#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2b s ASP 6 N 0.00 3.91 0.09 0.00 1.01 -1.26 -5.13 116.67 115.29 1r2b s ASP 6 Ca 0.00 -0.30 -0.00 0.00 0.71 0.00 0.00 52.55 52.96 1r2b s ASP 6 Cb 0.00 -0.73 -0.04 0.00 1.01 0.00 0.00 42.92 43.15 1r2b s ASP 6 CO 0.00 0.30 -0.02 -0.55 0.21 0.00 0.00 175.17 175.11 1r2b s SER 7 N -1.04 0.70 -0.02 0.27 0.15 -1.26 -5.16 113.70 107.33 1r2b s SER 7 Ca 0.13 -1.05 -0.00 0.00 0.70 0.00 0.00 55.95 55.73 1r2b s SER 7 Cb -0.11 0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.41 1r2b s SER 7 CO 0.03 -0.58 0.02 -1.58 1.20 0.00 0.00 173.24 172.33 1r2b s GLN 8 N -3.92 0.06 -0.25 5.44 0.74 -1.26 -5.13 119.66 115.35 1r2b s GLN 8 Ca 0.13 0.17 -0.08 0.00 0.05 0.00 0.00 55.36 55.62 1r2b s GLN 8 Cb 0.07 -0.34 -0.04 0.00 1.10 0.00 0.00 33.01 33.80 1r2b s GLN 8 CO -0.05 -0.17 0.10 0.42 -0.55 0.00 0.00 175.29 175.03 1r2b s ILE 9 N 1.15 4.62 -0.34 -2.34 1.01 -1.26 -5.07 121.20 118.96 1r2b s ILE 9 Ca -0.08 -0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.39 1r2b s ILE 9 Cb -0.13 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.19 1r2b s ILE 9 CO -0.03 0.33 0.19 -1.10 0.00 0.00 0.00 174.94 174.33 1r2b s GLN 10 N 1.48 3.11 -0.71 2.79 -0.21 -1.26 -5.04 119.66 119.82 1r2b s GLN 10 Ca 0.06 -0.88 -0.22 0.00 0.02 0.00 0.00 55.36 54.33 1r2b s GLN 10 Cb -0.15 -3.67 0.08 0.00 1.00 0.00 0.00 33.01 30.27 1r2b s GLN 10 CO 0.05 -0.55 1.02 -0.06 -2.12 0.00 0.00 175.29 173.62 1r2b s PHE 11 N 1.60 2.71 0.59 0.91 0.40 -1.26 -4.92 117.98 118.01 1r2b s PHE 11 Ca 0.04 -0.65 0.39 0.00 -0.60 0.00 0.00 56.93 56.10 1r2b s PHE 11 Cb -0.18 -4.32 2.13 0.00 0.51 0.00 0.00 43.02 41.16 1r2b s PHE 11 CO 0.07 -1.66 2.30 1.79 0.70 0.00 0.00 175.22 178.42 1r2b h THR 12 N 5.98 0.19 -0.22 0.64 1.35 -2.06 -2.40 112.91 116.39 1r2b h THR 12 Ca -0.21 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1r2b h THR 12 Cb 1.06 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1r2b h THR 12 CO 1.18 0.01 0.00 -2.11 -0.25 0.00 0.00 175.52 174.35 1r2b n ARG 13 N -3.34 2.47 0.12 4.72 1.85 -1.26 -4.70 116.66 116.53 1r2b n ARG 13 Ca -0.03 -1.77 -0.13 0.00 -1.00 0.00 0.00 57.85 54.92 1r2b n ARG 13 Cb 0.10 -1.20 -0.06 0.00 -1.05 0.00 0.00 32.46 30.25 1r2b n ARG 13 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1r2b h HIS 14 N 1.55 -0.50 -1.00 2.89 2.76 -1.85 0.30 115.15 119.30 1r2b h HIS 14 Ca 0.00 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.23 1r2b h HIS 14 Cb 0.62 0.20 -0.06 0.00 1.55 0.00 0.00 27.41 29.72 1r2b h HIS 14 CO 0.15 -0.28 0.65 0.00 -1.30 0.00 0.00 177.93 177.14 1r2b h ALA 15 N 0.40 1.35 -0.42 5.26 0.00 -1.84 0.16 119.26 124.17 1r2b h ALA 15 Ca 0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1r2b h ALA 15 Cb 0.39 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1r2b h ALA 15 CO -0.08 0.50 -0.15 1.03 0.00 0.00 0.00 179.25 180.55 1r2b h SER 16 N 1.22 0.79 0.08 0.00 0.87 -1.72 -0.56 113.55 114.23 1r2b h SER 16 Ca 0.41 -0.25 -0.12 0.00 -1.23 0.00 0.00 61.79 60.60 1r2b h SER 16 Cb 0.08 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1r2b h SER 16 CO -0.15 0.94 -0.40 0.44 -0.53 0.00 0.00 176.83 177.13 1r2b h ASP 17 N 0.70 0.44 -0.18 6.23 3.32 0.77 -0.92 116.42 126.78 1r2b h ASP 17 Ca 0.11 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1r2b h ASP 17 Cb 0.64 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1r2b h ASP 17 CO 0.04 0.80 -0.03 0.58 -1.72 0.00 0.00 179.24 178.92 1r2b h VAL 18 N 0.35 1.27 -0.70 -1.35 2.07 -0.43 -1.97 116.25 115.48 1r2b h VAL 18 Ca 0.03 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1r2b h VAL 18 Cb 0.86 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1r2b h VAL 18 CO 0.07 0.29 0.31 0.25 0.02 0.00 0.00 177.57 178.51 1r2b h LEU 19 N 0.07 0.92 -0.37 2.57 5.85 -0.94 -0.83 115.31 122.57 1r2b h LEU 19 Ca 0.05 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1r2b h LEU 19 Cb 0.44 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1r2b h LEU 19 CO 0.01 0.79 0.13 0.25 -0.34 0.00 0.00 178.44 179.29 1r2b h LEU 20 N 1.00 0.53 -1.61 2.25 5.85 -1.10 -1.68 115.31 120.54 1r2b h LEU 20 Ca 0.24 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1r2b h LEU 20 Cb 0.14 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1r2b h LEU 20 CO -0.03 0.57 -0.16 0.78 -0.34 0.00 0.00 178.44 179.26 1r2b h ASN 21 N 0.46 0.04 0.11 1.25 2.35 -0.70 -0.98 115.58 118.11 1r2b h ASN 21 Ca 0.12 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.72 1r2b h ASN 21 Cb 0.22 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1r2b h ASN 21 CO -0.01 0.21 -0.54 -0.07 -1.65 0.00 0.00 177.43 175.37 1r2b h LEU 22 N 0.04 0.51 -0.35 1.61 3.38 -0.78 -1.04 115.31 118.68 1r2b h LEU 22 Ca 0.01 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 1r2b h LEU 22 Cb 0.32 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1r2b h LEU 22 CO 0.02 0.95 -0.08 -1.13 0.09 0.00 0.00 178.44 178.29 1r2b h ASN 23 N 0.36 0.68 -0.47 -0.43 -0.00 -0.60 -1.08 115.58 114.05 1r2b h ASN 23 Ca 0.01 -0.36 0.05 0.00 -0.00 0.00 0.00 56.30 56.00 1r2b h ASN 23 Cb 1.06 -0.19 -0.05 0.00 -0.00 0.00 0.00 38.32 39.14 1r2b h ASN 23 CO 0.10 0.89 0.20 0.03 -0.00 0.00 0.00 177.43 178.64 1r2b h ARG 24 N 0.47 0.39 -0.79 6.67 2.47 -1.01 0.86 114.38 123.44 1r2b h ARG 24 Ca 0.09 -0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.82 1r2b h ARG 24 Cb 0.58 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.77 1r2b h ARG 24 CO 0.03 0.26 0.52 -0.07 0.56 0.00 0.00 179.97 181.27 1r2b h LEU 25 N 0.40 0.85 -0.14 3.04 3.38 -0.87 -0.97 115.31 120.99 1r2b h LEU 25 Ca 0.22 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1r2b h LEU 25 Cb 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1r2b h LEU 25 CO -0.19 0.59 0.02 -0.09 0.09 0.00 0.00 178.44 178.86 1r2b h ARG 26 N 0.99 0.25 -0.86 1.13 2.43 0.23 0.76 114.38 119.30 1r2b h ARG 26 Ca 0.31 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1r2b h ARG 26 Cb 0.01 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 1r2b h ARG 26 CO -0.09 0.45 0.51 0.66 -1.51 0.00 0.00 179.97 179.99 1r2b h SER 27 N 0.01 1.03 -0.13 -3.80 4.64 -0.43 -0.65 113.55 114.23 1r2b h SER 27 Ca 0.04 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1r2b h SER 27 Cb 0.33 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1r2b h SER 27 CO 0.00 0.79 0.00 0.54 -0.87 0.00 0.00 176.83 177.30 1r2b n ARG 28 N -4.36 1.42 -3.62 4.77 1.74 -0.41 -4.90 116.66 111.30 1r2b n ARG 28 Ca 0.09 -0.65 -0.27 0.00 -0.77 0.00 0.00 57.85 56.26 1r2b n ARG 28 Cb 0.07 -1.29 0.03 0.00 -1.02 0.00 0.00 32.46 30.25 1r2b n ARG 28 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1r2b n ASP 29 N -0.09 -5.08 -4.69 0.55 4.64 -0.25 -4.95 116.55 106.69 1r2b n ASP 29 Ca 0.12 -0.59 -0.38 0.00 -1.38 0.00 0.00 54.79 52.57 1r2b n ASP 29 Cb 0.20 -4.07 -0.07 0.00 -1.04 0.00 0.00 41.12 36.14 1r2b n ASP 29 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1r2b s ILE 30 N -3.21 5.22 -0.48 5.18 1.01 0.25 -4.19 121.20 124.98 1r2b s ILE 30 Ca 0.55 0.73 0.00 0.00 0.00 0.00 0.00 60.65 61.93 1r2b s ILE 30 Cb -0.27 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1r2b s ILE 30 CO 0.67 0.29 0.00 0.18 0.00 0.00 0.00 174.94 176.09 1r2b n LEU 31 N 4.14 0.40 -4.74 2.97 7.99 -1.26 -4.58 117.00 121.92 1r2b n LEU 31 Ca -0.09 0.11 -0.42 0.00 -0.01 0.00 0.00 56.01 55.61 1r2b n LEU 31 Cb 0.51 -2.45 -0.03 0.00 -0.11 0.00 0.00 43.42 41.35 1r2b n LEU 31 CO 0.41 -0.96 1.09 0.42 -1.51 0.00 0.00 177.39 176.84 1r2b s THR 32 N -1.44 2.87 -0.06 -5.08 -4.23 -1.26 -4.90 115.64 101.55 1r2b s THR 32 Ca 0.00 0.70 0.08 0.00 -1.18 0.00 0.00 61.69 61.29 1r2b s THR 32 Cb 0.00 -3.45 0.12 0.00 1.34 0.00 0.00 72.50 70.52 1r2b s THR 32 CO 0.00 0.09 1.05 -0.90 -0.54 0.00 0.00 174.62 174.33 1r2b n ASP 33 N 2.84 2.08 -3.50 3.99 3.85 -0.85 -4.94 116.55 120.03 1r2b n ASP 33 Ca 0.08 -2.45 -0.15 0.00 -0.71 0.00 0.00 54.79 51.57 1r2b n ASP 33 Cb 0.41 -0.19 -0.05 0.00 -1.35 0.00 0.00 41.12 39.95 1r2b n ASP 33 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1r2b s VAL 34 N -1.77 0.00 -0.05 2.12 0.11 -1.15 -4.77 120.40 114.90 1r2b s VAL 34 Ca 0.14 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.24 1r2b s VAL 34 Cb 0.12 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.96 1r2b s VAL 34 CO 0.01 0.00 -0.20 -0.69 -3.33 0.00 0.00 175.10 170.89 1r2b s VAL 35 N -1.89 1.65 -0.18 2.04 1.01 -0.87 -1.82 120.40 120.34 1r2b s VAL 35 Ca -0.06 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1r2b s VAL 35 Cb -0.00 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1r2b s VAL 35 CO 0.02 0.47 -0.04 -0.63 0.00 0.00 0.00 175.10 174.92 1r2b s ILE 36 N -0.05 3.70 -0.24 2.22 -1.09 -0.01 -1.48 121.20 124.25 1r2b s ILE 36 Ca -0.03 -0.41 -0.08 0.00 -2.23 0.00 0.00 60.65 57.90 1r2b s ILE 36 Cb -0.12 -2.64 -0.03 0.00 -1.58 0.00 0.00 42.46 38.09 1r2b s ILE 36 CO 0.03 0.47 0.08 -0.69 -1.23 0.00 0.00 174.94 173.59 1r2b s VAL 37 N 0.74 4.42 -0.23 2.92 1.01 0.27 -1.70 120.40 127.84 1r2b s VAL 37 Ca -0.02 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1r2b s VAL 37 Cb -0.15 -3.06 0.05 0.00 0.00 0.00 0.00 36.38 33.22 1r2b s VAL 37 CO 0.02 0.34 -0.11 -0.69 0.00 0.00 0.00 175.10 174.66 1r2b s VAL 38 N 1.50 1.92 0.00 2.92 1.01 -0.23 -2.43 120.40 125.09 1r2b s VAL 38 Ca 0.06 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.74 1r2b s VAL 38 Cb -0.15 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1r2b s VAL 38 CO 0.04 0.11 0.00 -1.20 0.00 0.00 0.00 175.10 174.05 1r2b n SER 39 N 4.56 0.00 -0.92 3.32 7.64 -1.26 -0.85 113.62 126.12 1r2b n SER 39 Ca -0.15 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.85 1r2b n SER 39 Cb 0.45 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.90 1r2b n SER 39 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1r2b n ARG 40 N 14.00 2.22 -3.58 1.43 1.74 -1.26 -4.93 116.66 126.29 1r2b n ARG 40 Ca 0.00 -1.82 -0.37 0.00 -0.77 0.00 0.00 57.85 54.89 1r2b n ARG 40 Cb 0.00 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 29.91 1r2b n ARG 40 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1r2b s GLU 41 N -1.71 3.81 0.17 5.56 2.02 -0.03 -5.09 118.70 123.43 1r2b s GLU 41 Ca 0.35 0.28 0.06 0.00 0.02 0.00 0.00 54.97 55.69 1r2b s GLU 41 Cb 0.21 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 31.21 1r2b s GLU 41 CO 0.30 0.69 0.07 -0.65 0.02 0.00 0.00 175.26 175.69 1r2b s GLN 42 N -1.19 2.65 -0.12 1.61 -0.21 -1.26 -1.07 119.66 120.07 1r2b s GLN 42 Ca 0.24 -1.00 -0.04 0.00 0.02 0.00 0.00 55.36 54.58 1r2b s GLN 42 Cb -0.16 -2.50 0.06 0.00 1.00 0.00 0.00 33.01 31.42 1r2b s GLN 42 CO 0.13 0.47 0.22 -0.06 -2.12 0.00 0.00 175.29 173.92 1r2b s PHE 43 N -1.76 -0.33 0.37 0.91 0.40 -0.69 -4.96 117.98 111.93 1r2b s PHE 43 Ca 0.29 0.75 -0.19 0.00 -0.60 0.00 0.00 56.93 57.18 1r2b s PHE 43 Cb -0.10 -0.15 -0.10 0.00 0.51 0.00 0.00 43.02 43.18 1r2b s PHE 43 CO 0.21 -0.36 0.86 1.03 0.70 0.00 0.00 175.22 177.66 1r2b s ARG 44 N 2.37 4.19 0.15 0.44 1.81 -1.26 -0.83 118.95 125.82 1r2b s ARG 44 Ca 0.03 0.98 -0.23 0.00 -1.72 0.00 0.00 55.73 54.78 1r2b s ARG 44 Cb -0.13 -2.38 0.08 0.00 -0.45 0.00 0.00 34.95 32.08 1r2b s ARG 44 CO -0.08 0.09 1.08 0.00 -0.68 0.00 0.00 175.30 175.72 1r2b s ALA 45 N -2.01 -1.76 -0.17 2.13 0.00 -0.76 -4.96 121.76 114.23 1r2b s ALA 45 Ca 0.57 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 52.23 1r2b s ALA 45 Cb -0.11 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 1r2b s ALA 45 CO 0.16 -1.08 -0.05 -1.01 0.00 0.00 0.00 175.76 173.78 1r2b s HIS 46 N -2.14 2.97 0.20 0.00 3.76 -1.26 -2.00 115.29 116.82 1r2b s HIS 46 Ca 0.23 -0.53 -0.10 0.00 -0.15 0.00 0.00 55.06 54.51 1r2b s HIS 46 Cb -0.02 -1.99 0.23 0.00 1.11 0.00 0.00 32.58 31.91 1r2b s HIS 46 CO 0.04 -0.22 1.78 0.87 -0.85 0.00 0.00 174.74 176.36 1r2b h LYS 47 N 7.16 0.53 -0.89 1.40 1.57 -1.93 -1.58 116.57 122.82 1r2b h LYS 47 Ca -0.33 -0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.55 1r2b h LYS 47 Cb 1.19 -0.12 -0.09 0.00 0.08 0.00 0.00 32.23 33.29 1r2b h LYS 47 CO 0.60 0.35 0.51 1.79 -0.57 0.00 0.00 179.45 182.13 1r2b h THR 48 N 0.54 0.82 -0.12 -0.16 1.35 -1.98 0.43 112.91 113.79 1r2b h THR 48 Ca 0.28 -0.27 -0.06 0.00 -0.55 0.00 0.00 66.41 65.82 1r2b h THR 48 Cb 0.24 -0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 66.64 1r2b h THR 48 CO -0.22 0.14 -0.16 0.58 -0.25 0.00 0.00 175.52 175.61 1r2b h VAL 49 N 0.77 1.37 -0.60 6.82 2.07 -1.83 -0.80 116.25 124.06 1r2b h VAL 49 Ca 0.46 -1.38 0.07 0.00 0.82 0.00 0.00 66.70 66.67 1r2b h VAL 49 Cb 0.56 2.01 -0.06 0.00 -1.52 0.00 0.00 31.29 32.27 1r2b h VAL 49 CO -0.31 0.40 0.29 -0.07 0.02 0.00 0.00 177.57 177.90 1r2b h LEU 50 N -0.10 0.38 -0.61 2.57 3.38 -0.60 -1.63 115.31 118.70 1r2b h LEU 50 Ca 0.01 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1r2b h LEU 50 Cb 0.71 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1r2b h LEU 50 CO 0.04 0.25 0.08 0.24 0.09 0.00 0.00 178.44 179.14 1r2b h MET 51 N 0.53 1.01 -0.04 1.13 2.86 -0.13 0.65 114.93 120.95 1r2b h MET 51 Ca 0.28 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1r2b h MET 51 Cb 0.24 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 1r2b h MET 51 CO -0.22 0.96 -0.07 0.00 1.06 0.00 0.00 176.91 178.64 1r2b h ALA 52 N 1.01 1.80 0.00 6.32 0.00 -0.55 -3.27 119.26 124.58 1r2b h ALA 52 Ca 0.18 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 1r2b h ALA 52 Cb 0.45 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1r2b h ALA 52 CO 0.01 0.15 -2.17 0.00 0.00 0.00 0.00 179.25 177.24 1r2b s SER 54 N -4.96 2.89 0.40 0.00 0.15 0.19 -4.75 113.70 107.62 1r2b s SER 54 Ca -0.09 -0.54 0.06 0.00 0.70 0.00 0.00 55.95 56.09 1r2b s SER 54 Cb 0.09 -1.33 0.82 0.00 -1.71 0.00 0.00 66.02 63.90 1r2b s SER 54 CO 0.84 0.08 2.05 1.23 1.20 0.00 0.00 173.24 178.64 1r2b h GLY 55 N 7.19 0.63 0.63 9.45 0.00 -1.37 -0.97 103.07 118.63 1r2b h GLY 55 Ca -0.29 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 1r2b h GLY 55 CO 0.52 0.23 -0.30 -2.00 0.00 0.00 0.00 176.54 174.98 1r2b h LEU 56 N 0.60 -0.72 -2.11 3.11 5.85 -1.75 -2.21 115.31 118.08 1r2b h LEU 56 Ca 0.17 0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.00 1r2b h LEU 56 Cb -0.06 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1r2b h LEU 56 CO -0.04 -0.43 0.29 -0.26 -0.34 0.00 0.00 178.44 177.67 1r2b h PHE 57 N -1.02 0.00 -0.35 1.25 0.05 -1.77 0.36 116.94 115.46 1r2b h PHE 57 Ca -0.09 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.67 1r2b h PHE 57 Cb 0.65 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.58 1r2b h PHE 57 CO 0.04 0.00 0.10 -0.92 -0.18 0.00 0.00 178.31 177.35 1r2b h TYR 58 N 0.00 0.57 -0.08 -0.55 3.20 -0.97 -1.48 116.97 117.67 1r2b h TYR 58 Ca 0.14 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1r2b h TYR 58 Cb 0.73 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.83 1r2b h TYR 58 CO 0.00 0.56 -0.00 0.77 -1.64 0.00 0.00 178.16 177.85 1r2b h SER 59 N 0.42 0.14 -0.46 -2.11 0.02 0.26 -1.75 113.55 110.07 1r2b h SER 59 Ca 0.11 -0.32 0.08 0.00 -0.84 0.00 0.00 61.79 60.82 1r2b h SER 59 Cb 0.26 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.70 1r2b h SER 59 CO -0.00 0.42 0.06 0.40 -1.14 0.00 0.00 176.83 176.57 1r2b h ILE 60 N -0.15 0.71 -0.01 3.27 2.04 -1.01 0.10 117.51 122.46 1r2b h ILE 60 Ca 0.02 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1r2b h ILE 60 Cb 0.36 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1r2b h ILE 60 CO 0.00 0.03 0.00 0.49 0.00 0.00 0.00 178.15 178.68 1r2b n PHE 61 N -5.15 0.00 0.18 1.37 0.99 -0.56 -2.58 117.46 111.70 1r2b n PHE 61 Ca 0.04 -0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.60 1r2b n PHE 61 Cb 0.23 0.00 -0.13 0.00 -1.00 0.00 0.00 39.48 38.58 1r2b n PHE 61 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1r2b n THR 62 N -0.49 0.09 -2.34 4.37 -1.04 -0.24 -4.68 114.28 109.95 1r2b n THR 62 Ca 0.22 -0.42 -0.43 0.00 -2.04 0.00 0.00 64.05 61.38 1r2b n THR 62 Cb 0.22 0.10 -0.02 0.00 -1.82 0.00 0.00 70.33 68.80 1r2b n THR 62 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1r2b s ASP 63 N -4.39 6.28 0.47 8.00 -1.08 0.18 -4.91 116.67 121.23 1r2b s ASP 63 Ca -0.04 0.76 0.28 0.00 -0.52 0.00 0.00 52.55 53.03 1r2b s ASP 63 Cb 0.14 -2.54 1.34 0.00 -1.46 0.00 0.00 42.92 40.40 1r2b s ASP 63 CO 0.88 -1.49 1.79 0.06 0.52 0.00 0.00 175.17 176.93 1r2b h GLN 64 N 10.88 0.18 -0.01 4.34 -0.00 -1.89 0.22 115.11 128.82 1r2b h GLN 64 Ca -0.28 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 1r2b h GLN 64 Cb 1.11 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 28.55 1r2b h GLN 64 CO 1.10 0.12 -0.02 1.47 -0.00 0.00 0.00 178.83 181.50 1r2b n LEU 65 N -4.41 1.33 -0.01 0.06 -0.00 -1.26 -3.96 117.00 108.75 1r2b n LEU 65 Ca 0.25 -0.44 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 1r2b n LEU 65 Cb 1.07 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 44.48 1r2b n LEU 65 CO 0.33 0.22 0.33 0.29 -0.00 0.00 0.00 177.39 178.56 1r2b n LYS 66 N 0.01 0.92 0.01 1.47 5.02 0.47 -4.87 118.16 121.19 1r2b n LYS 66 Ca 0.19 -0.84 -0.10 0.00 -2.02 0.00 0.00 58.31 55.54 1r2b n LYS 66 Cb 0.33 -0.66 -0.08 0.00 -0.02 0.00 0.00 35.03 34.60 1r2b n LYS 66 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1r2b h ARG 67 N 0.00 -0.13 -0.18 1.97 2.43 -0.87 -3.26 114.38 114.34 1r2b h ARG 67 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1r2b h ARG 67 Cb 0.86 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1r2b h ARG 67 CO 0.00 0.38 0.00 0.09 -1.51 0.00 0.00 179.97 178.93 1r2b n ASN 68 N -4.84 0.40 -4.75 -3.80 3.02 -1.26 -4.83 115.26 99.20 1r2b n ASN 68 Ca -0.07 -2.01 -0.41 0.00 -0.03 0.00 0.00 54.58 52.06 1r2b n ASN 68 Cb 0.28 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 1r2b n ASN 68 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1r2b s LEU 69 N -0.88 4.46 0.00 3.41 2.96 -1.23 -4.94 118.68 122.46 1r2b s LEU 69 Ca 0.03 2.39 0.21 0.00 -0.22 0.00 0.00 54.13 56.54 1r2b s LEU 69 Cb 0.02 -3.62 -0.06 0.00 0.50 0.00 0.00 46.19 43.02 1r2b s LEU 69 CO 0.02 -0.39 0.99 -1.54 -1.32 0.00 0.00 176.35 174.11 1r2b n SER 70 N 1.78 1.70 -4.04 3.68 3.41 -1.26 -4.94 113.62 113.95 1r2b n SER 70 Ca 0.02 -1.35 -0.14 0.00 -0.26 0.00 0.00 58.87 57.15 1r2b n SER 70 Cb 0.44 0.61 -0.12 0.00 -0.26 0.00 0.00 64.21 64.87 1r2b n SER 70 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1r2b s VAL 71 N -2.48 0.52 -0.09 -3.33 1.01 -1.26 -2.04 120.40 112.72 1r2b s VAL 71 Ca 0.15 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 1r2b s VAL 71 Cb 0.16 -0.56 0.05 0.00 0.00 0.00 0.00 36.38 36.03 1r2b s VAL 71 CO 0.60 -0.29 0.20 -0.63 0.00 0.00 0.00 175.10 174.99 1r2b s ILE 72 N -1.14 -0.16 0.32 2.22 -1.09 -0.55 -4.95 121.20 115.84 1r2b s ILE 72 Ca -0.08 0.23 0.06 0.00 -2.23 0.00 0.00 60.65 58.63 1r2b s ILE 72 Cb -0.09 -0.34 -0.01 0.00 -1.58 0.00 0.00 42.46 40.44 1r2b s ILE 72 CO 0.00 0.09 0.43 0.20 -1.23 0.00 0.00 174.94 174.44 1r2b s ASN 73 N 1.68 5.98 0.38 3.58 0.01 -1.26 0.95 114.94 126.26 1r2b s ASN 73 Ca -0.05 -0.16 0.05 0.00 -0.71 0.00 0.00 52.86 51.99 1r2b s ASN 73 Cb -0.11 -1.33 -0.02 0.00 0.41 0.00 0.00 41.25 40.19 1r2b s ASN 73 CO -0.07 -0.35 0.20 -0.76 -1.51 0.00 0.00 177.10 174.60 1r2b s LEU 74 N -4.12 1.88 0.08 0.60 1.43 -1.02 -4.88 118.68 112.65 1r2b s LEU 74 Ca 0.43 -1.74 -0.35 0.00 -1.03 0.00 0.00 54.13 51.43 1r2b s LEU 74 Cb -0.09 0.21 -0.15 0.00 0.03 0.00 0.00 46.19 46.19 1r2b s LEU 74 CO 0.30 -1.02 1.55 -0.67 0.23 0.00 0.00 176.35 176.75 1r2b n ASP 75 N -1.47 2.64 0.06 2.29 2.03 -1.26 -4.78 116.55 116.05 1r2b n ASP 75 Ca -0.00 1.08 0.07 0.00 0.52 0.00 0.00 54.79 56.45 1r2b n ASP 75 Cb 0.64 -1.33 0.31 0.00 -0.72 0.00 0.00 41.12 40.02 1r2b n ASP 75 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1r2b n PRO 76 N 3.68 0.07 -0.03 -0.67 -0.04 -1.26 -1.24 135.00 135.51 1r2b n PRO 76 Ca 0.19 0.44 0.13 0.00 -0.04 0.00 0.00 63.50 64.22 1r2b n PRO 76 Cb 0.25 -1.67 0.49 0.00 -0.04 0.00 0.00 33.50 32.52 1r2b n PRO 76 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1r2b n GLU 77 N -1.81 1.65 -2.95 0.54 4.07 -1.26 -4.71 120.64 116.18 1r2b n GLU 77 Ca 0.01 -0.96 -0.43 0.00 -0.06 0.00 0.00 57.16 55.72 1r2b n GLU 77 Cb 0.10 -1.45 -0.05 0.00 -0.06 0.00 0.00 31.44 29.98 1r2b n GLU 77 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1r2b s ILE 78 N -1.92 4.57 0.43 6.31 -1.09 -0.37 -5.03 121.20 124.10 1r2b s ILE 78 Ca 0.36 0.11 -0.26 0.00 -2.23 0.00 0.00 60.65 58.63 1r2b s ILE 78 Cb 0.20 -4.43 -0.09 0.00 -1.58 0.00 0.00 42.46 36.56 1r2b s ILE 78 CO 0.31 -0.95 1.45 0.54 -1.23 0.00 0.00 174.94 175.06 1r2b s ASN 79 N 2.65 5.99 0.27 3.58 4.22 -1.26 -4.61 114.94 125.77 1r2b s ASN 79 Ca 0.26 2.96 -0.04 0.00 -2.14 0.00 0.00 52.86 53.91 1r2b s ASN 79 Cb -0.14 -2.66 0.34 0.00 1.28 0.00 0.00 41.25 40.07 1r2b s ASN 79 CO 0.18 -1.11 1.90 -0.65 -2.04 0.00 0.00 177.10 175.39 1r2b h PRO 80 N 2.50 1.13 0.73 3.55 0.11 -1.96 -3.09 132.00 134.97 1r2b h PRO 80 Ca -0.51 -0.12 -0.03 0.00 0.11 0.00 0.00 66.00 65.45 1r2b h PRO 80 Cb 1.26 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1r2b h PRO 80 CO 0.62 0.81 -0.42 1.49 -0.21 0.00 0.00 178.00 180.29 1r2b h GLU 81 N 1.14 -1.04 -1.01 1.05 4.81 -1.99 0.15 114.58 117.70 1r2b h GLU 81 Ca 0.29 0.07 0.23 0.00 -0.13 0.00 0.00 59.36 59.83 1r2b h GLU 81 Cb -0.01 0.24 -0.11 0.00 0.63 0.00 0.00 28.75 29.50 1r2b h GLU 81 CO -0.05 -0.69 0.62 0.78 -0.73 0.00 0.00 179.01 178.94 1r2b h GLY 82 N -1.07 1.64 1.39 1.92 0.00 -1.88 0.14 103.07 105.20 1r2b h GLY 82 Ca -0.10 -0.29 -0.16 0.00 0.00 0.00 0.00 47.33 46.78 1r2b h GLY 82 CO 0.12 -0.15 -0.52 -2.75 0.00 0.00 0.00 176.54 173.24 1r2b h PHE 83 N 0.57 0.80 -0.40 5.60 3.57 -1.39 -2.74 116.94 122.96 1r2b h PHE 83 Ca 0.61 -0.27 -0.10 0.00 3.53 0.00 0.00 57.97 61.73 1r2b h PHE 83 Cb 1.21 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 1r2b h PHE 83 CO -0.00 1.03 -0.16 -0.97 -2.23 0.00 0.00 178.31 175.98 1r2b h ASN 84 N 0.51 0.73 -0.74 0.41 -1.24 0.19 -1.15 115.58 114.29 1r2b h ASN 84 Ca 0.02 -0.23 -0.06 0.00 0.71 0.00 0.00 56.30 56.73 1r2b h ASN 84 Cb 1.07 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.89 1r2b h ASN 84 CO 0.10 0.90 0.23 0.40 -1.29 0.00 0.00 177.43 177.77 1r2b h ILE 85 N 0.66 1.26 -0.36 2.57 2.04 -1.06 -1.28 117.51 121.34 1r2b h ILE 85 Ca 0.11 -0.91 -0.15 0.00 1.00 0.00 0.00 64.86 64.90 1r2b h ILE 85 Cb 0.64 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1r2b h ILE 85 CO 0.04 0.36 -0.37 -0.07 0.00 0.00 0.00 178.15 178.11 1r2b h LEU 86 N 1.10 0.91 -0.76 1.44 3.38 -1.17 -1.45 115.31 118.77 1r2b h LEU 86 Ca 0.24 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1r2b h LEU 86 Cb 0.31 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1r2b h LEU 86 CO -0.01 1.18 0.12 0.25 0.09 0.00 0.00 178.44 180.07 1r2b h LEU 87 N 0.71 1.01 -0.11 1.67 5.85 -0.99 -0.96 115.31 122.50 1r2b h LEU 87 Ca 0.06 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1r2b h LEU 87 Cb 0.95 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 1r2b h LEU 87 CO 0.09 1.00 0.02 0.44 -0.34 0.00 0.00 178.44 179.65 1r2b h ASP 88 N 1.00 0.16 -0.67 1.25 3.45 -1.12 -2.60 116.42 117.88 1r2b h ASP 88 Ca 0.20 -0.24 0.14 0.00 0.43 0.00 0.00 57.03 57.57 1r2b h ASP 88 Cb 0.41 -0.04 -0.11 0.00 -0.56 0.00 0.00 39.33 39.03 1r2b h ASP 88 CO 0.01 0.36 0.09 0.15 -1.57 0.00 0.00 179.24 178.27 1r2b h PHE 89 N -0.04 0.12 -0.88 4.55 3.57 -0.94 0.22 116.94 123.53 1r2b h PHE 89 Ca 0.03 0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.69 1r2b h PHE 89 Cb 0.26 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 38.97 1r2b h PHE 89 CO 0.01 -0.12 0.51 0.52 -2.23 0.00 0.00 178.31 176.99 1r2b h MET 90 N 0.19 0.79 -0.01 1.11 2.86 -0.91 0.37 114.93 119.33 1r2b h MET 90 Ca 0.37 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 1r2b h MET 90 Cb 0.61 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1r2b h MET 90 CO -0.51 0.52 -0.36 0.66 1.06 0.00 0.00 176.91 178.28 1r2b n TYR 91 N -4.74 0.00 -0.10 -0.22 4.02 -0.38 -4.56 117.16 111.19 1r2b n TYR 91 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 1r2b n TYR 91 Cb 0.33 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 1r2b n TYR 91 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1r2b n THR 92 N -0.63 0.00 -0.85 -0.72 -2.24 0.62 -4.60 114.28 105.86 1r2b n THR 92 Ca 0.11 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1r2b n THR 92 Cb 0.37 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 1r2b n THR 92 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1r2b n SER 93 N -0.27 -0.56 -4.43 3.42 7.64 0.12 -4.98 113.62 114.57 1r2b n SER 93 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1r2b n SER 93 Cb 0.02 -0.99 -0.13 0.00 -1.01 0.00 0.00 64.21 62.10 1r2b n SER 93 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1r2b s ARG 94 N -0.41 3.48 -0.40 1.43 0.52 -1.25 -5.02 118.95 117.29 1r2b s ARG 94 Ca 0.00 -0.62 -0.04 0.00 -0.52 0.00 0.00 55.73 54.55 1r2b s ARG 94 Cb 0.00 -2.74 0.10 0.00 0.52 0.00 0.00 34.95 32.83 1r2b s ARG 94 CO 0.00 0.24 0.19 -1.17 0.02 0.00 0.00 175.30 174.58 1r2b s LEU 95 N 0.31 5.07 -0.21 2.53 2.96 -1.26 -3.15 118.68 124.94 1r2b s LEU 95 Ca -0.08 -1.82 -0.26 0.00 -0.22 0.00 0.00 54.13 51.74 1r2b s LEU 95 Cb -0.15 -1.85 -0.00 0.00 0.50 0.00 0.00 46.19 44.68 1r2b s LEU 95 CO 0.05 -0.51 0.91 0.20 -1.32 0.00 0.00 176.35 175.67 1r2b s ASN 96 N 1.85 6.97 0.34 3.68 0.01 -1.26 -5.03 114.94 121.50 1r2b s ASN 96 Ca 0.05 1.21 0.06 0.00 -0.71 0.00 0.00 52.86 53.47 1r2b s ASN 96 Cb -0.23 -2.48 -0.07 0.00 0.41 0.00 0.00 41.25 38.89 1r2b s ASN 96 CO -0.02 -0.53 0.01 -0.76 -1.51 0.00 0.00 177.10 174.29 1r2b s LEU 97 N 2.71 2.48 0.00 0.60 1.43 -1.26 -4.95 118.68 119.70 1r2b s LEU 97 Ca 0.39 -1.32 -0.04 0.00 -1.03 0.00 0.00 54.13 52.13 1r2b s LEU 97 Cb -0.16 -0.62 -0.00 0.00 0.03 0.00 0.00 46.19 45.44 1r2b s LEU 97 CO 0.09 -0.48 0.08 -0.13 0.23 0.00 0.00 176.35 176.14 1r2b s ARG 98 N -3.79 0.36 0.46 1.70 0.52 -1.26 -5.03 118.95 111.92 1r2b s ARG 98 Ca 0.34 -0.37 0.16 0.00 -0.52 0.00 0.00 55.73 55.34 1r2b s ARG 98 Cb 0.08 0.15 1.12 0.00 0.52 0.00 0.00 34.95 36.81 1r2b s ARG 98 CO 0.15 -0.08 2.01 0.93 0.02 0.00 0.00 175.30 178.34 1r2b h GLU 99 N 4.71 0.27 0.00 3.54 5.08 -2.01 -1.55 114.58 124.62 1r2b h GLU 99 Ca -0.30 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1r2b h GLU 99 Cb 1.20 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1r2b h GLU 99 CO 0.41 0.18 0.00 0.41 -1.00 0.00 0.00 179.01 179.02 1r2b n GLY 100 N -1.54 -1.46 0.00 -3.84 0.00 -1.26 -3.93 105.19 93.15 1r2b n GLY 100 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1r2b n GLY 100 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1r2b n ASN 101 N -2.09 0.86 -0.29 1.61 0.23 -0.63 -4.78 115.26 110.18 1r2b n ASN 101 Ca 0.04 -1.10 -0.00 0.00 -0.53 0.00 0.00 54.58 52.99 1r2b n ASN 101 Cb 0.32 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.22 1r2b n ASN 101 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1r2b h ILE 102 N 0.30 1.20 -0.38 1.53 2.10 -1.56 0.63 117.51 121.34 1r2b h ILE 102 Ca 0.00 -0.39 -0.06 0.00 1.08 0.00 0.00 64.86 65.48 1r2b h ILE 102 Cb 0.18 -0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 35.85 1r2b h ILE 102 CO 0.00 0.21 -0.00 0.24 -1.08 0.00 0.00 178.15 177.52 1r2b h MET 103 N 1.15 0.68 -0.22 2.19 2.86 -1.86 0.20 114.93 119.93 1r2b h MET 103 Ca 0.32 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 1r2b h MET 103 Cb -0.10 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 1r2b h MET 103 CO -0.08 0.78 -0.08 0.00 1.06 0.00 0.00 176.91 178.59 1r2b h ALA 104 N 0.88 1.46 -0.12 6.32 0.00 -1.76 0.15 119.26 126.18 1r2b h ALA 104 Ca 0.11 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1r2b h ALA 104 Cb 0.48 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1r2b h ALA 104 CO 0.02 0.38 -0.18 0.28 0.00 0.00 0.00 179.25 179.75 1r2b h VAL 105 N 0.33 1.37 -0.85 0.00 2.07 -0.38 -0.33 116.25 118.46 1r2b h VAL 105 Ca 0.07 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 1r2b h VAL 105 Cb 0.35 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 1r2b h VAL 105 CO 0.02 0.41 0.41 -0.03 0.02 0.00 0.00 177.57 178.40 1r2b h MET 106 N -0.07 1.22 -0.34 1.57 -1.53 -0.33 -0.49 114.93 114.96 1r2b h MET 106 Ca 0.01 -0.18 -0.06 0.00 -3.44 0.00 0.00 59.70 56.04 1r2b h MET 106 Cb 0.75 -0.22 -0.01 0.00 -0.55 0.00 0.00 31.60 31.57 1r2b h MET 106 CO 0.04 0.93 -0.01 0.00 0.14 0.00 0.00 176.91 178.01 1r2b h ALA 107 N 1.24 0.45 -0.84 0.39 0.00 -0.66 -2.50 119.26 117.35 1r2b h ALA 107 Ca 0.29 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1r2b h ALA 107 Cb 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1r2b h ALA 107 CO -0.04 0.22 0.38 1.15 0.00 0.00 0.00 179.25 180.96 1r2b h THR 108 N 0.40 1.26 -0.54 0.00 2.02 -0.58 -2.21 112.91 113.26 1r2b h THR 108 Ca 0.09 -0.77 -0.07 0.00 0.77 0.00 0.00 66.41 66.44 1r2b h THR 108 Cb 0.47 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1r2b h THR 108 CO 0.02 0.32 0.07 0.00 0.37 0.00 0.00 175.52 176.30 1r2b h ALA 109 N 1.21 0.72 -0.98 6.16 0.00 -1.04 -0.27 119.26 125.06 1r2b h ALA 109 Ca 0.28 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1r2b h ALA 109 Cb 0.15 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1r2b h ALA 109 CO -0.03 0.48 0.64 1.98 0.00 0.00 0.00 179.25 182.32 1r2b h MET 110 N 0.79 1.25 -0.64 0.00 -1.53 -1.25 0.59 114.93 114.16 1r2b h MET 110 Ca 0.16 -0.08 -0.04 0.00 -3.44 0.00 0.00 59.70 56.30 1r2b h MET 110 Cb 0.44 -0.28 -0.03 0.00 -0.55 0.00 0.00 31.60 31.18 1r2b h MET 110 CO 0.01 0.83 0.22 -0.92 0.14 0.00 0.00 176.91 177.20 1r2b h TYR 111 N 1.29 1.00 0.00 1.39 3.20 -0.96 -2.16 116.97 120.73 1r2b h TYR 111 Ca 0.37 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1r2b h TYR 111 Cb -0.09 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 37.88 1r2b h TYR 111 CO -0.00 0.80 0.00 1.28 -1.64 0.00 0.00 178.16 178.60 1r2b n LEU 112 N -4.39 0.00 -3.22 2.82 4.77 -0.15 -4.84 117.00 111.99 1r2b n LEU 112 Ca 0.04 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.86 1r2b n LEU 112 Cb 0.19 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.37 1r2b n LEU 112 CO 0.40 0.00 0.10 0.00 -1.33 0.00 0.00 177.39 176.56 1r2b n GLN 113 N -0.89 -6.07 -3.76 3.23 6.02 -0.12 -2.75 117.38 113.04 1r2b n GLN 113 Ca 0.18 0.77 -0.30 0.00 -0.01 0.00 0.00 57.00 57.65 1r2b n GLN 113 Cb 0.08 -5.57 -0.10 0.00 1.02 0.00 0.00 30.24 25.67 1r2b n GLN 113 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1r2b n MET 114 N -3.87 2.16 -0.26 -1.09 2.81 0.01 -2.49 117.12 114.39 1r2b n MET 114 Ca -0.26 -4.53 -0.07 0.00 -1.81 0.00 0.00 57.70 51.03 1r2b n MET 114 Cb 0.65 -2.31 0.05 0.00 -0.71 0.00 0.00 33.22 30.90 1r2b n MET 114 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1r2b h GLU 115 N 5.30 1.15 -0.90 0.03 4.39 -1.93 -2.39 114.58 120.23 1r2b h GLU 115 Ca 0.16 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1r2b h GLU 115 Cb 0.74 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 1r2b h GLU 115 CO 0.78 1.01 0.52 0.45 -1.16 0.00 0.00 179.01 180.60 1r2b h HIS 116 N 1.09 1.21 -0.45 4.33 3.86 -1.98 -0.19 115.15 123.03 1r2b h HIS 116 Ca 0.23 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.31 1r2b h HIS 116 Cb 0.37 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1r2b h HIS 116 CO 0.03 0.82 -0.17 0.28 0.86 0.00 0.00 177.93 179.75 1r2b h VAL 117 N 1.25 1.27 -0.13 2.45 2.07 -1.93 -1.01 116.25 120.22 1r2b h VAL 117 Ca 0.32 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1r2b h VAL 117 Cb -0.01 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1r2b h VAL 117 CO -0.06 0.44 0.09 0.58 0.02 0.00 0.00 177.57 178.64 1r2b h VAL 118 N 0.76 1.04 -0.27 2.57 2.07 -0.88 -1.65 116.25 119.90 1r2b h VAL 118 Ca 0.11 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1r2b h VAL 118 Cb 0.69 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1r2b h VAL 118 CO 0.05 0.04 0.06 -0.78 0.02 0.00 0.00 177.57 176.96 1r2b h ASP 119 N 0.18 0.35 -0.38 0.57 3.58 -0.88 -1.79 116.42 118.04 1r2b h ASP 119 Ca 0.05 -0.04 -0.13 0.00 0.42 0.00 0.00 57.03 57.33 1r2b h ASP 119 Cb -0.01 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 1r2b h ASP 119 CO -0.01 0.36 -0.28 0.74 -2.88 0.00 0.00 179.24 177.18 1r2b h THR 120 N 0.38 1.28 -0.74 2.25 2.02 -0.69 -1.53 112.91 115.88 1r2b h THR 120 Ca 0.09 -1.44 0.07 0.00 0.77 0.00 0.00 66.41 65.90 1r2b h THR 120 Cb 0.16 1.36 -0.06 0.00 -1.74 0.00 0.00 68.15 67.87 1r2b h THR 120 CO -0.00 0.48 0.42 0.00 0.37 0.00 0.00 175.52 176.78 1r2b h ARG 122 N 0.76 0.27 -0.74 0.00 2.43 -1.04 0.16 114.38 116.22 1r2b h ARG 122 Ca 0.33 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.50 1r2b h ARG 122 Cb 0.22 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1r2b h ARG 122 CO -0.20 0.18 0.49 0.87 -1.51 0.00 0.00 179.97 179.80 1r2b h LYS 123 N 0.28 0.96 -0.31 0.20 1.57 -0.39 -0.15 116.57 118.72 1r2b h LYS 123 Ca 0.10 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1r2b h LYS 123 Cb 0.02 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1r2b h LYS 123 CO -0.06 0.63 -0.00 0.35 -0.57 0.00 0.00 179.45 179.80 1r2b h PHE 124 N 0.98 0.60 -0.32 -1.35 3.57 0.20 -2.17 116.94 118.44 1r2b h PHE 124 Ca 0.27 -0.10 0.04 0.00 3.53 0.00 0.00 57.97 61.71 1r2b h PHE 124 Cb -0.09 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.46 1r2b h PHE 124 CO -0.00 0.68 0.10 0.82 -2.23 0.00 0.00 178.31 177.68 1r2b h ILE 125 N 0.34 0.89 -0.82 1.41 1.08 -0.13 -1.01 117.51 119.27 1r2b h ILE 125 Ca 0.09 -0.08 0.12 0.00 -0.39 0.00 0.00 64.86 64.60 1r2b h ILE 125 Cb 0.44 0.64 -0.06 0.00 -3.07 0.00 0.00 36.82 34.77 1r2b h ILE 125 CO 0.02 0.04 0.53 0.11 -0.69 0.00 0.00 178.15 178.16 1r2b h LYS 126 N 0.23 0.63 -0.00 2.37 1.57 -0.83 -2.32 116.57 118.22 1r2b h LYS 126 Ca 0.15 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1r2b h LYS 126 Cb 0.13 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1r2b h LYS 126 CO -0.17 0.42 -0.76 0.00 -0.57 0.00 0.00 179.45 178.37 1r2b n ALA 127 N -2.46 4.19 -1.58 3.86 0.00 -0.84 -5.00 120.51 118.69 1r2b n ALA 127 Ca 0.15 -0.50 -0.36 0.00 0.00 0.00 0.00 53.44 52.72 1r2b n ALA 127 Cb 0.42 -0.91 0.08 0.00 0.00 0.00 0.00 19.45 19.04 1r2b n ALA 127 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1r2b s SER 128 N -2.95 4.37 0.00 0.00 1.04 -0.43 -5.09 113.70 110.64 1r2b s SER 128 Ca 0.10 2.56 0.00 0.00 0.48 0.00 0.00 55.95 59.10 1r2b s SER 128 Cb 0.17 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1r2b s SER 128 CO 0.78 -2.16 0.00 -0.62 0.98 0.00 0.00 173.24 172.22