0.05 -0.13 -0.03 -0.80 1.83 0.00 0.00 175.22 176.05 1si9 s ASN 47 N 1.39 0.33 0.22 6.13 0.01 -0.48 -5.00 114.94 117.53 1si9 s ASN 47 Ca -0.05 -0.68 -0.15 0.00 -0.71 0.00 0.00 52.86 51.27 1si9 s ASN 47 Cb -0.13 0.14 0.01 0.00 0.41 0.00 0.00 41.25 41.68 1si9 s ASN 47 CO -0.03 -0.41 0.50 -1.66 -1.51 0.00 0.00 177.10 174.00 1si9 s TRP 48 N -2.33 0.12 0.05 2.20 1.48 -1.26 0.14 118.94 119.34 1si9 s TRP 48 Ca -0.08 -0.49 -0.21 0.00 -1.06 0.00 0.00 56.10 54.26 1si9 s TRP 48 Cb -0.04 0.30 0.07 0.00 -1.16 0.00 0.00 33.47 32.65 1si9 s TRP 48 CO -0.04 -0.97 0.96 0.41 -4.06 0.00 0.00 176.95 173.25 1si9 n GLY 49 N -0.36 0.47 3.42 3.67 0.00 -0.61 -5.00 105.19 106.78 1si9 n GLY 49 Ca -0.06 -1.05 -0.25 0.00 0.00 0.00 0.00 46.02 44.66 1si9 n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1si9 s THR 50 N -2.09 2.28 -0.26 2.61 -4.23 -1.26 -1.13 115.64 111.57 1si9 s THR 50 Ca 0.22 -2.09 -0.43 0.00 -1.18 0.00 0.00 61.69 58.22 1si9 s THR 50 Cb -0.01 -2.11 -0.19 0.00 1.34 0.00 0.00 72.50 71.53 1si9 s THR 50 CO 0.02 -0.21 1.43 -0.67 -0.54 0.00 0.00 174.62 174.65 1si9 n ASP 51 N 0.10 1.06 0.01 3.99 4.64 -0.30 -4.85 116.55 121.19 1si9 n ASP 51 Ca -0.11 1.16 0.13 0.00 -1.38 0.00 0.00 54.79 54.58 1si9 n ASP 51 Cb 0.57 -0.96 0.36 0.00 -1.04 0.00 0.00 41.12 40.05 1si9 n ASP 51 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1si9 n LEU 52 N 3.30 0.38 -0.90 -2.67 4.77 -1.26 -4.95 117.00 115.66 1si9 n LEU 52 Ca 0.26 0.19 -0.07 0.00 -0.03 0.00 0.00 56.01 56.35 1si9 n LEU 52 Cb 0.04 -0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1si9 n LEU 52 CO 0.77 0.06 -0.08 0.61 -1.33 0.00 0.00 177.39 177.43 1si9 n GLY 53 N 1.48 0.11 0.45 -0.72 0.00 -1.26 -4.93 105.19 100.32 1si9 n GLY 53 Ca 0.06 -0.56 0.09 0.00 0.00 0.00 0.00 46.02 45.61 1si9 n GLY 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1si9 n MET 54 N -1.73 1.55 -4.16 1.61 2.81 -1.26 -5.00 117.12 110.94 1si9 n MET 54 Ca -0.08 -0.97 -0.22 0.00 -1.81 0.00 0.00 57.70 54.62 1si9 n MET 54 Cb 0.56 -1.34 -0.05 0.00 -0.71 0.00 0.00 33.22 31.67 1si9 n MET 54 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1si9 s GLU 55 N -2.02 2.65 0.07 0.03 0.41 -1.26 -5.06 118.70 113.52 1si9 s GLU 55 Ca 0.16 -1.23 -0.37 0.00 -0.41 0.00 0.00 54.97 53.12 1si9 s GLU 55 Cb 0.15 -2.39 -0.18 0.00 -1.78 0.00 0.00 34.13 29.93 1si9 s GLU 55 CO 0.43 0.35 1.12 0.45 -0.49 0.00 0.00 175.26 177.12 1si9 n SER 56 N -1.08 0.61 0.26 -0.19 2.88 -1.26 -4.78 113.62 110.05 1si9 n SER 56 Ca -0.07 1.14 0.18 0.00 -1.33 0.00 0.00 58.87 58.79 1si9 n SER 56 Cb 0.59 -1.06 0.82 0.00 -0.75 0.00 0.00 64.21 63.81 1si9 n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1si9 h ALA 57 N 3.34 1.00 0.00 -1.46 0.00 -1.98 -2.23 119.26 117.93 1si9 h ALA 57 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1si9 h ALA 57 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1si9 h ALA 57 CO 0.69 0.00 -0.39 1.05 0.00 0.00 0.00 179.25 180.60 1si9 h GLU 58 N 0.00 0.00 0.00 0.00 9.09 -2.04 -3.39 114.58 118.24 1si9 h GLU 58 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 1si9 h GLU 58 Cb 0.25 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.34 1si9 h GLU 58 CO 0.00 0.00 -0.22 -0.07 0.05 0.00 0.00 179.01 178.77 1si9 h LEU 59 N 0.00 0.00 0.00 3.06 4.07 -1.75 -0.80 115.31 119.89 1si9 h LEU 59 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1si9 h LEU 59 Cb 0.99 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1si9 h LEU 59 CO 0.00 0.22 0.00 -0.46 -1.08 0.00 0.00 178.44 177.12 1si9 n ASN 60 N -3.86 0.00 -3.95 -0.43 6.94 -1.26 -4.93 115.26 107.77 1si9 n ASN 60 Ca -0.02 0.34 -0.30 0.00 -0.02 0.00 0.00 54.58 54.58 1si9 n ASN 60 Cb 0.31 -0.45 0.02 0.00 -2.36 0.00 0.00 39.78 37.30 1si9 n ASN 60 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1si9 n ARG 61 N -1.45 -5.11 0.00 -3.83 5.12 -0.31 -1.36 116.66 109.72 1si9 n ARG 61 Ca 0.09 0.56 0.00 0.00 -1.93 0.00 0.00 57.85 56.57 1si9 n ARG 61 Cb 0.31 -5.39 0.00 0.00 -1.16 0.00 0.00 32.46 26.22 1si9 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1si9 n GLY 62 N -1.65 2.60 3.71 -0.13 0.00 -1.26 -5.01 105.19 103.44 1si9 n GLY 62 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1si9 n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1si9 s TYR 63 N -2.14 3.48 -0.11 1.61 1.51 -0.46 -4.54 117.35 116.69 1si9 s TYR 63 Ca 0.00 1.43 0.14 0.00 -1.01 0.00 0.00 57.07 57.63 1si9 s TYR 63 Cb 0.00 -3.31 -0.20 0.00 -0.11 0.00 0.00 41.96 38.34 1si9 s TYR 63 CO 0.00 -0.83 0.13 0.25 -1.11 0.00 0.00 175.55 173.98 1si9 n THR 64 N 4.02 0.76 -4.64 -0.71 -2.24 -0.02 -4.80 114.28 106.65 1si9 n THR 64 Ca 0.08 -0.56 -0.27 0.00 -2.27 0.00 0.00 64.05 61.03 1si9 n THR 64 Cb 0.48 -0.41 -0.14 0.00 -2.10 0.00 0.00 70.33 68.15 1si9 n THR 64 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1si9 s HIS 65 N -2.55 1.99 -0.04 4.78 3.76 -0.88 -1.15 115.29 121.20 1si9 s HIS 65 Ca -0.07 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 54.48 1si9 s HIS 65 Cb 0.06 -1.16 0.00 0.00 1.11 0.00 0.00 32.58 32.59 1si9 s HIS 65 CO 0.62 0.14 -0.12 0.00 -0.85 0.00 0.00 174.74 174.53 1si9 s ALA 66 N -0.87 1.15 -0.10 -1.40 0.00 -0.29 -1.65 121.76 118.60 1si9 s ALA 66 Ca 0.09 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.61 1si9 s ALA 66 Cb -0.09 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.62 1si9 s ALA 66 CO 0.03 0.18 -0.13 -0.06 0.00 0.00 0.00 175.76 175.77 1si9 s PHE 67 N 0.24 1.77 -0.22 0.00 0.40 0.16 -1.57 117.98 118.76 1si9 s PHE 67 Ca -0.06 -0.80 -0.00 0.00 -0.60 0.00 0.00 56.93 55.47 1si9 s PHE 67 Cb -0.11 -1.31 0.02 0.00 0.51 0.00 0.00 43.02 42.14 1si9 s PHE 67 CO 0.02 -0.44 -0.11 -1.21 0.70 0.00 0.00 175.22 174.18 1si9 s GLU 68 N 1.03 2.87 -0.13 0.44 2.02 0.12 -1.34 118.70 123.72 1si9 s GLU 68 Ca -0.07 -0.93 -0.01 0.00 0.02 0.00 0.00 54.97 53.98 1si9 s GLU 68 Cb -0.15 -2.84 -0.02 0.00 0.10 0.00 0.00 34.13 31.22 1si9 s GLU 68 CO -0.01 -0.34 -0.10 -1.12 0.02 0.00 0.00 175.26 173.71 1si9 s SER 69 N 1.30 4.28 -0.09 -0.19 0.01 -0.29 -1.38 113.70 117.34 1si9 s SER 69 Ca 0.01 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1si9 s SER 69 Cb -0.16 -1.60 -0.03 0.00 0.21 0.00 0.00 66.02 64.45 1si9 s SER 69 CO -0.07 0.19 -0.08 -0.89 0.41 0.00 0.00 173.24 172.79 1si9 s THR 70 N 0.23 3.57 0.31 1.44 2.01 -0.54 -0.45 115.64 122.21 1si9 s THR 70 Ca -0.07 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.45 1si9 s THR 70 Cb -0.15 -2.47 -0.06 0.00 0.01 0.00 0.00 72.50 69.83 1si9 s THR 70 CO 0.04 0.57 0.07 -0.36 -0.69 0.00 0.00 174.62 174.26 1si9 s PHE 71 N -0.48 1.84 -1.97 4.92 0.40 0.23 -0.72 117.98 122.20 1si9 s PHE 71 Ca 0.07 -1.04 0.21 0.00 -0.60 0.00 0.00 56.93 55.56 1si9 s PHE 71 Cb -0.12 -1.17 0.01 0.00 0.51 0.00 0.00 43.02 42.25 1si9 s PHE 71 CO 0.02 -0.11 1.04 0.39 0.70 0.00 0.00 175.22 177.26 1si9 n GLU 72 N -0.64 1.44 -3.53 0.44 1.02 -1.26 -0.83 120.64 117.28 1si9 n GLU 72 Ca -0.02 -1.05 -0.08 0.00 -0.02 0.00 0.00 57.16 56.00 1si9 n GLU 72 Cb 0.66 -1.42 -0.02 0.00 -0.02 0.00 0.00 31.44 30.65 1si9 n GLU 72 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1si9 s SER 73 N -2.24 -0.33 0.22 1.62 1.04 -1.26 -4.46 113.70 108.28 1si9 s SER 73 Ca 0.18 -0.04 -0.08 0.00 0.48 0.00 0.00 55.95 56.48 1si9 s SER 73 Cb 0.17 0.38 0.25 0.00 0.10 0.00 0.00 66.02 66.92 1si9 s SER 73 CO 0.49 -0.63 1.84 0.11 0.98 0.00 0.00 173.24 176.03 1si9 h LYS 74 N 2.00 0.83 -0.12 4.02 1.57 -1.95 -2.35 116.57 120.57 1si9 h LYS 74 Ca -0.22 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1si9 h LYS 74 Cb 1.24 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1si9 h LYS 74 CO 0.30 0.55 0.01 1.03 -0.57 0.00 0.00 179.45 180.77 1si9 h SER 75 N 0.86 0.15 -0.25 0.86 0.87 -1.99 0.17 113.55 114.22 1si9 h SER 75 Ca 0.32 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.70 1si9 h SER 75 Cb 0.11 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1si9 h SER 75 CO -0.15 0.17 -0.48 1.23 -0.53 0.00 0.00 176.83 177.08 1si9 h GLY 76 N 0.34 0.83 1.07 5.77 0.00 -1.81 -2.24 103.07 107.03 1si9 h GLY 76 Ca 0.04 -0.98 -0.09 0.00 0.00 0.00 0.00 47.33 46.30 1si9 h GLY 76 CO 0.00 0.88 0.02 -2.00 0.00 0.00 0.00 176.54 175.43 1si9 h LEU 77 N 0.50 1.02 -0.75 3.11 5.85 -0.92 -2.34 115.31 121.78 1si9 h LEU 77 Ca 0.01 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 1si9 h LEU 77 Cb 1.08 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1si9 h LEU 77 CO 0.11 1.07 0.31 -0.61 -0.34 0.00 0.00 178.44 178.98 1si9 h GLN 78 N 0.94 1.12 -0.50 1.25 5.75 -0.68 0.91 115.11 123.91 1si9 h GLN 78 Ca 0.17 -0.20 0.06 0.00 -0.15 0.00 0.00 58.65 58.53 1si9 h GLN 78 Cb 0.54 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 28.85 1si9 h GLN 78 CO 0.03 0.91 0.21 1.49 -2.65 0.00 0.00 178.83 178.82 1si9 h GLU 79 N 1.08 0.40 -0.43 1.69 4.81 -1.32 -0.39 114.58 120.43 1si9 h GLU 79 Ca 0.25 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.49 1si9 h GLU 79 Cb 0.20 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1si9 h GLU 79 CO -0.02 0.27 0.23 -0.92 -0.73 0.00 0.00 179.01 177.83 1si9 h TYR 80 N 0.42 0.42 0.00 0.92 3.20 -0.83 -2.26 116.97 118.83 1si9 h TYR 80 Ca 0.23 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 1si9 h TYR 80 Cb 0.20 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1si9 h TYR 80 CO -0.13 0.22 -0.26 -0.07 -1.64 0.00 0.00 178.16 176.29 1si9 h LEU 81 N 0.46 0.00 -1.33 2.82 3.38 -0.09 -2.73 115.31 117.82 1si9 h LEU 81 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1si9 h LEU 81 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1si9 h LEU 81 CO -0.11 0.26 -0.08 0.47 0.09 0.00 0.00 178.44 179.06 1si9 n ASP 82 N -4.11 2.15 -4.79 -0.43 10.43 -0.22 -4.90 116.55 114.67 1si9 n ASP 82 Ca -0.02 -1.65 -0.35 0.00 2.57 0.00 0.00 54.79 55.34 1si9 n ASP 82 Cb 0.32 0.07 -0.04 0.00 1.84 0.00 0.00 41.12 43.31 1si9 n ASP 82 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1si9 s SER 83 N -2.10 6.52 0.29 -2.24 1.04 -0.87 -4.96 113.70 111.38 1si9 s SER 83 Ca 0.30 1.97 0.04 0.00 0.48 0.00 0.00 55.95 58.74 1si9 s SER 83 Cb 0.20 -2.57 0.45 0.00 0.10 0.00 0.00 66.02 64.20 1si9 s SER 83 CO 0.37 -0.65 1.73 0.00 0.98 0.00 0.00 173.24 175.66 1si9 h ALA 84 N 1.95 1.13 -0.63 5.32 0.00 -1.91 -2.69 119.26 122.44 1si9 h ALA 84 Ca -0.49 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.01 1si9 h ALA 84 Cb 1.22 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1si9 h ALA 84 CO 0.60 0.55 0.16 0.00 0.00 0.00 0.00 179.25 180.56 1si9 h ALA 85 N 1.35 0.83 -0.39 0.00 0.00 -1.93 -0.57 119.26 118.54 1si9 h ALA 85 Ca 0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1si9 h ALA 85 Cb 0.69 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1si9 h ALA 85 CO 0.05 0.53 0.09 1.25 0.00 0.00 0.00 179.25 181.18 1si9 h LEU 86 N 0.92 0.60 -1.04 0.00 5.85 -1.82 -2.35 115.31 117.47 1si9 h LEU 86 Ca 0.20 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.73 1si9 h LEU 86 Cb 0.35 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1si9 h LEU 86 CO 0.00 0.68 0.64 0.00 -0.34 0.00 0.00 178.44 179.42 1si9 h ALA 87 N 0.94 1.39 -0.28 1.25 0.00 -1.13 0.12 119.26 121.55 1si9 h ALA 87 Ca 0.12 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1si9 h ALA 87 Cb 0.31 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1si9 h ALA 87 CO 0.00 0.50 -0.43 0.00 0.00 0.00 0.00 179.25 179.32 1si9 h ALA 88 N 1.44 0.71 -0.33 0.00 0.00 -0.97 -2.03 119.26 118.08 1si9 h ALA 88 Ca 0.40 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1si9 h ALA 88 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1si9 h ALA 88 CO -0.14 0.67 -0.20 0.35 0.00 0.00 0.00 179.25 179.93 1si9 h PHE 89 N 0.57 0.82 -0.17 0.00 3.04 -0.88 -3.26 116.94 117.07 1si9 h PHE 89 Ca 0.04 -0.22 -0.08 0.00 3.98 0.00 0.00 57.97 61.70 1si9 h PHE 89 Cb 0.98 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 1si9 h PHE 89 CO 0.05 0.94 -0.25 0.00 -2.02 0.00 0.00 178.31 177.03 1si9 h ALA 90 N 0.76 1.28 -0.95 2.41 0.00 -0.59 -1.75 119.26 120.42 1si9 h ALA 90 Ca 0.07 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.77 1si9 h ALA 90 Cb 0.74 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 1si9 h ALA 90 CO 0.06 0.48 0.59 1.49 0.00 0.00 0.00 179.25 181.87 1si9 h GLU 91 N 0.27 0.94 0.00 0.00 4.81 -1.41 -1.62 114.58 117.57 1si9 h GLU 91 Ca 0.04 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.03 1si9 h GLU 91 Cb 0.59 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 1si9 h GLU 91 CO 0.04 0.62 -1.82 0.41 -0.73 0.00 0.00 179.01 177.54 1si9 n GLY 92 N -1.34 -1.10 0.10 1.92 0.00 -1.14 -4.57 105.19 99.05 1si9 n GLY 92 Ca 0.17 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 1si9 n GLY 92 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1si9 h PHE 93 N 0.00 0.32 -0.74 1.61 -0.00 -0.98 -3.39 116.94 113.76 1si9 h PHE 93 Ca -0.23 -0.24 0.01 0.00 -0.00 0.00 0.00 57.97 57.51 1si9 h PHE 93 Cb 1.64 -0.01 -0.04 0.00 -0.00 0.00 0.00 35.95 37.54 1si9 h PHE 93 CO 0.00 1.22 0.49 -0.07 -0.00 0.00 0.00 178.31 179.95 1si9 h LEU 94 N -0.62 0.85 0.00 0.59 4.07 -1.55 -1.75 115.31 116.91 1si9 h LEU 94 Ca -0.11 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.83 1si9 h LEU 94 Cb 1.41 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1si9 h LEU 94 CO 0.08 0.61 0.00 -2.65 -1.08 0.00 0.00 178.44 175.40 1si9 n PRO 95 N -4.57 0.06 0.06 1.13 -0.02 -1.26 -1.53 135.00 128.87 1si9 n PRO 95 Ca 0.07 0.28 0.13 0.00 -2.02 0.00 0.00 63.50 61.96 1si9 n PRO 95 Cb 0.02 -1.50 0.42 0.00 -0.02 0.00 0.00 33.50 32.41 1si9 n PRO 95 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1si9 n THR 96 N -1.41 0.33 -3.25 3.45 -2.24 -0.66 -4.91 114.28 105.59 1si9 n THR 96 Ca 0.03 -0.18 -0.39 0.00 -2.27 0.00 0.00 64.05 61.25 1si9 n THR 96 Cb 0.09 -0.41 -0.06 0.00 -2.10 0.00 0.00 70.33 67.85 1si9 n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1si9 s LEU 97 N -3.90 4.40 -0.09 3.22 1.43 -0.58 -0.74 118.68 122.41 1si9 s LEU 97 Ca 0.11 1.09 0.19 0.00 -1.03 0.00 0.00 54.13 54.49 1si9 s LEU 97 Cb 0.15 -2.85 -0.26 0.00 0.03 0.00 0.00 46.19 43.26 1si9 s LEU 97 CO 0.61 0.11 0.35 -1.54 0.23 0.00 0.00 176.35 176.11 1si9 n SER 98 N 2.76 0.17 -4.08 2.29 3.41 0.00 -4.70 113.62 113.47 1si9 n SER 98 Ca -0.08 0.08 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 1si9 n SER 98 Cb 0.51 1.16 -0.13 0.00 -0.26 0.00 0.00 64.21 65.49 1si9 n SER 98 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1si9 s GLN 99 N -2.91 0.69 -0.20 4.33 -0.21 -1.01 -4.94 119.66 115.41 1si9 s GLN 99 Ca -0.08 -0.67 -0.09 0.00 0.02 0.00 0.00 55.36 54.54 1si9 s GLN 99 Cb 0.09 -0.61 0.07 0.00 1.00 0.00 0.00 33.01 33.57 1si9 s GLN 99 CO 0.85 0.14 0.46 0.50 -2.12 0.00 0.00 175.29 175.12 1si9 s ARG 100 N -1.15 0.42 -0.05 2.91 3.52 -1.26 -2.50 118.95 120.85 1si9 s ARG 100 Ca -0.03 0.94 -0.02 0.00 -0.13 0.00 0.00 55.73 56.50 1si9 s ARG 100 Cb -0.08 0.13 0.03 0.00 -1.56 0.00 0.00 34.95 33.47 1si9 s ARG 100 CO 0.01 -0.19 0.04 -1.17 -0.81 0.00 0.00 175.30 173.18 1si9 s LEU 101 N 1.83 0.38 -0.07 -0.88 2.96 -0.64 -5.00 118.68 117.28 1si9 s LEU 101 Ca -0.07 0.02 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 1si9 s LEU 101 Cb -0.09 -0.24 -0.02 0.00 0.50 0.00 0.00 46.19 46.34 1si9 s LEU 101 CO -0.14 -0.22 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.79 1si9 s VAL 102 N 1.99 2.55 -0.05 1.68 1.01 -1.26 -0.60 120.40 125.72 1si9 s VAL 102 Ca 0.04 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 1si9 s VAL 102 Cb -0.12 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.30 1si9 s VAL 102 CO -0.04 0.57 0.13 -0.51 0.00 0.00 0.00 175.10 175.25 1si9 s ILE 103 N -0.24 -0.02 -0.02 2.22 2.07 -0.69 -5.03 121.20 119.49 1si9 s ILE 103 Ca -0.00 0.08 0.05 0.00 -1.41 0.00 0.00 60.65 59.37 1si9 s ILE 103 Cb -0.13 -0.20 -0.03 0.00 0.13 0.00 0.00 42.46 42.23 1si9 s ILE 103 CO 0.03 0.03 -0.17 -1.81 -1.91 0.00 0.00 174.94 171.11 1si9 s ASP 104 N 0.56 3.79 -0.05 4.50 1.01 -1.26 -1.65 116.67 123.57 1si9 s ASP 104 Ca -0.04 -0.31 -0.31 0.00 0.71 0.00 0.00 52.55 52.60 1si9 s ASP 104 Cb -0.06 -0.69 0.07 0.00 1.01 0.00 0.00 42.92 43.26 1si9 s ASP 104 CO -0.03 0.31 0.70 -0.72 0.21 0.00 0.00 175.17 175.65 1si9 s TYR 105 N -0.77 -0.64 0.49 4.23 -0.85 -0.61 -4.98 117.35 114.22 1si9 s TYR 105 Ca 0.12 1.07 -0.23 0.00 -0.52 0.00 0.00 57.07 57.52 1si9 s TYR 105 Cb -0.10 0.42 -0.06 0.00 0.38 0.00 0.00 41.96 42.59 1si9 s TYR 105 CO 0.02 -0.60 1.26 -0.06 -1.52 0.00 0.00 175.55 174.65 1si9 s PHE 106 N -1.26 2.63 -1.12 -3.49 0.40 -1.26 -0.37 117.98 113.51 1si9 s PHE 106 Ca -0.10 1.45 -0.14 0.00 -0.60 0.00 0.00 56.93 57.54 1si9 s PHE 106 Cb -0.00 -3.59 0.18 0.00 0.51 0.00 0.00 43.02 40.12 1si9 s PHE 106 CO 0.09 -2.15 1.31 -0.51 0.70 0.00 0.00 175.22 174.66 1si9 s LEU 107 N -3.17 5.25 0.00 -0.37 1.43 -0.49 -4.86 118.68 116.47 1si9 s LEU 107 Ca 0.66 -2.85 0.26 0.00 -1.03 0.00 0.00 54.13 51.18 1si9 s LEU 107 Cb -0.34 -2.37 1.58 0.00 0.03 0.00 0.00 46.19 45.08 1si9 s LEU 107 CO 0.42 -0.76 1.93 -1.22 0.23 0.00 0.00 176.35 176.95