#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 2.82 -0.05 -1.46 0.00 -1.26 -5.10 119.66 114.61 1r28 s GLN 8 Ca 0.00 -0.99 -0.05 0.00 -0.00 0.00 0.00 55.36 54.32 1r28 s GLN 8 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 33.01 29.94 1r28 s GLN 8 CO 0.00 -0.42 0.17 -1.50 0.00 0.00 0.00 175.29 173.54 1r28 s ILE 9 N 1.33 5.45 -0.00 3.63 1.10 -1.26 -5.10 121.20 126.35 1r28 s ILE 9 Ca -0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 60.65 60.11 1r28 s ILE 9 Cb -0.17 -3.49 -0.04 0.00 0.15 0.00 0.00 42.46 38.91 1r28 s ILE 9 CO -0.04 0.43 0.20 -1.58 -2.11 0.00 0.00 174.94 171.85 1r28 s GLN 10 N -1.60 3.46 -0.47 3.50 2.00 -1.26 -5.03 119.66 120.27 1r28 s GLN 10 Ca 0.23 -0.29 0.08 0.00 -2.00 0.00 0.00 55.36 53.38 1r28 s GLN 10 Cb -0.12 -3.09 0.30 0.00 0.80 0.00 0.00 33.01 30.90 1r28 s GLN 10 CO 0.13 0.66 0.72 1.19 -0.50 0.00 0.00 175.29 177.50 1r28 n PHE 11 N 0.92 1.48 0.27 1.67 3.72 -1.26 -4.95 117.46 119.30 1r28 n PHE 11 Ca -0.10 -3.85 0.05 0.00 -0.05 0.00 0.00 57.45 53.50 1r28 n PHE 11 Cb 0.52 -0.44 0.28 0.00 -0.94 0.00 0.00 39.48 38.91 1r28 n PHE 11 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1r28 h THR 12 N 2.09 0.00 0.00 4.37 1.35 -2.05 1.17 112.91 119.85 1r28 h THR 12 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1r28 h THR 12 Cb 0.79 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1r28 h THR 12 CO 0.62 0.00 -1.10 -2.11 -0.25 0.00 0.00 175.52 172.67 1r28 n ARG 13 N -2.36 0.23 0.30 4.72 1.85 -1.26 -4.58 116.66 115.56 1r28 n ARG 13 Ca -0.01 -0.03 -0.17 0.00 -1.00 0.00 0.00 57.85 56.65 1r28 n ARG 13 Cb 0.66 -1.48 -0.08 0.00 -1.05 0.00 0.00 32.46 30.50 1r28 n ARG 13 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1r28 h HIS 14 N 0.00 -0.67 -0.60 2.89 2.76 0.10 -0.78 115.15 118.85 1r28 h HIS 14 Ca 0.00 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.27 1r28 h HIS 14 Cb 0.55 0.22 -0.12 0.00 1.55 0.00 0.00 27.41 29.62 1r28 h HIS 14 CO 0.00 -0.41 -0.18 0.00 -1.30 0.00 0.00 177.93 176.04 1r28 h ALA 15 N -0.23 0.33 0.00 5.26 0.00 -1.81 0.22 119.26 123.04 1r28 h ALA 15 Ca -0.07 0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1r28 h ALA 15 Cb 0.55 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1r28 h ALA 15 CO 0.11 -0.46 -0.50 0.66 0.00 0.00 0.00 179.25 179.06 1r28 h SER 16 N -0.03 0.00 -0.21 0.00 4.64 -1.81 -2.12 113.55 114.03 1r28 h SER 16 Ca 0.28 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 1r28 h SER 16 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1r28 h SER 16 CO -0.63 0.50 0.04 0.44 -0.87 0.00 0.00 176.83 176.31 1r28 h ASP 17 N 0.00 0.32 -0.48 4.97 3.45 0.39 -1.61 116.42 123.46 1r28 h ASP 17 Ca -0.00 -0.25 0.05 0.00 0.43 0.00 0.00 57.03 57.26 1r28 h ASP 17 Cb 1.03 -0.09 -0.05 0.00 -0.56 0.00 0.00 39.33 39.67 1r28 h ASP 17 CO 0.06 0.49 0.20 0.58 -1.57 0.00 0.00 179.24 179.01 1r28 h VAL 18 N 0.14 0.89 -0.22 -1.35 2.07 -0.41 -1.86 116.25 115.52 1r28 h VAL 18 Ca 0.06 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1r28 h VAL 18 Cb 0.30 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1r28 h VAL 18 CO 0.00 0.07 0.11 0.25 0.02 0.00 0.00 177.57 178.03 1r28 h LEU 19 N 0.40 0.28 -0.90 2.57 5.85 -1.24 -1.08 115.31 121.19 1r28 h LEU 19 Ca 0.22 -0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.97 1r28 h LEU 19 Cb 0.19 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.06 1r28 h LEU 19 CO -0.19 0.30 0.51 0.25 -0.34 0.00 0.00 178.44 178.97 1r28 h LEU 20 N 0.23 0.69 -0.52 2.25 5.85 -0.93 0.91 115.31 123.78 1r28 h LEU 20 Ca 0.08 0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.70 1r28 h LEU 20 Cb 0.09 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1r28 h LEU 20 CO -0.01 0.33 -0.71 0.78 -0.34 0.00 0.00 178.44 178.49 1r28 h ASN 21 N 0.77 0.23 -0.48 1.25 2.35 -0.98 -0.81 115.58 117.91 1r28 h ASN 21 Ca 0.47 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 56.02 1r28 h ASN 21 Cb 0.57 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1r28 h ASN 21 CO -0.31 0.86 0.11 -0.07 -1.65 0.00 0.00 177.43 176.37 1r28 h LEU 22 N 0.13 0.74 -1.00 1.61 3.38 0.02 -1.51 115.31 118.68 1r28 h LEU 22 Ca -0.02 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1r28 h LEU 22 Cb 1.26 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1r28 h LEU 22 CO 0.11 0.78 0.20 -1.13 0.09 0.00 0.00 178.44 178.49 1r28 h ASN 23 N 0.66 0.86 -0.91 -0.43 -0.00 -0.64 -1.61 115.58 113.51 1r28 h ASN 23 Ca 0.15 -0.14 0.00 0.00 -0.00 0.00 0.00 56.30 56.31 1r28 h ASN 23 Cb 0.34 -0.22 -0.04 0.00 -0.00 0.00 0.00 38.32 38.39 1r28 h ASN 23 CO 0.00 0.80 0.57 -0.09 -0.00 0.00 0.00 177.43 178.72 1r28 h ARG 24 N 0.90 1.22 -0.38 6.67 9.65 -0.68 -0.77 114.38 130.98 1r28 h ARG 24 Ca 0.20 -0.09 -0.07 0.00 -1.10 0.00 0.00 59.98 58.92 1r28 h ARG 24 Cb 0.25 -0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 1r28 h ARG 24 CO -0.01 0.83 -0.04 -0.07 2.80 0.00 0.00 179.97 183.48 1r28 h LEU 25 N 1.25 0.60 0.41 3.80 3.38 -0.39 -2.07 115.31 122.29 1r28 h LEU 25 Ca 0.33 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1r28 h LEU 25 Cb -0.09 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1r28 h LEU 25 CO -0.07 0.70 -0.20 -0.09 0.09 0.00 0.00 178.44 178.88 1r28 h ARG 26 N 0.59 -0.53 -0.82 1.13 2.43 -0.57 0.11 114.38 116.73 1r28 h ARG 26 Ca 0.12 0.04 0.20 0.00 -0.81 0.00 0.00 59.98 59.52 1r28 h ARG 26 Cb 0.44 0.12 -0.14 0.00 -0.42 0.00 0.00 29.97 29.97 1r28 h ARG 26 CO 0.02 -0.30 0.08 0.77 -1.51 0.00 0.00 179.97 179.03 1r28 h SER 27 N -0.64 -0.25 -0.23 -3.80 0.02 -0.84 0.12 113.55 107.94 1r28 h SER 27 Ca -0.06 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1r28 h SER 27 Cb 0.47 0.33 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1r28 h SER 27 CO 0.09 -0.18 0.00 0.54 -1.14 0.00 0.00 176.83 176.14 1r28 n ARG 28 N -5.32 1.85 -3.81 3.45 1.74 -0.81 -4.95 116.66 108.81 1r28 n ARG 28 Ca 0.17 -1.29 -0.28 0.00 -0.77 0.00 0.00 57.85 55.68 1r28 n ARG 28 Cb 0.56 -1.40 0.04 0.00 -1.02 0.00 0.00 32.46 30.65 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 0.52 -4.68 -4.60 0.55 4.64 0.42 -4.96 116.55 108.44 1r28 n ASP 29 Ca 0.16 -0.73 -0.40 0.00 -1.38 0.00 0.00 54.79 52.44 1r28 n ASP 29 Cb 0.36 -4.18 -0.08 0.00 -1.04 0.00 0.00 41.12 36.19 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 -3.35 5.08 -1.72 5.18 1.01 0.23 -4.33 121.20 123.30 1r28 s ILE 30 Ca 0.56 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.89 1r28 s ILE 30 Cb -0.27 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1r28 s ILE 30 CO 0.81 0.03 0.00 0.18 0.00 0.00 0.00 174.94 175.95 1r28 n LEU 31 N 5.54 -1.13 -4.75 2.97 4.77 -1.26 -4.72 117.00 118.42 1r28 n LEU 31 Ca -0.05 0.40 -0.41 0.00 -0.03 0.00 0.00 56.01 55.92 1r28 n LEU 31 Cb 0.50 -2.44 -0.02 0.00 -2.33 0.00 0.00 43.42 39.13 1r28 n LEU 31 CO 0.41 -0.90 1.05 0.42 -1.33 0.00 0.00 177.39 177.04 1r28 s THR 32 N -2.55 2.75 -0.02 -5.08 -4.23 -1.26 -4.84 115.64 100.42 1r28 s THR 32 Ca 0.00 0.67 0.03 0.00 -1.18 0.00 0.00 61.69 61.21 1r28 s THR 32 Cb 0.00 -3.42 0.05 0.00 1.34 0.00 0.00 72.50 70.46 1r28 s THR 32 CO 0.00 0.12 0.94 -0.90 -0.54 0.00 0.00 174.62 174.24 1r28 n ASP 33 N 1.91 1.65 -3.61 3.99 3.85 -0.17 -4.93 116.55 119.25 1r28 n ASP 33 Ca 0.05 -2.01 -0.15 0.00 -0.71 0.00 0.00 54.79 51.96 1r28 n ASP 33 Cb 0.41 -0.08 -0.06 0.00 -1.35 0.00 0.00 41.12 40.04 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 -1.10 0.03 -0.16 2.12 0.11 -1.06 -4.72 120.40 115.62 1r28 s VAL 34 Ca 0.05 -0.23 0.01 0.00 -2.93 0.00 0.00 61.98 58.88 1r28 s VAL 34 Cb 0.05 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 34.01 1r28 s VAL 34 CO 0.00 -0.13 -0.18 -0.69 -3.33 0.00 0.00 175.10 170.78 1r28 s VAL 35 N -1.73 2.31 -0.22 2.04 1.01 0.46 -1.42 120.40 122.85 1r28 s VAL 35 Ca -0.09 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 60.89 1r28 s VAL 35 Cb -0.02 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1r28 s VAL 35 CO 0.04 0.53 0.23 -0.63 0.00 0.00 0.00 175.10 175.27 1r28 s ILE 36 N 1.00 5.32 -0.27 2.22 -1.09 0.43 -0.92 121.20 127.89 1r28 s ILE 36 Ca -0.02 0.35 -0.07 0.00 -2.23 0.00 0.00 60.65 58.68 1r28 s ILE 36 Cb -0.15 -3.57 -0.01 0.00 -1.58 0.00 0.00 42.46 37.16 1r28 s ILE 36 CO -0.05 0.33 0.06 -0.69 -1.23 0.00 0.00 174.94 173.36 1r28 s VAL 37 N 1.03 4.04 -0.23 2.92 1.01 0.17 -1.61 120.40 127.73 1r28 s VAL 37 Ca 0.11 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1r28 s VAL 37 Cb -0.14 -2.98 0.04 0.00 0.00 0.00 0.00 36.38 33.31 1r28 s VAL 37 CO 0.05 0.23 -0.12 -0.69 0.00 0.00 0.00 175.10 174.57 1r28 s VAL 38 N 1.55 2.39 0.00 2.92 1.01 -0.86 -1.46 120.40 125.94 1r28 s VAL 38 Ca 0.05 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1r28 s VAL 38 Cb -0.16 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1r28 s VAL 38 CO 0.02 0.22 0.00 -0.24 0.00 0.00 0.00 175.10 175.10 1r28 n SER 39 N 4.57 0.00 0.00 3.32 2.88 -1.26 -1.05 113.62 122.08 1r28 n SER 39 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1r28 n SER 39 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1r28 n SER 39 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1r28 n ARG 40 N 0.00 3.40 -1.86 -1.46 1.74 -1.26 -5.08 116.66 112.14 1r28 n ARG 40 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 1r28 n ARG 40 Cb 0.00 -0.32 0.05 0.00 -1.02 0.00 0.00 32.46 31.17 1r28 n ARG 40 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1r28 s GLU 41 N -0.11 2.76 -0.11 5.56 2.02 -0.21 -5.02 118.70 123.58 1r28 s GLU 41 Ca 0.00 1.98 0.02 0.00 0.02 0.00 0.00 54.97 56.99 1r28 s GLU 41 Cb 0.00 -1.90 -0.01 0.00 0.10 0.00 0.00 34.13 32.32 1r28 s GLU 41 CO 0.00 -1.41 -0.18 -0.65 0.02 0.00 0.00 175.26 173.04 1r28 s GLN 42 N -3.33 3.18 -0.19 1.61 -0.21 -1.26 -2.03 119.66 117.43 1r28 s GLN 42 Ca 0.80 -0.77 0.00 0.00 0.02 0.00 0.00 55.36 55.41 1r28 s GLN 42 Cb -0.35 -2.48 0.04 0.00 1.00 0.00 0.00 33.01 31.23 1r28 s GLN 42 CO 0.37 0.23 -0.08 -0.06 -2.12 0.00 0.00 175.29 173.64 1r28 s PHE 43 N 0.27 2.11 0.08 0.91 0.40 -0.63 -4.97 117.98 116.15 1r28 s PHE 43 Ca -0.12 -1.40 -0.26 0.00 -0.60 0.00 0.00 56.93 54.54 1r28 s PHE 43 Cb -0.16 -1.50 -0.06 0.00 0.51 0.00 0.00 43.02 41.81 1r28 s PHE 43 CO 0.07 -0.70 0.82 1.03 0.70 0.00 0.00 175.22 177.14 1r28 s ARG 44 N 1.50 4.57 0.30 0.44 0.52 -1.26 -0.42 118.95 124.59 1r28 s ARG 44 Ca -0.01 1.19 -0.09 0.00 -0.52 0.00 0.00 55.73 56.30 1r28 s ARG 44 Cb -0.16 -3.35 0.04 0.00 0.52 0.00 0.00 34.95 32.00 1r28 s ARG 44 CO -0.08 0.31 0.56 0.00 0.02 0.00 0.00 175.30 176.12 1r28 n ALA 45 N 2.59 -1.14 -3.04 2.13 0.00 -0.51 -4.98 120.51 115.56 1r28 n ALA 45 Ca -0.02 -1.04 -0.35 0.00 0.00 0.00 0.00 53.44 52.03 1r28 n ALA 45 Cb 0.50 0.83 -0.12 0.00 0.00 0.00 0.00 19.45 20.66 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 -3.65 3.06 0.25 0.00 3.76 -1.26 -0.99 115.29 116.46 1r28 s HIS 46 Ca 0.14 -0.37 -0.04 0.00 -0.15 0.00 0.00 55.06 54.64 1r28 s HIS 46 Cb -0.03 -2.07 0.37 0.00 1.11 0.00 0.00 32.58 31.95 1r28 s HIS 46 CO 0.11 -0.17 1.87 0.87 -0.85 0.00 0.00 174.74 176.56 1r28 h LYS 47 N 7.33 1.04 -0.77 1.40 1.57 -1.92 -1.90 116.57 123.32 1r28 h LYS 47 Ca -0.35 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.34 1r28 h LYS 47 Cb 1.18 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 33.22 1r28 h LYS 47 CO 0.62 0.69 0.39 1.79 -0.57 0.00 0.00 179.45 182.37 1r28 h THR 48 N 1.07 1.24 -0.21 -0.16 1.35 -1.99 0.08 112.91 114.29 1r28 h THR 48 Ca 0.40 -0.63 -0.05 0.00 -0.55 0.00 0.00 66.41 65.58 1r28 h THR 48 Cb 0.17 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 66.81 1r28 h THR 48 CO -0.17 0.28 -0.06 0.58 -0.25 0.00 0.00 175.52 175.89 1r28 h VAL 49 N 1.09 1.29 -0.48 6.82 2.07 -1.84 -1.51 116.25 123.68 1r28 h VAL 49 Ca 0.27 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.73 1r28 h VAL 49 Cb 0.08 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1r28 h VAL 49 CO -0.04 0.32 0.31 -0.07 0.02 0.00 0.00 177.57 178.12 1r28 h LEU 50 N 0.13 0.52 -0.85 2.57 3.38 -1.04 -2.36 115.31 117.67 1r28 h LEU 50 Ca 0.05 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1r28 h LEU 50 Cb 0.52 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1r28 h LEU 50 CO 0.02 0.38 0.42 0.24 0.09 0.00 0.00 178.44 179.59 1r28 h MET 51 N 0.63 1.21 0.00 1.13 2.86 -0.94 0.67 114.93 120.49 1r28 h MET 51 Ca 0.18 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1r28 h MET 51 Cb -0.05 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.39 1r28 h MET 51 CO -0.05 0.92 0.00 0.00 1.06 0.00 0.00 176.91 178.84 1r28 n ALA 52 N -2.41 1.67 -0.04 6.32 0.00 -0.58 -3.59 120.51 121.88 1r28 n ALA 52 Ca 0.08 0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.54 1r28 n ALA 52 Cb 0.13 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 18.16 1r28 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r28 s SER 54 N -3.97 0.93 0.34 0.00 0.15 0.18 -4.81 113.70 106.52 1r28 s SER 54 Ca -0.04 -0.13 0.02 0.00 0.70 0.00 0.00 55.95 56.49 1r28 s SER 54 Cb 0.03 -0.35 0.61 0.00 -1.71 0.00 0.00 66.02 64.60 1r28 s SER 54 CO 0.36 -0.01 1.99 1.23 1.20 0.00 0.00 173.24 178.02 1r28 h GLY 55 N 6.79 0.89 0.93 9.45 0.00 -1.52 -0.90 103.07 118.71 1r28 h GLY 55 Ca -0.36 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 1r28 h GLY 55 CO 0.48 0.34 0.14 -2.00 0.00 0.00 0.00 176.54 175.50 1r28 h LEU 56 N 0.86 0.46 -0.92 3.11 5.85 -1.79 -2.19 115.31 120.68 1r28 h LEU 56 Ca 0.23 -0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 1r28 h LEU 56 Cb -0.06 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1r28 h LEU 56 CO -0.05 0.49 -0.39 -0.26 -0.34 0.00 0.00 178.44 177.90 1r28 h PHE 57 N 0.39 0.35 -0.45 1.25 0.05 -1.71 -0.89 116.94 115.92 1r28 h PHE 57 Ca 0.11 -0.09 0.04 0.00 3.82 0.00 0.00 57.97 61.85 1r28 h PHE 57 Cb 0.17 -0.08 -0.04 0.00 2.00 0.00 0.00 35.95 38.00 1r28 h PHE 57 CO -0.01 0.65 0.21 -0.92 -0.18 0.00 0.00 178.31 178.06 1r28 h TYR 58 N 0.26 0.38 0.38 -0.55 3.20 -0.91 0.27 116.97 120.00 1r28 h TYR 58 Ca 0.03 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1r28 h TYR 58 Cb 0.80 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.97 1r28 h TYR 58 CO 0.02 0.18 -0.18 1.03 -1.64 0.00 0.00 178.16 177.56 1r28 h SER 59 N 0.42 -0.44 -0.92 -2.11 0.87 -1.15 -3.07 113.55 107.15 1r28 h SER 59 Ca 0.20 -0.09 0.08 0.00 -1.23 0.00 0.00 61.79 60.76 1r28 h SER 59 Cb 0.14 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.14 1r28 h SER 59 CO -0.16 -0.17 0.57 0.40 -0.53 0.00 0.00 176.83 176.94 1r28 h ILE 60 N -0.70 1.00 -0.06 2.23 2.04 -0.95 -1.93 117.51 119.13 1r28 h ILE 60 Ca -0.05 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1r28 h ILE 60 Cb 0.50 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1r28 h ILE 60 CO 0.09 0.18 0.00 0.49 0.00 0.00 0.00 178.15 178.91 1r28 n PHE 61 N -4.62 0.08 -0.07 1.37 0.99 0.06 -2.67 117.46 112.60 1r28 n PHE 61 Ca 0.15 -0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.56 1r28 n PHE 61 Cb 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.72 1r28 n PHE 61 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1r28 n THR 62 N -0.39 0.20 -2.15 4.37 -2.24 -0.96 -4.75 114.28 108.37 1r28 n THR 62 Ca 0.13 -0.57 -0.43 0.00 -2.27 0.00 0.00 64.05 60.92 1r28 n THR 62 Cb 0.14 0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 1r28 n THR 62 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1r28 s ASP 63 N -0.20 6.73 0.39 3.42 -1.08 -0.76 -4.90 116.67 120.26 1r28 s ASP 63 Ca 0.00 2.00 0.19 0.00 -0.52 0.00 0.00 52.55 54.22 1r28 s ASP 63 Cb 0.00 -2.53 1.14 0.00 -1.46 0.00 0.00 42.92 40.06 1r28 s ASP 63 CO 0.00 -0.91 1.74 1.56 0.52 0.00 0.00 175.17 178.08 1r28 h GLN 64 N 9.23 0.34 0.01 4.34 7.50 -1.90 0.21 115.11 134.84 1r28 h GLN 64 Ca -0.35 -0.02 -0.00 0.00 0.50 0.00 0.00 58.65 58.78 1r28 h GLN 64 Cb 1.15 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 28.60 1r28 h GLN 64 CO 0.96 0.23 -0.00 1.25 -1.50 0.00 0.00 178.83 179.77 1r28 h LEU 65 N 0.35 -0.01 0.00 1.46 5.85 -1.94 -3.41 115.31 117.62 1r28 h LEU 65 Ca 0.65 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1r28 h LEU 65 Cb 1.67 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.70 1r28 h LEU 65 CO -0.35 0.85 -0.64 0.29 -0.34 0.00 0.00 178.44 178.25 1r28 n LYS 66 N -4.67 0.03 -0.13 1.25 5.02 -0.95 -4.58 118.16 114.13 1r28 n LYS 66 Ca -0.08 0.00 0.24 0.00 -2.02 0.00 0.00 58.31 56.45 1r28 n LYS 66 Cb 0.36 -1.51 0.67 0.00 -0.02 0.00 0.00 35.03 34.53 1r28 n LYS 66 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1r28 h ARG 67 N 0.00 0.08 -0.10 1.97 0.11 -0.66 -1.89 114.38 113.89 1r28 h ARG 67 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1r28 h ARG 67 Cb 0.52 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.58 1r28 h ARG 67 CO 0.00 0.05 0.00 0.09 0.10 0.00 0.00 179.97 180.21 1r28 n ASN 68 N -4.35 3.03 -4.77 0.08 3.02 -1.26 -4.94 115.26 106.07 1r28 n ASN 68 Ca 0.16 -1.98 -0.41 0.00 -0.03 0.00 0.00 54.58 52.32 1r28 n ASN 68 Cb 0.79 -0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.89 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 -1.90 4.44 0.07 3.41 1.43 -0.71 -4.91 118.68 120.50 1r28 s LEU 69 Ca 0.30 2.65 0.24 0.00 -1.03 0.00 0.00 54.13 56.30 1r28 s LEU 69 Cb 0.21 -3.65 0.39 0.00 0.03 0.00 0.00 46.19 43.17 1r28 s LEU 69 CO 0.30 -0.50 1.34 -1.54 0.23 0.00 0.00 176.35 176.19 1r28 n SER 70 N 0.84 0.60 -4.00 2.29 3.41 -1.26 -4.85 113.62 110.65 1r28 n SER 70 Ca -0.00 -0.04 -0.22 0.00 -0.26 0.00 0.00 58.87 58.35 1r28 n SER 70 Cb 0.42 0.24 -0.16 0.00 -0.26 0.00 0.00 64.21 64.45 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 -3.11 0.91 -0.11 -3.33 1.01 -1.26 -0.40 120.40 114.11 1r28 s VAL 71 Ca 0.08 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1r28 s VAL 71 Cb 0.15 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.70 1r28 s VAL 71 CO 0.72 0.30 -0.18 -0.63 0.00 0.00 0.00 175.10 175.30 1r28 s ILE 72 N 0.51 1.70 -0.28 2.22 -1.09 -0.10 -4.95 121.20 119.20 1r28 s ILE 72 Ca -0.09 -0.77 -0.10 0.00 -2.23 0.00 0.00 60.65 57.45 1r28 s ILE 72 Cb -0.13 -1.52 -0.03 0.00 -1.58 0.00 0.00 42.46 39.20 1r28 s ILE 72 CO 0.02 0.48 0.16 0.20 -1.23 0.00 0.00 174.94 174.57 1r28 s ASN 73 N 0.81 5.75 0.75 3.58 0.01 -1.26 0.43 114.94 125.01 1r28 s ASN 73 Ca -0.09 -0.18 -0.11 0.00 -0.71 0.00 0.00 52.86 51.77 1r28 s ASN 73 Cb -0.16 -2.06 0.04 0.00 0.41 0.00 0.00 41.25 39.49 1r28 s ASN 73 CO 0.00 -0.09 1.08 -0.76 -1.51 0.00 0.00 177.10 175.82 1r28 s LEU 74 N 1.70 2.94 0.59 0.60 1.43 -0.54 -4.96 118.68 120.44 1r28 s LEU 74 Ca 0.06 1.61 -0.20 0.00 -1.03 0.00 0.00 54.13 54.58 1r28 s LEU 74 Cb -0.16 -4.35 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 1r28 s LEU 74 CO 0.08 -1.80 1.25 0.47 0.23 0.00 0.00 176.35 176.58 1r28 n ASP 75 N -3.36 2.05 0.24 2.29 8.00 -1.26 -4.81 116.55 119.70 1r28 n ASP 75 Ca 0.08 0.89 0.17 0.00 0.71 0.00 0.00 54.79 56.64 1r28 n ASP 75 Cb 0.54 -1.53 0.87 0.00 -0.02 0.00 0.00 41.12 40.99 1r28 n ASP 75 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1r28 h PRO 76 N 0.90 0.00 0.00 -0.24 0.13 -1.97 -2.18 132.00 128.65 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 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1r28 h PRO 76 CO 0.54 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.46 1r28 n GLU 77 N -3.74 0.16 -2.56 0.86 0.00 -1.26 -4.77 120.64 109.33 1r28 n GLU 77 Ca 0.00 0.35 -0.41 0.00 0.00 0.00 0.00 57.16 57.11 1r28 n GLU 77 Cb 0.25 -1.78 -0.04 0.00 0.00 0.00 0.00 31.44 29.87 1r28 n GLU 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1r28 s ILE 78 N -3.22 3.92 -0.12 3.84 -1.09 -0.82 -5.04 121.20 118.67 1r28 s ILE 78 Ca 0.06 1.70 -0.07 0.00 -2.23 0.00 0.00 60.65 60.11 1r28 s ILE 78 Cb 0.10 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 1r28 s ILE 78 CO 0.39 0.31 0.12 0.54 -1.23 0.00 0.00 174.94 175.07 1r28 s ASN 79 N -0.26 6.23 0.11 3.58 4.22 -1.26 -4.45 114.94 123.11 1r28 s ASN 79 Ca 0.48 0.41 -0.27 0.00 -2.14 0.00 0.00 52.86 51.34 1r28 s ASN 79 Cb -0.29 -2.00 -0.09 0.00 1.28 0.00 0.00 41.25 40.15 1r28 s ASN 79 CO 0.35 0.39 1.45 -0.65 -2.04 0.00 0.00 177.10 176.60 1r28 h PRO 80 N 5.13 -0.32 -0.81 3.55 0.11 -1.97 -2.37 132.00 135.33 1r28 h PRO 80 Ca -0.53 0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.75 1r28 h PRO 80 Cb 1.22 0.07 -0.10 0.00 0.11 0.00 0.00 31.00 32.31 1r28 h PRO 80 CO 0.59 -0.21 0.36 1.49 -0.21 0.00 0.00 178.00 180.02 1r28 h GLU 81 N -0.33 0.49 -0.96 1.05 4.81 -1.96 0.32 114.58 118.01 1r28 h GLU 81 Ca 0.06 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1r28 h GLU 81 Cb 0.49 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 1r28 h GLU 81 CO -0.49 0.33 0.63 0.78 -0.73 0.00 0.00 179.01 179.52 1r28 h GLY 82 N 0.51 1.39 0.94 1.92 0.00 -1.76 -0.39 103.07 105.68 1r28 h GLY 82 Ca 0.45 -0.48 -0.14 0.00 0.00 0.00 0.00 47.33 47.15 1r28 h GLY 82 CO -0.40 0.43 -0.43 -2.75 0.00 0.00 0.00 176.54 173.39 1r28 h PHE 83 N 1.24 0.79 -0.74 5.60 3.57 -0.33 -2.61 116.94 124.46 1r28 h PHE 83 Ca 0.37 -0.30 0.10 0.00 3.53 0.00 0.00 57.97 61.68 1r28 h PHE 83 Cb -0.04 -0.14 -0.08 0.00 2.79 0.00 0.00 35.95 38.48 1r28 h PHE 83 CO -0.01 1.07 0.37 -0.97 -2.23 0.00 0.00 178.31 176.54 1r28 h ASN 84 N 0.29 0.47 -0.23 0.41 -0.73 -0.10 0.22 115.58 115.92 1r28 h ASN 84 Ca -0.00 0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.22 1r28 h ASN 84 Cb 1.04 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.61 1r28 h ASN 84 CO 0.09 0.26 0.10 0.40 -0.37 0.00 0.00 177.43 177.91 1r28 h ILE 85 N 0.61 1.15 -0.35 2.57 2.04 -1.01 -1.03 117.51 121.50 1r28 h ILE 85 Ca 0.37 -0.45 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 1r28 h ILE 85 Cb 0.42 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1r28 h ILE 85 CO -0.29 0.15 -0.13 -0.07 0.00 0.00 0.00 178.15 177.81 1r28 h LEU 86 N 0.22 0.59 -0.38 1.44 3.38 -1.00 -0.64 115.31 118.93 1r28 h LEU 86 Ca 0.08 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1r28 h LEU 86 Cb 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1r28 h LEU 86 CO -0.01 0.75 0.12 0.25 0.09 0.00 0.00 178.44 179.64 1r28 h LEU 87 N 0.55 0.55 -0.67 1.67 5.85 -0.34 0.41 115.31 123.34 1r28 h LEU 87 Ca 0.10 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1r28 h LEU 87 Cb 0.55 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1r28 h LEU 87 CO 0.03 0.61 0.36 0.44 -0.34 0.00 0.00 178.44 179.54 1r28 h ASP 88 N 0.46 0.84 -0.48 1.25 3.32 -0.96 -2.35 116.42 118.48 1r28 h ASP 88 Ca 0.12 -0.10 0.07 0.00 0.02 0.00 0.00 57.03 57.14 1r28 h ASP 88 Cb 0.26 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 1r28 h ASP 88 CO -0.00 0.70 0.16 0.15 -1.72 0.00 0.00 179.24 178.52 1r28 h PHE 89 N 0.91 0.28 -0.75 4.55 3.57 -0.53 -1.35 116.94 123.62 1r28 h PHE 89 Ca 0.23 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.89 1r28 h PHE 89 Cb 0.05 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 38.64 1r28 h PHE 89 CO -0.01 0.09 0.30 0.52 -2.23 0.00 0.00 178.31 176.98 1r28 h MET 90 N 0.33 0.44 -0.01 1.11 2.86 -0.40 0.90 114.93 120.16 1r28 h MET 90 Ca 0.23 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1r28 h MET 90 Cb 0.25 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1r28 h MET 90 CO -0.25 0.29 -0.24 0.66 1.06 0.00 0.00 176.91 178.43 1r28 n TYR 91 N -4.99 0.00 0.00 -0.22 4.02 -0.90 -4.49 117.16 110.58 1r28 n TYR 91 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1r28 n TYR 91 Cb 0.40 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 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 -0.80 0.00 -0.95 -0.72 -2.24 -0.56 -4.54 114.28 104.46 1r28 n THR 92 Ca 0.12 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1r28 n THR 92 Cb 0.33 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.39 -2.39 -4.34 3.42 7.64 0.26 -5.00 113.62 112.82 1r28 n SER 93 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1r28 n SER 93 Cb 0.00 -1.04 -0.14 0.00 -1.01 0.00 0.00 64.21 62.02 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 -0.42 3.35 -0.34 1.43 0.52 -1.26 -5.06 118.95 117.18 1r28 s ARG 94 Ca 0.00 -0.69 -0.05 0.00 -0.52 0.00 0.00 55.73 54.47 1r28 s ARG 94 Cb 0.00 -2.68 0.05 0.00 0.52 0.00 0.00 34.95 32.84 1r28 s ARG 94 CO 0.00 0.12 0.09 -1.17 0.02 0.00 0.00 175.30 174.36 1r28 s LEU 95 N 0.59 4.31 -0.52 2.53 2.96 -1.26 -3.56 118.68 123.73 1r28 s LEU 95 Ca -0.08 -1.26 -0.21 0.00 -0.22 0.00 0.00 54.13 52.37 1r28 s LEU 95 Cb -0.16 -1.83 0.05 0.00 0.50 0.00 0.00 46.19 44.76 1r28 s LEU 95 CO 0.03 -0.33 0.73 0.20 -1.32 0.00 0.00 176.35 175.66 1r28 s ASN 96 N 1.43 6.27 0.22 3.68 0.01 -1.26 -5.04 114.94 120.25 1r28 s ASN 96 Ca -0.02 -0.68 0.09 0.00 -0.71 0.00 0.00 52.86 51.54 1r28 s ASN 96 Cb -0.20 -2.34 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 1r28 s ASN 96 CO 0.01 -0.99 -0.02 -0.76 -1.51 0.00 0.00 177.10 173.83 1r28 s LEU 97 N 3.08 3.18 0.06 0.60 1.43 -1.26 -4.97 118.68 120.80 1r28 s LEU 97 Ca 0.21 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1r28 s LEU 97 Cb -0.17 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1r28 s LEU 97 CO 0.15 0.05 0.02 -0.13 0.23 0.00 0.00 176.35 176.67 1r28 s ARG 98 N -3.26 0.64 0.38 1.70 0.52 -1.26 -5.01 118.95 112.66 1r28 s ARG 98 Ca 0.29 -1.11 0.06 0.00 -0.52 0.00 0.00 55.73 54.45 1r28 s ARG 98 Cb -0.08 0.23 0.77 0.00 0.52 0.00 0.00 34.95 36.40 1r28 s ARG 98 CO 0.18 -0.14 2.02 0.93 0.02 0.00 0.00 175.30 178.31 1r28 h GLU 99 N 3.18 0.67 0.00 3.54 3.07 -2.01 -0.43 114.58 122.60 1r28 h GLU 99 Ca -0.34 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 1r28 h GLU 99 Cb 1.16 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 1r28 h GLU 99 CO 0.62 0.44 0.00 0.78 -1.40 0.00 0.00 179.01 179.45 1r28 h GLY 100 N 0.69 0.00 -0.02 -3.84 0.00 -2.04 -3.33 103.07 94.52 1r28 h GLY 100 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1r28 h GLY 100 CO -0.05 0.00 -0.02 1.16 0.00 0.00 0.00 176.54 177.62 1r28 n ASN 101 N -2.88 0.40 0.09 0.19 0.23 -0.88 -4.76 115.26 107.66 1r28 n ASN 101 Ca 0.03 -0.70 0.05 0.00 -0.53 0.00 0.00 54.58 53.43 1r28 n ASN 101 Cb 0.39 0.65 0.49 0.00 -2.08 0.00 0.00 39.78 39.23 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 0.06 1.07 -0.07 1.53 2.10 -1.20 0.25 117.51 121.25 1r28 h ILE 102 Ca 0.00 -0.16 -0.23 0.00 1.08 0.00 0.00 64.86 65.56 1r28 h ILE 102 Cb 0.02 0.71 0.01 0.00 -1.09 0.00 0.00 36.82 36.47 1r28 h ILE 102 CO 0.00 0.08 -0.86 0.24 -1.08 0.00 0.00 178.15 176.53 1r28 h MET 103 N 0.35 0.62 -0.34 2.19 2.86 -1.85 0.13 114.93 118.89 1r28 h MET 103 Ca 0.09 -0.57 -0.12 0.00 -2.06 0.00 0.00 59.70 57.05 1r28 h MET 103 Cb -0.02 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1r28 h MET 103 CO -0.02 1.18 -0.26 0.00 1.06 0.00 0.00 176.91 178.87 1r28 h ALA 104 N 0.64 0.90 -0.46 6.32 0.00 -1.71 -0.72 119.26 124.24 1r28 h ALA 104 Ca -0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1r28 h ALA 104 Cb 1.48 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1r28 h ALA 104 CO 0.16 0.62 0.11 0.28 0.00 0.00 0.00 179.25 180.43 1r28 h VAL 105 N 0.60 1.24 -0.33 0.00 2.07 -0.40 -0.40 116.25 119.02 1r28 h VAL 105 Ca 0.08 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1r28 h VAL 105 Cb 0.76 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1r28 h VAL 105 CO 0.06 0.29 0.17 -0.03 0.02 0.00 0.00 177.57 178.08 1r28 h MET 106 N 0.61 0.48 -0.18 1.57 -1.53 -0.59 -1.26 114.93 114.02 1r28 h MET 106 Ca 0.14 -0.07 0.02 0.00 -3.44 0.00 0.00 59.70 56.35 1r28 h MET 106 Cb 0.32 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.27 1r28 h MET 106 CO 0.00 0.43 0.07 0.00 0.14 0.00 0.00 176.91 177.55 1r28 h ALA 107 N 1.02 0.21 -0.95 0.39 0.00 -1.02 -1.82 119.26 117.10 1r28 h ALA 107 Ca 0.12 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1r28 h ALA 107 Cb 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1r28 h ALA 107 CO -0.02 -0.35 0.60 1.15 0.00 0.00 0.00 179.25 180.63 1r28 h THR 108 N 0.17 1.07 -0.35 0.00 2.02 -0.82 -1.06 112.91 113.95 1r28 h THR 108 Ca 0.08 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 1r28 h THR 108 Cb 0.04 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.30 1r28 h THR 108 CO -0.07 0.20 -0.02 0.00 0.37 0.00 0.00 175.52 176.00 1r28 h ALA 109 N 1.43 1.33 -0.22 6.16 0.00 -0.79 0.17 119.26 127.35 1r28 h ALA 109 Ca 0.41 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1r28 h ALA 109 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1r28 h ALA 109 CO -0.17 0.46 -0.13 0.52 0.00 0.00 0.00 179.25 179.92 1r28 h MET 110 N 0.52 0.47 -0.50 0.00 2.86 -0.43 0.20 114.93 118.05 1r28 h MET 110 Ca 0.11 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1r28 h MET 110 Cb 0.36 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1r28 h MET 110 CO 0.01 0.77 0.18 -0.92 1.06 0.00 0.00 176.91 178.01 1r28 h TYR 111 N 0.17 0.73 -0.00 -0.22 3.20 -0.86 -1.75 116.97 118.24 1r28 h TYR 111 Ca 0.04 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1r28 h TYR 111 Cb 0.64 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.68 1r28 h TYR 111 CO 0.07 0.58 -0.21 1.28 -1.64 0.00 0.00 178.16 178.24 1r28 n LEU 112 N -4.33 0.37 -2.70 2.82 4.77 0.01 -4.75 117.00 113.20 1r28 n LEU 112 Ca 0.04 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 56.05 1r28 n LEU 112 Cb 0.17 -0.29 0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1r28 n LEU 112 CO 0.38 0.08 0.03 0.00 -1.33 0.00 0.00 177.39 176.55 1r28 n GLN 113 N -1.28 -1.88 -3.43 3.23 6.02 -0.02 -2.61 117.38 117.41 1r28 n GLN 113 Ca 0.09 0.60 -0.27 0.00 -0.01 0.00 0.00 57.00 57.41 1r28 n GLN 113 Cb 0.32 -4.52 -0.08 0.00 1.02 0.00 0.00 30.24 26.98 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 -2.74 2.34 -0.40 -1.09 2.81 0.50 -3.37 117.12 115.18 1r28 n MET 114 Ca -0.06 -4.54 -0.08 0.00 -1.81 0.00 0.00 57.70 51.20 1r28 n MET 114 Cb 0.59 -2.17 -0.05 0.00 -0.71 0.00 0.00 33.22 30.87 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 4.23 -0.02 -0.78 0.03 4.22 -1.94 0.13 114.58 120.44 1r28 h GLU 115 Ca 0.19 0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.68 1r28 h GLU 115 Cb 0.68 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 1r28 h GLU 115 CO 0.80 -0.01 0.48 0.45 -2.18 0.00 0.00 179.01 178.55 1r28 h HIS 116 N -0.02 0.89 -0.54 0.92 3.86 -1.97 0.17 115.15 118.45 1r28 h HIS 116 Ca 0.22 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.34 1r28 h HIS 116 Cb 0.48 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 1r28 h HIS 116 CO -0.97 0.47 -0.10 0.28 0.86 0.00 0.00 177.93 178.47 1r28 h VAL 117 N 0.90 1.27 0.37 2.45 2.07 -1.62 -0.42 116.25 121.27 1r28 h VAL 117 Ca 0.33 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 1r28 h VAL 117 Cb 0.11 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1r28 h VAL 117 CO -0.15 0.45 -0.40 0.58 0.02 0.00 0.00 177.57 178.06 1r28 h VAL 118 N 0.91 0.00 -0.87 2.57 2.07 0.62 -0.35 116.25 121.20 1r28 h VAL 118 Ca 0.14 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.80 1r28 h VAL 118 Cb 0.67 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.37 1r28 h VAL 118 CO 0.05 0.00 0.56 -0.78 0.02 0.00 0.00 177.57 177.42 1r28 h ASP 119 N -0.78 0.64 -0.56 0.57 3.58 -0.66 0.25 116.42 119.46 1r28 h ASP 119 Ca -0.05 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.38 1r28 h ASP 119 Cb 0.69 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 1r28 h ASP 119 CO -0.06 0.34 0.14 0.74 -2.88 0.00 0.00 179.24 177.51 1r28 h THR 120 N 0.69 1.25 -0.14 2.25 2.02 -0.68 -0.28 112.91 118.01 1r28 h THR 120 Ca 0.43 -0.88 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1r28 h THR 120 Cb 0.67 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1r28 h THR 120 CO -0.19 0.32 -0.01 0.00 0.37 0.00 0.00 175.52 176.01 1r28 h ARG 122 N -0.02 -0.10 -0.44 0.00 2.43 -0.38 -0.24 114.38 115.63 1r28 h ARG 122 Ca 0.04 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1r28 h ARG 122 Cb 0.41 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1r28 h ARG 122 CO 0.01 -0.06 0.29 0.87 -1.51 0.00 0.00 179.97 179.57 1r28 h LYS 123 N -0.10 0.58 -0.83 0.20 1.79 -1.00 -1.51 116.57 115.70 1r28 h LYS 123 Ca 0.19 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 1r28 h LYS 123 Cb 0.40 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.88 1r28 h LYS 123 CO -0.46 0.38 0.47 0.35 -1.08 0.00 0.00 179.45 179.11 1r28 h PHE 124 N 0.60 1.12 -0.34 -1.35 3.57 -0.54 -1.96 116.94 118.04 1r28 h PHE 124 Ca 0.16 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1r28 h PHE 124 Cb -0.07 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.30 1r28 h PHE 124 CO -0.04 0.76 0.09 0.82 -2.23 0.00 0.00 178.31 177.71 1r28 h ILE 125 N 1.15 1.22 0.00 1.41 2.04 -0.63 -0.50 117.51 122.20 1r28 h ILE 125 Ca 0.29 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 1r28 h ILE 125 Cb 0.00 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1r28 h ILE 125 CO -0.05 0.25 -0.02 0.11 0.00 0.00 0.00 178.15 178.44 1r28 h LYS 126 N 0.39 0.00 0.00 2.37 1.57 -0.87 0.28 116.57 120.31 1r28 h LYS 126 Ca 0.11 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.70 1r28 h LYS 126 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1r28 h LYS 126 CO -0.00 0.02 -1.10 0.00 -0.57 0.00 0.00 179.45 177.80 1r28 h ALA 127 N 1.98 0.59 0.00 3.86 0.00 -0.83 -3.51 119.26 121.35 1r28 h ALA 127 Ca -0.00 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1r28 h ALA 127 Cb 0.18 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1r28 h ALA 127 CO 0.00 1.06 0.00 0.45 0.00 0.00 0.00 179.25 180.77