#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r28 s GLN 8 N 0.00 2.18 -0.18 -1.46 0.74 -1.26 -5.09 119.66 114.59 1r28 s GLN 8 Ca 0.00 -1.42 -0.06 0.00 0.05 0.00 0.00 55.36 53.93 1r28 s GLN 8 Cb 0.00 -3.02 -0.03 0.00 1.10 0.00 0.00 33.01 31.05 1r28 s GLN 8 CO 0.00 -0.65 0.03 0.42 -0.55 0.00 0.00 175.29 174.54 1r28 s ILE 9 N 1.11 4.42 -0.23 -2.34 1.09 -1.26 -5.09 121.20 118.91 1r28 s ILE 9 Ca -0.05 -0.16 -0.09 0.00 -1.10 0.00 0.00 60.65 59.25 1r28 s ILE 9 Cb -0.20 -2.99 -0.04 0.00 -1.06 0.00 0.00 42.46 38.17 1r28 s ILE 9 CO -0.04 0.46 0.11 -1.10 -0.10 0.00 0.00 174.94 174.26 1r28 s GLN 10 N 0.52 3.88 -0.52 2.79 -1.52 -1.26 -5.07 119.66 118.48 1r28 s GLN 10 Ca 0.01 -0.37 -0.18 0.00 -1.95 0.00 0.00 55.36 52.87 1r28 s GLN 10 Cb -0.13 -3.40 0.08 0.00 -0.22 0.00 0.00 33.01 29.34 1r28 s GLN 10 CO 0.02 -0.01 0.59 -0.06 -0.25 0.00 0.00 175.29 175.58 1r28 s PHE 11 N 1.18 3.09 0.46 0.91 0.40 -1.26 -4.93 117.98 117.82 1r28 s PHE 11 Ca 0.06 -0.76 0.18 0.00 -0.60 0.00 0.00 56.93 55.80 1r28 s PHE 11 Cb -0.14 -3.59 1.15 0.00 0.51 0.00 0.00 43.02 40.94 1r28 s PHE 11 CO 0.04 -1.05 2.03 1.79 0.70 0.00 0.00 175.22 178.74 1r28 h THR 12 N 5.86 0.99 0.00 0.64 1.35 -2.06 -2.62 112.91 117.07 1r28 h THR 12 Ca -0.28 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1r28 h THR 12 Cb 1.10 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1r28 h THR 12 CO 0.98 0.15 -0.75 0.54 -0.25 0.00 0.00 175.52 176.19 1r28 n ARG 13 N -4.19 0.12 -0.07 4.72 3.00 -1.26 -4.57 116.66 114.42 1r28 n ARG 13 Ca -0.02 0.01 -0.08 0.00 -0.01 0.00 0.00 57.85 57.74 1r28 n ARG 13 Cb 0.22 -1.55 -0.02 0.00 0.00 0.00 0.00 32.46 31.12 1r28 n ARG 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1r28 h HIS 14 N 0.00 -0.75 -0.54 -1.55 2.76 -1.88 -1.62 115.15 111.57 1r28 h HIS 14 Ca 0.00 0.05 0.07 0.00 -2.20 0.00 0.00 60.37 58.28 1r28 h HIS 14 Cb 0.60 0.37 -0.06 0.00 1.55 0.00 0.00 27.41 29.88 1r28 h HIS 14 CO 0.00 -0.35 0.23 0.00 -1.30 0.00 0.00 177.93 176.51 1r28 h ALA 15 N 0.77 0.69 -0.13 5.26 0.00 -1.80 -1.01 119.26 123.03 1r28 h ALA 15 Ca 0.15 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1r28 h ALA 15 Cb 0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1r28 h ALA 15 CO -0.44 -0.15 -0.34 0.66 0.00 0.00 0.00 179.25 178.98 1r28 h SER 16 N 0.44 0.26 -0.46 0.00 4.64 -1.76 -1.50 113.55 115.18 1r28 h SER 16 Ca 0.26 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.42 1r28 h SER 16 Cb 0.24 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1r28 h SER 16 CO -0.23 0.59 0.07 0.44 -0.87 0.00 0.00 176.83 176.83 1r28 h ASP 17 N 0.22 0.73 -0.31 4.97 3.32 -0.69 0.13 116.42 124.80 1r28 h ASP 17 Ca 0.03 -0.27 0.02 0.00 0.02 0.00 0.00 57.03 56.84 1r28 h ASP 17 Cb 0.71 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 1r28 h ASP 17 CO 0.05 0.81 0.14 0.58 -1.72 0.00 0.00 179.24 179.11 1r28 h VAL 18 N 0.62 0.97 -0.50 -1.35 2.07 -0.88 0.15 116.25 117.33 1r28 h VAL 18 Ca 0.14 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 1r28 h VAL 18 Cb 0.40 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1r28 h VAL 18 CO 0.01 0.05 0.17 0.25 0.02 0.00 0.00 177.57 178.08 1r28 h LEU 19 N 0.30 0.71 -0.20 2.57 5.85 -1.05 0.74 115.31 124.22 1r28 h LEU 19 Ca 0.13 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1r28 h LEU 19 Cb 0.06 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 1r28 h LEU 19 CO -0.10 0.71 -0.11 0.25 -0.34 0.00 0.00 178.44 178.85 1r28 h LEU 20 N 0.67 -0.35 -1.17 2.25 5.85 -0.26 -0.72 115.31 121.57 1r28 h LEU 20 Ca 0.16 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1r28 h LEU 20 Cb 0.24 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1r28 h LEU 20 CO -0.01 -0.14 0.18 0.78 -0.34 0.00 0.00 178.44 178.91 1r28 h ASN 21 N -0.09 0.70 -0.32 1.25 2.35 -0.31 -1.81 115.58 117.35 1r28 h ASN 21 Ca 0.11 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1r28 h ASN 21 Cb 0.26 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1r28 h ASN 21 CO -0.26 0.65 0.01 -0.07 -1.65 0.00 0.00 177.43 176.11 1r28 h LEU 22 N 0.75 0.62 -0.55 1.61 3.38 -0.06 -0.67 115.31 120.38 1r28 h LEU 22 Ca 0.18 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1r28 h LEU 22 Cb 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1r28 h LEU 22 CO -0.01 0.68 -0.64 -1.13 0.09 0.00 0.00 178.44 177.43 1r28 h ASN 23 N 0.62 0.38 -0.34 -0.43 -0.00 -0.54 -1.86 115.58 113.41 1r28 h ASN 23 Ca 0.13 -0.23 -0.11 0.00 -0.00 0.00 0.00 56.30 56.09 1r28 h ASN 23 Cb 0.37 -0.11 -0.02 0.00 -0.00 0.00 0.00 38.32 38.57 1r28 h ASN 23 CO 0.01 0.92 -0.19 0.03 -0.00 0.00 0.00 177.43 178.20 1r28 h ARG 24 N 0.24 0.82 -0.88 6.67 3.08 -0.88 0.49 114.38 123.92 1r28 h ARG 24 Ca -0.01 -0.32 0.01 0.00 0.07 0.00 0.00 59.98 59.73 1r28 h ARG 24 Cb 1.17 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.13 1r28 h ARG 24 CO 0.10 0.94 0.58 -0.07 -1.07 0.00 0.00 179.97 180.46 1r28 h LEU 25 N 0.72 1.00 -0.13 3.04 3.38 -0.71 -1.49 115.31 121.12 1r28 h LEU 25 Ca 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1r28 h LEU 25 Cb 0.71 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1r28 h LEU 25 CO 0.05 0.72 -0.00 -0.09 0.09 0.00 0.00 178.44 179.21 1r28 h ARG 26 N 1.18 0.22 -0.88 1.13 2.43 -0.70 0.47 114.38 118.24 1r28 h ARG 26 Ca 0.32 -0.07 0.16 0.00 -0.81 0.00 0.00 59.98 59.59 1r28 h ARG 26 Cb -0.12 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.31 1r28 h ARG 26 CO -0.07 0.47 0.45 0.77 -1.51 0.00 0.00 179.97 180.07 1r28 h SER 27 N -0.05 0.53 -0.40 -3.80 0.02 -0.38 0.14 113.55 109.62 1r28 h SER 27 Ca 0.04 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1r28 h SER 27 Cb 0.37 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1r28 h SER 27 CO 0.01 0.19 0.00 0.54 -1.14 0.00 0.00 176.83 176.43 1r28 n ARG 28 N -4.89 2.12 -2.91 3.45 1.74 -0.61 -4.93 116.66 110.63 1r28 n ARG 28 Ca 0.19 -1.72 -0.20 0.00 -0.77 0.00 0.00 57.85 55.34 1r28 n ARG 28 Cb 0.49 -1.41 0.01 0.00 -1.02 0.00 0.00 32.46 30.52 1r28 n ARG 28 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1r28 n ASP 29 N 0.91 -4.97 -4.68 0.55 4.64 0.49 -4.94 116.55 108.55 1r28 n ASP 29 Ca 0.17 -0.18 -0.40 0.00 -1.38 0.00 0.00 54.79 53.00 1r28 n ASP 29 Cb 0.43 -4.09 -0.05 0.00 -1.04 0.00 0.00 41.12 36.37 1r28 n ASP 29 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1r28 s ILE 30 N -2.98 4.99 -1.04 5.18 1.01 0.15 -4.02 121.20 124.48 1r28 s ILE 30 Ca 0.22 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.25 1r28 s ILE 30 Cb -0.11 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.34 1r28 s ILE 30 CO 0.28 0.12 0.00 0.18 0.00 0.00 0.00 174.94 175.51 1r28 n LEU 31 N 4.82 -0.34 -4.76 2.97 4.77 -1.26 -4.60 117.00 118.60 1r28 n LEU 31 Ca 0.00 0.24 -0.41 0.00 -0.03 0.00 0.00 56.01 55.82 1r28 n LEU 31 Cb 0.50 -2.36 -0.02 0.00 -2.33 0.00 0.00 43.42 39.21 1r28 n LEU 31 CO 0.46 -0.89 1.05 0.42 -1.33 0.00 0.00 177.39 177.10 1r28 s THR 32 N -1.99 2.58 -0.09 -5.08 -4.23 -1.26 -4.83 115.64 100.74 1r28 s THR 32 Ca 0.00 0.55 0.13 0.00 -1.18 0.00 0.00 61.69 61.18 1r28 s THR 32 Cb 0.00 -3.35 0.23 0.00 1.34 0.00 0.00 72.50 70.72 1r28 s THR 32 CO 0.00 0.12 1.11 -0.90 -0.54 0.00 0.00 174.62 174.41 1r28 n ASP 33 N 1.23 1.41 -3.59 3.99 3.85 -0.45 -4.96 116.55 118.04 1r28 n ASP 33 Ca 0.02 -2.76 -0.11 0.00 -0.71 0.00 0.00 54.79 51.23 1r28 n ASP 33 Cb 0.41 -0.36 -0.06 0.00 -1.35 0.00 0.00 41.12 39.76 1r28 n ASP 33 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1r28 s VAL 34 N -1.77 0.00 -0.19 2.12 0.11 -1.14 -4.66 120.40 114.86 1r28 s VAL 34 Ca 0.23 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.29 1r28 s VAL 34 Cb 0.22 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 34.09 1r28 s VAL 34 CO -0.01 0.00 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.89 1r28 s VAL 35 N -0.75 2.21 -0.22 2.04 1.01 0.89 -1.79 120.40 123.79 1r28 s VAL 35 Ca -0.02 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 60.81 1r28 s VAL 35 Cb -0.02 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1r28 s VAL 35 CO 0.01 0.48 0.58 -0.63 0.00 0.00 0.00 175.10 175.54 1r28 s ILE 36 N 1.29 5.04 -0.16 2.22 -1.09 0.10 -1.59 121.20 127.02 1r28 s ILE 36 Ca 0.04 1.07 -0.03 0.00 -2.23 0.00 0.00 60.65 59.50 1r28 s ILE 36 Cb -0.14 -3.90 -0.02 0.00 -1.58 0.00 0.00 42.46 36.82 1r28 s ILE 36 CO -0.11 0.11 -0.05 -0.69 -1.23 0.00 0.00 174.94 172.96 1r28 s VAL 37 N 2.03 3.71 -0.12 2.92 1.01 -0.34 -0.48 120.40 129.14 1r28 s VAL 37 Ca 0.26 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 1r28 s VAL 37 Cb -0.16 -2.62 0.04 0.00 0.00 0.00 0.00 36.38 33.64 1r28 s VAL 37 CO 0.09 0.49 0.02 -0.69 0.00 0.00 0.00 175.10 175.01 1r28 s VAL 38 N 0.45 0.42 -1.51 2.92 1.01 -0.14 -1.36 120.40 122.18 1r28 s VAL 38 Ca -0.05 -0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.65 1r28 s VAL 38 Cb -0.15 -0.73 0.08 0.00 0.00 0.00 0.00 36.38 35.59 1r28 s VAL 38 CO 0.03 0.06 0.88 -1.20 0.00 0.00 0.00 175.10 174.87 1r28 n SER 39 N 5.12 -4.69 0.00 3.32 7.64 -1.26 -0.56 113.62 123.18 1r28 n SER 39 Ca -0.08 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 59.10 1r28 n SER 39 Cb 0.49 -3.77 0.00 0.00 -1.01 0.00 0.00 64.21 59.92 1r28 n SER 39 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1r28 n ARG 40 N -4.49 0.00 -2.52 1.43 1.74 -1.26 -4.98 116.66 106.58 1r28 n ARG 40 Ca 0.03 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.69 1r28 n ARG 40 Cb 0.53 -2.37 -0.03 0.00 -1.02 0.00 0.00 32.46 29.57 1r28 n ARG 40 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1r28 s GLU 41 N -0.03 4.50 -0.14 5.56 2.56 0.28 -5.02 118.70 126.42 1r28 s GLU 41 Ca 0.00 1.66 -0.11 0.00 0.00 0.00 0.00 54.97 56.53 1r28 s GLU 41 Cb 0.00 -3.36 -0.05 0.00 2.00 0.00 0.00 34.13 32.72 1r28 s GLU 41 CO 0.00 -0.13 0.21 -0.65 -0.56 0.00 0.00 175.26 174.13 1r28 s GLN 42 N 0.75 3.95 -0.18 4.30 -0.21 -1.26 -0.96 119.66 126.05 1r28 s GLN 42 Ca 0.55 -0.04 -0.00 0.00 0.02 0.00 0.00 55.36 55.89 1r28 s GLN 42 Cb -0.27 -3.33 0.04 0.00 1.00 0.00 0.00 33.01 30.45 1r28 s GLN 42 CO 0.30 0.47 -0.05 -0.06 -2.12 0.00 0.00 175.29 173.83 1r28 s PHE 43 N -0.18 1.76 0.09 0.91 0.40 0.37 -4.97 117.98 116.36 1r28 s PHE 43 Ca 0.14 -1.16 -0.24 0.00 -0.60 0.00 0.00 56.93 55.07 1r28 s PHE 43 Cb -0.12 -1.34 -0.06 0.00 0.51 0.00 0.00 43.02 42.00 1r28 s PHE 43 CO 0.03 -0.64 0.74 1.03 0.70 0.00 0.00 175.22 177.08 1r28 s ARG 44 N 1.61 4.48 0.28 0.44 0.52 -1.26 0.03 118.95 125.05 1r28 s ARG 44 Ca -0.00 1.04 -0.08 0.00 -0.52 0.00 0.00 55.73 56.17 1r28 s ARG 44 Cb -0.16 -3.31 0.03 0.00 0.52 0.00 0.00 34.95 32.03 1r28 s ARG 44 CO -0.08 0.43 0.51 0.00 0.02 0.00 0.00 175.30 176.19 1r28 n ALA 45 N 2.24 -0.97 -3.31 2.13 0.00 -0.74 -4.97 120.51 114.90 1r28 n ALA 45 Ca -0.05 -1.02 -0.35 0.00 0.00 0.00 0.00 53.44 52.02 1r28 n ALA 45 Cb 0.50 0.82 -0.13 0.00 0.00 0.00 0.00 19.45 20.63 1r28 n ALA 45 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1r28 s HIS 46 N -3.82 2.99 0.31 0.00 3.76 -1.26 -1.33 115.29 115.94 1r28 s HIS 46 Ca 0.15 -0.72 0.08 0.00 -0.15 0.00 0.00 55.06 54.42 1r28 s HIS 46 Cb -0.03 -2.10 0.84 0.00 1.11 0.00 0.00 32.58 32.40 1r28 s HIS 46 CO 0.11 -0.42 1.73 0.87 -0.85 0.00 0.00 174.74 176.19 1r28 h LYS 47 N 7.87 0.57 -0.51 1.40 1.57 -1.92 -2.11 116.57 123.45 1r28 h LYS 47 Ca -0.39 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.31 1r28 h LYS 47 Cb 1.17 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1r28 h LYS 47 CO 0.60 0.38 0.09 1.79 -0.57 0.00 0.00 179.45 181.74 1r28 h THR 48 N 0.59 1.22 -0.25 -0.16 1.35 -1.98 0.24 112.91 113.93 1r28 h THR 48 Ca 0.62 -0.84 -0.08 0.00 -0.55 0.00 0.00 66.41 65.56 1r28 h THR 48 Cb 1.15 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 1r28 h THR 48 CO -0.47 0.31 -0.16 0.58 -0.25 0.00 0.00 175.52 175.53 1r28 h VAL 49 N 0.75 1.31 -0.77 6.82 2.07 -1.82 -0.91 116.25 123.71 1r28 h VAL 49 Ca 0.16 -1.27 0.07 0.00 0.82 0.00 0.00 66.70 66.48 1r28 h VAL 49 Cb 0.32 1.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 1r28 h VAL 49 CO 0.00 0.40 0.45 -0.07 0.02 0.00 0.00 177.57 178.37 1r28 h LEU 50 N 0.26 0.68 -0.60 2.57 3.38 -1.06 -1.62 115.31 118.91 1r28 h LEU 50 Ca 0.05 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 1r28 h LEU 50 Cb 0.68 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1r28 h LEU 50 CO 0.04 0.43 -0.29 0.24 0.09 0.00 0.00 178.44 178.95 1r28 h MET 51 N 0.81 0.79 0.00 1.13 2.86 -0.88 -1.65 114.93 117.99 1r28 h MET 51 Ca 0.34 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1r28 h MET 51 Cb 0.21 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1r28 h MET 51 CO -0.19 0.98 0.00 0.00 1.06 0.00 0.00 176.91 178.76 1r28 h ALA 52 N 1.00 1.00 0.00 6.32 0.00 -0.21 -3.28 119.26 124.09 1r28 h ALA 52 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1r28 h ALA 52 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1r28 h ALA 52 CO 0.07 0.00 -0.99 0.00 0.00 0.00 0.00 179.25 178.33 1r28 s SER 54 N -2.24 1.17 0.33 0.00 0.15 -0.63 -4.79 113.70 107.68 1r28 s SER 54 Ca -0.01 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.47 1r28 s SER 54 Cb 0.03 -0.48 0.55 0.00 -1.71 0.00 0.00 66.02 64.40 1r28 s SER 54 CO 0.16 0.00 1.96 1.23 1.20 0.00 0.00 173.24 177.80 1r28 h GLY 55 N 6.88 0.94 0.76 9.45 0.00 -1.15 -0.61 103.07 119.34 1r28 h GLY 55 Ca -0.35 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 1r28 h GLY 55 CO 0.48 0.38 -0.19 -2.00 0.00 0.00 0.00 176.54 175.21 1r28 h LEU 56 N 0.90 -0.44 -1.86 3.11 5.85 -1.66 -1.92 115.31 119.29 1r28 h LEU 56 Ca 0.23 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1r28 h LEU 56 Cb -0.02 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1r28 h LEU 56 CO -0.04 -0.13 0.11 -0.26 -0.34 0.00 0.00 178.44 177.78 1r28 h PHE 57 N -0.77 0.18 -0.56 1.25 0.05 -1.77 0.22 116.94 115.52 1r28 h PHE 57 Ca -0.05 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.72 1r28 h PHE 57 Cb 0.52 -0.06 -0.03 0.00 2.00 0.00 0.00 35.95 38.39 1r28 h PHE 57 CO 0.01 0.11 0.26 -0.92 -0.18 0.00 0.00 178.31 177.59 1r28 h TYR 58 N 0.19 0.82 -0.28 -0.55 3.20 -0.90 -1.07 116.97 118.39 1r28 h TYR 58 Ca 0.06 -0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.74 1r28 h TYR 58 Cb 0.01 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.03 1r28 h TYR 58 CO -0.00 0.64 -0.38 0.77 -1.64 0.00 0.00 178.16 177.55 1r28 h SER 59 N 0.76 0.82 0.34 -2.11 0.02 -0.37 -2.27 113.55 110.75 1r28 h SER 59 Ca 0.19 -0.50 -0.02 0.00 -0.84 0.00 0.00 61.79 60.62 1r28 h SER 59 Cb 0.14 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1r28 h SER 59 CO -0.02 1.16 -0.17 0.40 -1.14 0.00 0.00 176.83 177.07 1r28 h ILE 60 N 0.51 0.66 0.00 3.27 2.04 -0.40 -2.63 117.51 120.96 1r28 h ILE 60 Ca 0.03 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1r28 h ILE 60 Cb 0.97 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1r28 h ILE 60 CO 0.09 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.73 1r28 n PHE 61 N -5.28 0.95 0.19 1.37 0.99 -0.42 -2.76 117.46 112.49 1r28 n PHE 61 Ca -0.10 0.29 0.12 0.00 -0.00 0.00 0.00 57.45 57.76 1r28 n PHE 61 Cb 0.21 -0.98 0.08 0.00 -1.00 0.00 0.00 39.48 37.79 1r28 n PHE 61 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1r28 h THR 62 N 0.00 0.00 -3.04 4.37 2.02 -1.38 -3.38 112.91 111.50 1r28 h THR 62 Ca 0.00 -0.95 -0.57 0.00 0.77 0.00 0.00 66.41 65.66 1r28 h THR 62 Cb 0.67 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.67 1r28 h THR 62 CO 0.00 0.00 1.10 -0.62 0.37 0.00 0.00 175.52 176.37 1r28 s ASP 63 N -5.54 6.34 0.29 4.18 -1.08 -0.99 -4.90 116.67 114.97 1r28 s ASP 63 Ca 0.03 1.16 0.04 0.00 -0.52 0.00 0.00 52.55 53.25 1r28 s ASP 63 Cb 0.08 -2.54 0.71 0.00 -1.46 0.00 0.00 42.92 39.72 1r28 s ASP 63 CO 0.74 -1.37 1.71 1.56 0.52 0.00 0.00 175.17 178.34 1r28 h GLN 64 N 10.76 0.44 -0.55 4.34 1.08 -1.86 0.13 115.11 129.45 1r28 h GLN 64 Ca -0.30 -0.03 0.10 0.00 -1.45 0.00 0.00 58.65 56.98 1r28 h GLN 64 Cb 1.12 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 28.42 1r28 h GLN 64 CO 1.05 0.29 0.37 1.25 -0.95 0.00 0.00 178.83 180.84 1r28 h LEU 65 N 0.46 0.30 0.00 1.46 5.85 -1.92 -3.03 115.31 118.42 1r28 h LEU 65 Ca 0.55 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.28 1r28 h LEU 65 Cb 1.01 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1r28 h LEU 65 CO -0.50 0.18 -0.90 0.29 -0.34 0.00 0.00 178.44 177.17 1r28 n LYS 66 N -4.46 2.19 -0.38 1.25 5.02 -0.30 -4.65 118.16 116.83 1r28 n LYS 66 Ca 0.09 -0.04 0.30 0.00 -2.02 0.00 0.00 58.31 56.64 1r28 n LYS 66 Cb 0.38 -1.12 0.59 0.00 -0.02 0.00 0.00 35.03 34.86 1r28 n LYS 66 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1r28 h ARG 67 N 0.00 0.22 -0.66 1.97 2.43 -0.69 -0.32 114.38 117.33 1r28 h ARG 67 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1r28 h ARG 67 Cb 0.37 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1r28 h ARG 67 CO 0.00 0.15 0.00 0.09 -1.51 0.00 0.00 179.97 178.70 1r28 n ASN 68 N -4.63 3.82 -4.77 -3.80 3.02 -1.26 -4.95 115.26 102.68 1r28 n ASN 68 Ca 0.31 -2.00 -0.40 0.00 -0.03 0.00 0.00 54.58 52.47 1r28 n ASN 68 Cb 1.16 -0.44 -0.02 0.00 -0.61 0.00 0.00 39.78 39.88 1r28 n ASN 68 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r28 s LEU 69 N -1.07 4.29 0.00 3.41 1.43 -0.13 -4.90 118.68 121.71 1r28 s LEU 69 Ca 0.46 2.55 0.22 0.00 -1.03 0.00 0.00 54.13 56.33 1r28 s LEU 69 Cb 0.24 -3.84 -0.07 0.00 0.03 0.00 0.00 46.19 42.55 1r28 s LEU 69 CO 0.32 -0.67 1.01 -1.54 0.23 0.00 0.00 176.35 175.70 1r28 n SER 70 N 0.38 0.87 -4.01 2.29 3.41 -1.26 -4.86 113.62 110.43 1r28 n SER 70 Ca 0.02 -0.80 -0.20 0.00 -0.26 0.00 0.00 58.87 57.63 1r28 n SER 70 Cb 0.44 0.85 -0.15 0.00 -0.26 0.00 0.00 64.21 65.09 1r28 n SER 70 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1r28 s VAL 71 N -3.01 0.79 -0.13 -3.33 1.01 -1.26 -0.07 120.40 114.39 1r28 s VAL 71 Ca 0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1r28 s VAL 71 Cb 0.16 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.88 1r28 s VAL 71 CO 0.83 0.24 -0.04 -0.63 0.00 0.00 0.00 175.10 175.51 1r28 s ILE 72 N 0.13 0.85 -0.12 2.22 -1.09 -0.62 -4.93 121.20 117.65 1r28 s ILE 72 Ca -0.02 -0.33 -0.19 0.00 -2.23 0.00 0.00 60.65 57.88 1r28 s ILE 72 Cb -0.08 -1.00 -0.04 0.00 -1.58 0.00 0.00 42.46 39.76 1r28 s ILE 72 CO 0.00 0.21 0.50 0.20 -1.23 0.00 0.00 174.94 174.62 1r28 s ASN 73 N 1.76 6.70 0.66 3.58 0.01 -1.26 -1.20 114.94 125.20 1r28 s ASN 73 Ca 0.03 0.84 -0.06 0.00 -0.71 0.00 0.00 52.86 52.96 1r28 s ASN 73 Cb -0.14 -2.30 0.04 0.00 0.41 0.00 0.00 41.25 39.27 1r28 s ASN 73 CO -0.07 -0.02 0.97 -0.76 -1.51 0.00 0.00 177.10 175.72 1r28 s LEU 74 N 0.68 2.96 0.47 0.60 1.43 -0.46 -4.95 118.68 119.41 1r28 s LEU 74 Ca 0.27 0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 53.67 1r28 s LEU 74 Cb -0.15 -3.26 -0.07 0.00 0.03 0.00 0.00 46.19 42.74 1r28 s LEU 74 CO 0.11 -1.41 1.27 -1.81 0.23 0.00 0.00 176.35 174.74 1r28 s ASP 75 N -4.44 5.90 0.58 2.29 1.01 -1.26 -4.86 116.67 115.88 1r28 s ASP 75 Ca 0.58 2.57 0.32 0.00 0.71 0.00 0.00 52.55 56.73 1r28 s ASP 75 Cb -0.11 -2.62 1.39 0.00 1.01 0.00 0.00 42.92 42.59 1r28 s ASP 75 CO 0.45 -1.13 1.72 1.55 0.21 0.00 0.00 175.17 177.97 1r28 h PRO 76 N 2.03 0.00 0.00 8.23 0.13 -1.98 0.74 132.00 141.14 1r28 h PRO 76 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1r28 h PRO 76 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1r28 h PRO 76 CO 0.60 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.52 1r28 n GLU 77 N -3.77 0.14 -3.11 0.86 0.28 -1.26 -4.73 120.64 109.05 1r28 n GLU 77 Ca 0.19 0.07 -0.40 0.00 -0.16 0.00 0.00 57.16 56.86 1r28 n GLU 77 Cb 1.12 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 32.43 1r28 n GLU 77 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1r28 s ILE 78 N -2.83 5.03 0.12 3.84 -1.09 0.25 -5.05 121.20 121.47 1r28 s ILE 78 Ca 0.17 1.23 -0.05 0.00 -2.23 0.00 0.00 60.65 59.77 1r28 s ILE 78 Cb 0.16 -3.96 -0.05 0.00 -1.58 0.00 0.00 42.46 37.03 1r28 s ILE 78 CO 0.42 0.15 0.36 0.54 -1.23 0.00 0.00 174.94 175.19 1r28 s ASN 79 N 1.07 6.50 0.11 3.58 4.22 -1.26 -4.43 114.94 124.73 1r28 s ASN 79 Ca 0.30 0.59 -0.30 0.00 -2.14 0.00 0.00 52.86 51.31 1r28 s ASN 79 Cb -0.16 -2.09 -0.11 0.00 1.28 0.00 0.00 41.25 40.17 1r28 s ASN 79 CO 0.12 0.08 1.50 -0.65 -2.04 0.00 0.00 177.10 176.11 1r28 h PRO 80 N 3.01 -0.41 -0.64 3.55 0.11 -1.96 -2.71 132.00 132.96 1r28 h PRO 80 Ca -0.46 0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.69 1r28 h PRO 80 Cb 1.17 0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 1r28 h PRO 80 CO 0.72 -0.27 0.41 1.05 -0.21 0.00 0.00 178.00 179.70 1r28 h GLU 81 N -0.42 0.81 -0.29 1.05 4.11 -1.96 -0.21 114.58 117.67 1r28 h GLU 81 Ca 0.05 -0.05 0.04 0.00 0.07 0.00 0.00 59.36 59.48 1r28 h GLU 81 Cb 0.57 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1r28 h GLU 81 CO -0.49 0.53 0.05 0.78 0.07 0.00 0.00 179.01 179.95 1r28 h GLY 82 N 0.83 0.32 1.02 1.06 0.00 -1.85 -0.75 103.07 103.71 1r28 h GLY 82 Ca 0.24 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 1r28 h GLY 82 CO -0.07 -0.02 0.38 -2.75 0.00 0.00 0.00 176.54 174.09 1r28 h PHE 83 N 0.16 1.08 -0.73 5.60 3.57 -1.13 -2.76 116.94 122.72 1r28 h PHE 83 Ca 0.13 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1r28 h PHE 83 Cb 0.14 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 1r28 h PHE 83 CO -0.17 0.78 0.47 -0.97 -2.23 0.00 0.00 178.31 176.19 1r28 h ASN 84 N 1.06 0.79 -0.76 0.41 -1.24 -0.26 0.21 115.58 115.79 1r28 h ASN 84 Ca 0.26 -0.01 0.05 0.00 0.71 0.00 0.00 56.30 57.31 1r28 h ASN 84 Cb 0.09 -0.18 -0.05 0.00 0.73 0.00 0.00 38.32 38.91 1r28 h ASN 84 CO -0.04 0.55 0.47 0.40 -1.29 0.00 0.00 177.43 177.52 1r28 h ILE 85 N 0.93 1.05 -0.17 2.57 1.08 -0.93 -1.23 117.51 120.81 1r28 h ILE 85 Ca 0.29 -0.30 -0.20 0.00 -0.39 0.00 0.00 64.86 64.26 1r28 h ILE 85 Cb -0.03 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 33.83 1r28 h ILE 85 CO -0.09 0.16 -0.68 -0.07 -0.69 0.00 0.00 178.15 176.78 1r28 h LEU 86 N 0.88 0.79 -0.29 1.44 3.38 -1.03 -1.53 115.31 118.94 1r28 h LEU 86 Ca 0.32 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1r28 h LEU 86 Cb 0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1r28 h LEU 86 CO -0.15 1.25 0.16 0.25 0.09 0.00 0.00 178.44 180.04 1r28 h LEU 87 N 0.49 0.36 -0.87 1.67 5.85 -0.35 -0.26 115.31 122.20 1r28 h LEU 87 Ca -0.02 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1r28 h LEU 87 Cb 1.28 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 1r28 h LEU 87 CO 0.13 0.34 0.55 0.44 -0.34 0.00 0.00 178.44 179.57 1r28 h ASP 88 N 0.35 1.03 -1.00 1.25 3.32 -1.16 -1.29 116.42 118.91 1r28 h ASP 88 Ca 0.10 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.12 1r28 h ASP 88 Cb 0.06 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 1r28 h ASP 88 CO -0.02 0.77 0.66 0.15 -1.72 0.00 0.00 179.24 179.09 1r28 h PHE 89 N 1.19 1.25 -0.18 4.55 3.57 -0.78 0.29 116.94 126.84 1r28 h PHE 89 Ca 0.32 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.86 1r28 h PHE 89 Cb -0.09 -0.42 -0.02 0.00 2.79 0.00 0.00 35.95 38.21 1r28 h PHE 89 CO -0.01 0.77 0.05 0.52 -2.23 0.00 0.00 178.31 177.42 1r28 h MET 90 N 1.33 0.13 0.00 1.11 2.86 0.09 0.34 114.93 120.79 1r28 h MET 90 Ca 0.38 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 1r28 h MET 90 Cb -0.11 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.52 1r28 h MET 90 CO -0.09 0.09 -0.13 0.66 1.06 0.00 0.00 176.91 178.49 1r28 n TYR 91 N -5.06 0.45 0.00 -0.22 4.02 -0.87 -4.42 117.16 111.06 1r28 n TYR 91 Ca -0.03 0.13 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 1r28 n TYR 91 Cb 0.07 -0.68 0.00 0.00 -0.02 0.00 0.00 39.34 38.72 1r28 n TYR 91 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1r28 n THR 92 N -1.89 0.00 -0.95 -0.72 -2.24 0.06 -4.57 114.28 103.96 1r28 n THR 92 Ca 0.06 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1r28 n THR 92 Cb 0.39 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 1r28 n THR 92 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1r28 n SER 93 N -0.56 -0.29 -4.64 3.42 7.64 0.12 -4.99 113.62 114.31 1r28 n SER 93 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 1r28 n SER 93 Cb 0.00 -0.31 -0.10 0.00 -1.01 0.00 0.00 64.21 62.79 1r28 n SER 93 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1r28 s ARG 94 N -0.12 4.04 -0.53 1.43 3.00 -1.26 -5.02 118.95 120.50 1r28 s ARG 94 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 55.73 55.44 1r28 s ARG 94 Cb 0.00 -3.55 0.14 0.00 0.00 0.00 0.00 34.95 31.54 1r28 s ARG 94 CO 0.00 0.02 0.31 -1.17 0.00 0.00 0.00 175.30 174.46 1r28 s LEU 95 N 1.18 5.01 -1.03 2.53 2.96 -1.26 -3.26 118.68 124.82 1r28 s LEU 95 Ca 0.07 -2.63 -0.23 0.00 -0.22 0.00 0.00 54.13 51.12 1r28 s LEU 95 Cb -0.14 -1.78 0.00 0.00 0.50 0.00 0.00 46.19 44.77 1r28 s LEU 95 CO 0.06 -0.38 1.72 0.21 -1.32 0.00 0.00 176.35 176.63 1r28 s ASN 96 N 0.78 5.87 0.09 3.68 2.47 -1.26 -4.96 114.94 121.61 1r28 s ASN 96 Ca 0.14 -1.30 -0.21 0.00 0.42 0.00 0.00 52.86 51.91 1r28 s ASN 96 Cb -0.22 -2.57 -0.07 0.00 -1.45 0.00 0.00 41.25 36.94 1r28 s ASN 96 CO -0.03 -2.10 0.64 -0.76 -3.72 0.00 0.00 177.10 171.12 1r28 s LEU 97 N 7.45 4.54 0.11 3.21 1.43 -1.26 -5.01 118.68 129.14 1r28 s LEU 97 Ca 0.58 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 1r28 s LEU 97 Cb -0.02 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 1r28 s LEU 97 CO -0.02 0.23 -0.01 -0.13 0.23 0.00 0.00 176.35 176.66 1r28 s ARG 98 N -1.01 0.86 0.31 1.70 0.52 -1.26 -5.02 118.95 115.04 1r28 s ARG 98 Ca 0.31 -1.38 0.03 0.00 -0.52 0.00 0.00 55.73 54.18 1r28 s ARG 98 Cb -0.20 0.01 0.50 0.00 0.52 0.00 0.00 34.95 35.78 1r28 s ARG 98 CO 0.21 -0.13 1.82 1.49 0.02 0.00 0.00 175.30 178.71 1r28 h GLU 99 N 2.93 0.57 0.00 3.54 4.57 -1.97 -0.58 114.58 123.63 1r28 h GLU 99 Ca -0.35 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1r28 h GLU 99 Cb 1.18 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1r28 h GLU 99 CO 0.63 0.63 0.00 0.78 -1.18 0.00 0.00 179.01 179.88 1r28 h GLY 100 N 0.91 0.00 0.00 1.92 0.00 -2.01 -3.32 103.07 100.56 1r28 h GLY 100 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1r28 h GLY 100 CO 0.02 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.72 1r28 n ASN 101 N -2.58 0.28 -0.27 0.19 0.23 -1.10 -4.85 115.26 107.15 1r28 n ASN 101 Ca 0.03 -0.61 0.00 0.00 -0.53 0.00 0.00 54.58 53.47 1r28 n ASN 101 Cb 0.33 0.45 0.07 0.00 -2.08 0.00 0.00 39.78 38.55 1r28 n ASN 101 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1r28 h ILE 102 N 0.10 0.18 -0.52 1.53 -0.00 -1.21 -0.37 117.51 117.23 1r28 h ILE 102 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1r28 h ILE 102 Cb 0.05 0.18 -0.02 0.00 -0.00 0.00 0.00 36.82 37.02 1r28 h ILE 102 CO 0.00 0.00 0.31 0.24 -0.00 0.00 0.00 178.15 178.70 1r28 h MET 103 N -0.04 0.70 -0.63 2.19 0.00 -1.86 -1.75 114.93 113.54 1r28 h MET 103 Ca 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 59.70 59.98 1r28 h MET 103 Cb 0.58 -0.15 -0.03 0.00 0.00 0.00 0.00 31.60 32.00 1r28 h MET 103 CO -0.80 0.51 0.41 0.00 0.00 0.00 0.00 176.91 177.03 1r28 h ALA 104 N 1.15 0.80 -0.64 6.32 0.00 -1.52 -1.65 119.26 123.72 1r28 h ALA 104 Ca 0.18 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1r28 h ALA 104 Cb -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1r28 h ALA 104 CO -0.03 0.24 0.08 0.28 0.00 0.00 0.00 179.25 179.82 1r28 h VAL 105 N 0.86 1.26 -0.24 0.00 2.07 -0.84 -1.48 116.25 117.88 1r28 h VAL 105 Ca 0.23 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1r28 h VAL 105 Cb -0.08 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1r28 h VAL 105 CO -0.05 0.39 0.06 -0.03 0.02 0.00 0.00 177.57 177.96 1r28 h MET 106 N 0.99 0.39 -0.53 1.57 -1.53 -1.02 0.14 114.93 114.94 1r28 h MET 106 Ca 0.19 -0.10 -0.07 0.00 -3.44 0.00 0.00 59.70 56.29 1r28 h MET 106 Cb 0.46 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.44 1r28 h MET 106 CO 0.02 0.50 0.05 0.00 0.14 0.00 0.00 176.91 177.62 1r28 h ALA 107 N 0.87 1.09 -0.41 0.39 0.00 -1.23 0.27 119.26 120.24 1r28 h ALA 107 Ca 0.08 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 1r28 h ALA 107 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1r28 h ALA 107 CO 0.00 0.59 -0.31 1.15 0.00 0.00 0.00 179.25 180.68 1r28 h THR 108 N 0.82 1.27 -0.56 0.00 2.02 -1.08 -0.51 112.91 114.87 1r28 h THR 108 Ca 0.16 -1.47 -0.05 0.00 0.77 0.00 0.00 66.41 65.82 1r28 h THR 108 Cb 0.41 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1r28 h THR 108 CO 0.01 0.50 0.14 0.00 0.37 0.00 0.00 175.52 176.54 1r28 h ALA 109 N 0.87 0.74 0.10 6.16 0.00 -0.35 0.13 119.26 126.91 1r28 h ALA 109 Ca 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1r28 h ALA 109 Cb 0.88 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1r28 h ALA 109 CO 0.08 0.44 -0.05 0.52 0.00 0.00 0.00 179.25 180.24 1r28 h MET 110 N 0.80 -0.13 -0.60 0.00 2.86 -0.72 0.34 114.93 117.48 1r28 h MET 110 Ca 0.18 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.87 1r28 h MET 110 Cb 0.33 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 1r28 h MET 110 CO 0.00 -0.06 0.34 -0.92 1.06 0.00 0.00 176.91 177.33 1r28 h TYR 111 N -0.17 0.62 0.00 -0.22 3.20 -0.88 -0.91 116.97 118.60 1r28 h TYR 111 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1r28 h TYR 111 Cb 0.13 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1r28 h TYR 111 CO -0.06 0.32 0.00 1.28 -1.64 0.00 0.00 178.16 178.05 1r28 n LEU 112 N -4.80 0.00 -3.03 2.82 4.77 0.44 -4.71 117.00 112.49 1r28 n LEU 112 Ca 0.06 0.40 -0.14 0.00 -0.03 0.00 0.00 56.01 56.31 1r28 n LEU 112 Cb 0.14 -0.40 0.07 0.00 -2.33 0.00 0.00 43.42 40.89 1r28 n LEU 112 CO 0.30 -0.15 0.06 0.00 -1.33 0.00 0.00 177.39 176.27 1r28 n GLN 113 N -1.40 -3.56 -3.73 3.23 6.02 -0.06 -2.03 117.38 115.86 1r28 n GLN 113 Ca 0.07 0.73 -0.28 0.00 -0.01 0.00 0.00 57.00 57.51 1r28 n GLN 113 Cb 0.18 -5.27 -0.10 0.00 1.02 0.00 0.00 30.24 26.07 1r28 n GLN 113 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1r28 n MET 114 N -3.28 2.11 -0.22 -1.09 2.81 -0.21 -2.49 117.12 114.75 1r28 n MET 114 Ca -0.14 -4.56 0.01 0.00 -1.81 0.00 0.00 57.70 51.19 1r28 n MET 114 Cb 0.62 -2.28 0.12 0.00 -0.71 0.00 0.00 33.22 30.97 1r28 n MET 114 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1r28 h GLU 115 N 4.97 0.45 -0.91 0.03 4.57 -1.94 -0.93 114.58 120.83 1r28 h GLU 115 Ca 0.17 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.38 1r28 h GLU 115 Cb 0.72 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.15 1r28 h GLU 115 CO 0.77 0.30 0.57 0.45 -1.18 0.00 0.00 179.01 179.92 1r28 h HIS 116 N 0.47 1.07 -0.34 0.92 3.86 -1.98 -0.01 115.15 119.14 1r28 h HIS 116 Ca 0.33 0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.40 1r28 h HIS 116 Cb 0.39 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 1r28 h HIS 116 CO -0.15 0.56 -0.43 0.28 0.86 0.00 0.00 177.93 179.05 1r28 h VAL 117 N 1.06 1.28 -0.82 2.45 2.07 -1.84 -2.42 116.25 118.03 1r28 h VAL 117 Ca 0.39 -1.61 0.08 0.00 0.82 0.00 0.00 66.70 66.38 1r28 h VAL 117 Cb 0.14 1.50 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 1r28 h VAL 117 CO -0.16 0.53 0.48 0.58 0.02 0.00 0.00 177.57 179.02 1r28 h VAL 118 N 0.69 0.95 -0.59 2.57 2.07 -0.11 -0.70 116.25 121.14 1r28 h VAL 118 Ca 0.04 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1r28 h VAL 118 Cb 1.03 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1r28 h VAL 118 CO 0.10 0.15 0.16 0.44 0.02 0.00 0.00 177.57 178.45 1r28 h ASP 119 N 0.83 0.87 -0.98 0.57 3.32 -0.85 -1.85 116.42 118.34 1r28 h ASP 119 Ca 0.38 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1r28 h ASP 119 Cb 0.29 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 1r28 h ASP 119 CO -0.22 0.86 0.62 0.74 -1.72 0.00 0.00 179.24 179.52 1r28 h THR 120 N 0.84 1.26 -0.48 0.35 2.02 -0.77 0.32 112.91 116.45 1r28 h THR 120 Ca 0.19 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 1r28 h THR 120 Cb 0.32 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 1r28 h THR 120 CO -0.00 0.26 0.20 0.00 0.37 0.00 0.00 175.52 176.34 1r28 h ARG 122 N 0.63 0.29 -0.74 0.00 3.08 -0.60 -0.06 114.38 116.99 1r28 h ARG 122 Ca 0.16 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.20 1r28 h ARG 122 Cb 0.19 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 1r28 h ARG 122 CO -0.01 0.19 0.49 0.87 -1.07 0.00 0.00 179.97 180.44 1r28 h LYS 123 N 0.30 0.96 -0.38 0.04 1.57 -0.61 0.78 116.57 119.23 1r28 h LYS 123 Ca 0.14 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1r28 h LYS 123 Cb 0.08 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1r28 h LYS 123 CO -0.12 0.64 0.24 0.35 -0.57 0.00 0.00 179.45 179.99 1r28 h PHE 124 N 0.99 0.45 -0.24 -1.35 3.57 -0.39 -1.75 116.94 118.22 1r28 h PHE 124 Ca 0.27 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 1r28 h PHE 124 Cb -0.10 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 1r28 h PHE 124 CO -0.02 0.27 0.04 0.82 -2.23 0.00 0.00 178.31 177.18 1r28 h ILE 125 N 0.48 1.23 0.00 1.41 2.04 -0.54 -2.78 117.51 119.36 1r28 h ILE 125 Ca 0.15 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1r28 h ILE 125 Cb -0.02 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1r28 h ILE 125 CO -0.05 0.24 0.00 0.11 0.00 0.00 0.00 178.15 178.45 1r28 h LYS 126 N 0.20 0.00 0.00 2.37 1.57 -0.69 -3.36 116.57 116.66 1r28 h LYS 126 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1r28 h LYS 126 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1r28 h LYS 126 CO 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.89 1r28 n ALA 127 N -1.88 0.00 -1.46 3.86 0.00 -0.67 -5.07 120.51 115.29 1r28 n ALA 127 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1r28 n ALA 127 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1r28 n ALA 127 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93