#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r9t n ASN 3 N 0.00 0.00 -4.21 4.04 5.15 -1.26 -5.16 115.26 113.82 1r9t n ASN 3 Ca 0.00 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.86 1r9t n ASN 3 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 1r9t n ASN 3 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1r9t s THR 4 N -4.00 0.29 0.00 -0.44 2.01 -1.26 -3.85 115.64 108.39 1r9t s THR 4 Ca 0.00 -1.97 0.00 0.00 0.31 0.00 0.00 61.69 60.03 1r9t s THR 4 Cb 0.00 -2.29 0.00 0.00 0.01 0.00 0.00 72.50 70.22 1r9t s THR 4 CO 0.00 -0.26 0.00 0.18 -0.69 0.00 0.00 174.62 173.85 1r9t n LEU 5 N -0.24 0.00 0.00 4.42 4.77 -1.26 -4.73 117.00 119.95 1r9t n LEU 5 Ca -0.03 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1r9t n LEU 5 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1r9t n LEU 5 CO 0.33 0.00 0.00 0.33 -1.33 0.00 0.00 177.39 176.72 1r9t n PHE 6 N -0.16 0.00 -3.74 -1.77 7.35 -1.26 -4.65 117.46 113.22 1r9t n PHE 6 Ca 0.00 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.57 1r9t n PHE 6 Cb 0.00 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.76 1r9t n PHE 6 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1r9t s ASP 7 N 0.00 -0.16 0.00 -2.13 -1.08 -1.26 -1.61 116.67 110.44 1r9t s ASP 7 Ca 0.00 -0.13 0.00 0.00 -0.52 0.00 0.00 52.55 51.90 1r9t s ASP 7 Cb 0.00 0.37 0.00 0.00 -1.46 0.00 0.00 42.92 41.83 1r9t s ASP 7 CO 0.00 -0.61 0.00 -0.67 0.52 0.00 0.00 175.17 174.41 1r9t n ASP 8 N 0.63 0.00 -4.72 -0.34 2.03 -0.62 -4.96 116.55 108.57 1r9t n ASP 8 Ca -0.19 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.76 1r9t n ASP 8 Cb 0.59 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.92 1r9t n ASP 8 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1r9t s ILE 9 N -2.00 5.33 0.47 5.18 1.01 -1.26 0.16 121.20 130.09 1r9t s ILE 9 Ca 0.00 0.46 0.04 0.00 0.00 0.00 0.00 60.65 61.15 1r9t s ILE 9 Cb 0.00 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1r9t s ILE 9 CO 0.00 0.39 0.01 -0.36 0.00 0.00 0.00 174.94 174.98 1r9t s PHE 10 N 0.51 2.15 -0.04 3.97 0.40 0.91 -1.94 117.98 123.94 1r9t s PHE 10 Ca 0.14 -0.83 0.01 0.00 -0.60 0.00 0.00 56.93 55.66 1r9t s PHE 10 Cb -0.13 -1.69 0.02 0.00 0.51 0.00 0.00 43.02 41.73 1r9t s PHE 10 CO 0.03 0.31 -0.04 -1.14 0.70 0.00 0.00 175.22 175.08 1r9t s GLN 11 N -3.81 0.76 -0.25 0.44 0.74 4.72 0.73 119.66 122.99 1r9t s GLN 11 Ca 0.19 -0.09 -0.27 0.00 0.05 0.00 0.00 55.36 55.24 1r9t s GLN 11 Cb 0.05 -0.78 0.01 0.00 1.10 0.00 0.00 33.01 33.39 1r9t s GLN 11 CO 0.10 -0.08 0.96 0.08 -0.55 0.00 0.00 175.29 175.80 1r9t s VAL 12 N 0.88 4.72 -0.02 1.34 1.01 -0.27 0.10 120.40 128.17 1r9t s VAL 12 Ca -0.11 1.81 -0.03 0.00 0.00 0.00 0.00 61.98 63.65 1r9t s VAL 12 Cb -0.14 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 1r9t s VAL 12 CO 0.00 -0.17 0.30 0.77 0.00 0.00 0.00 175.10 175.99 1r9t h SER 13 N 7.61 -0.10 -3.36 3.32 4.64 -1.83 0.23 113.55 124.06 1r9t h SER 13 Ca -0.21 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.55 1r9t h SER 13 Cb 1.07 0.03 -0.34 0.00 -0.31 0.00 0.00 62.40 62.85 1r9t h SER 13 CO 0.94 0.06 -0.83 -1.61 -0.87 0.00 0.00 176.83 174.52 1r9t s GLU 14 N -1.90 2.14 -0.40 4.77 2.02 -1.04 -4.64 118.70 119.65 1r9t s GLU 14 Ca -0.02 -0.56 -0.10 0.00 0.02 0.00 0.00 54.97 54.32 1r9t s GLU 14 Cb 0.00 -1.74 0.06 0.00 0.10 0.00 0.00 34.13 32.55 1r9t s GLU 14 CO 0.05 0.03 0.23 0.54 0.02 0.00 0.00 175.26 176.14 1r9t s VAL 15 N 0.69 4.32 -0.60 2.63 0.11 -1.26 -1.91 120.40 124.38 1r9t s VAL 15 Ca -0.13 -1.21 -0.02 0.00 -2.93 0.00 0.00 61.98 57.69 1r9t s VAL 15 Cb -0.16 -3.56 0.15 0.00 -1.53 0.00 0.00 36.38 31.29 1r9t s VAL 15 CO 0.03 -0.40 0.41 -0.62 -3.33 0.00 0.00 175.10 171.19 1r9t s ASP 16 N 1.90 5.19 -1.02 3.54 2.15 1.91 -4.93 116.67 125.41 1r9t s ASP 16 Ca 0.02 -2.78 -0.24 0.00 0.43 0.00 0.00 52.55 49.98 1r9t s ASP 16 Cb -0.22 -1.84 -0.08 0.00 -0.30 0.00 0.00 42.92 40.48 1r9t s ASP 16 CO 0.04 -0.38 1.99 -2.16 -0.17 0.00 0.00 175.17 174.48 1r9t s PRO 17 N 0.04 2.36 0.00 4.34 0.04 -1.26 -4.19 135.00 136.33 1r9t s PRO 17 Ca 0.16 -0.61 -0.04 0.00 0.04 0.00 0.00 61.00 60.55 1r9t s PRO 17 Cb -0.21 -5.11 -0.20 0.00 0.04 0.00 0.00 34.50 29.02 1r9t s PRO 17 CO -0.03 -3.86 3.02 0.41 0.04 0.00 0.00 177.00 176.58 1r9t n GLY 18 N 6.37 2.68 1.90 0.56 0.00 -1.26 -4.30 105.19 111.14 1r9t n GLY 18 Ca 0.43 -0.90 -0.00 0.00 0.00 0.00 0.00 46.02 45.54 1r9t n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r9t n ARG 19 N 2.41 -1.12 0.00 1.61 5.12 -1.26 -5.10 116.66 118.32 1r9t n ARG 19 Ca 0.32 1.24 0.00 0.00 -1.93 0.00 0.00 57.85 57.48 1r9t n ARG 19 Cb 0.75 -2.47 0.00 0.00 -1.16 0.00 0.00 32.46 29.59 1r9t n ARG 19 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1r9t n TYR 20 N 0.18 0.00 -0.84 -1.55 0.53 -1.26 -5.04 117.16 109.19 1r9t n TYR 20 Ca 0.00 0.00 0.06 0.00 -1.02 0.00 0.00 57.90 56.94 1r9t n TYR 20 Cb 0.01 0.00 0.38 0.00 -1.03 0.00 0.00 39.34 38.71 1r9t n TYR 20 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1r9t n ASN 21 N 0.00 5.52 -1.68 7.72 3.02 -1.26 -3.84 115.26 124.73 1r9t n ASN 21 Ca 0.00 -2.92 0.02 0.00 -0.03 0.00 0.00 54.58 51.65 1r9t n ASN 21 Cb 0.00 -0.69 0.06 0.00 -0.61 0.00 0.00 39.78 38.54 1r9t n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1r9t n LYS 22 N 0.55 0.88 0.00 3.52 5.02 -1.26 -4.83 118.16 122.04 1r9t n LYS 22 Ca 0.28 -2.69 0.00 0.00 -2.02 0.00 0.00 58.31 53.88 1r9t n LYS 22 Cb 1.18 -0.77 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 1r9t n LYS 22 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1r9t n VAL 23 N -0.09 0.00 -3.72 -0.18 0.31 -1.25 -3.83 118.33 109.57 1r9t n VAL 23 Ca 0.11 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.26 1r9t n VAL 23 Cb 0.99 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.74 1r9t n VAL 23 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r9t s ARG 25 N 1.70 3.71 -0.04 0.00 1.70 -1.24 0.79 118.95 125.56 1r9t s ARG 25 Ca -0.01 0.11 0.03 0.00 -0.47 0.00 0.00 55.73 55.39 1r9t s ARG 25 Cb -0.12 -3.06 0.00 0.00 -0.57 0.00 0.00 34.95 31.20 1r9t s ARG 25 CO -0.03 0.61 -0.13 0.42 -1.08 0.00 0.00 175.30 175.10 1r9t s ILE 26 N -1.31 1.10 -0.26 4.99 1.09 0.58 0.51 121.20 127.89 1r9t s ILE 26 Ca 0.29 -0.52 0.03 0.00 -1.10 0.00 0.00 60.65 59.35 1r9t s ILE 26 Cb -0.14 -0.97 0.06 0.00 -1.06 0.00 0.00 42.46 40.36 1r9t s ILE 26 CO 0.16 0.33 -0.09 -1.61 -0.10 0.00 0.00 174.94 173.63 1r9t s GLU 27 N 0.23 2.11 0.03 2.79 8.01 -0.80 -1.86 118.70 129.20 1r9t s GLU 27 Ca -0.06 -1.33 0.01 0.00 0.01 0.00 0.00 54.97 53.61 1r9t s GLU 27 Cb -0.11 -2.86 -0.02 0.00 -4.31 0.00 0.00 34.13 26.82 1r9t s GLU 27 CO 0.02 -0.60 -0.05 0.00 0.01 0.00 0.00 175.26 174.64 1r9t s ALA 28 N 1.13 0.36 0.12 5.21 0.00 -0.73 -2.50 121.76 125.34 1r9t s ALA 28 Ca -0.07 -0.65 0.07 0.00 0.00 0.00 0.00 51.96 51.31 1r9t s ALA 28 Cb -0.20 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 1r9t s ALA 28 CO -0.05 -0.07 -0.07 0.00 0.00 0.00 0.00 175.76 175.56 1r9t s ALA 29 N -1.33 3.05 -0.40 0.00 0.00 0.29 -3.24 121.76 120.13 1r9t s ALA 29 Ca -0.12 -1.27 -0.29 0.00 0.00 0.00 0.00 51.96 50.28 1r9t s ALA 29 Cb -0.09 -0.94 -0.08 0.00 0.00 0.00 0.00 23.12 22.00 1r9t s ALA 29 CO -0.00 0.61 2.32 0.45 0.00 0.00 0.00 175.76 179.14 1r9t n SER 30 N 0.46 2.46 -3.81 0.00 2.88 -1.17 0.84 113.62 115.29 1r9t n SER 30 Ca -0.12 -0.01 -0.30 0.00 -1.33 0.00 0.00 58.87 57.11 1r9t n SER 30 Cb 0.53 -1.46 0.23 0.00 -0.75 0.00 0.00 64.21 62.76 1r9t n SER 30 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1r9t s THR 31 N 9.56 1.77 0.00 2.46 2.01 -0.82 -4.25 115.64 126.37 1r9t s THR 31 Ca 1.04 0.00 0.00 0.00 0.31 0.00 0.00 61.69 63.04 1r9t s THR 31 Cb -0.46 -2.76 0.00 0.00 0.01 0.00 0.00 72.50 69.29 1r9t s THR 31 CO 0.36 0.00 0.00 0.41 -0.69 0.00 0.00 174.62 174.70 1r9t n THR 32 N -4.33 0.00 -2.20 -0.82 -1.04 -1.26 -4.82 114.28 99.81 1r9t n THR 32 Ca 0.16 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.75 1r9t n THR 32 Cb 0.59 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.08 1r9t n THR 32 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1r9t s GLN 33 N 0.00 3.35 0.00 -2.82 -0.21 -1.26 -4.93 119.66 113.79 1r9t s GLN 33 Ca 0.00 1.00 0.05 0.00 0.02 0.00 0.00 55.36 56.42 1r9t s GLN 33 Cb 0.00 -4.14 0.27 0.00 1.00 0.00 0.00 33.01 30.14 1r9t s GLN 33 CO 0.00 -1.84 0.78 -0.25 -2.12 0.00 0.00 175.29 171.85 1r9t n ASP 34 N 9.84 0.00 -1.85 5.90 8.00 -1.26 -1.35 116.55 135.84 1r9t n ASP 34 Ca 0.18 -0.94 0.03 0.00 0.71 0.00 0.00 54.79 54.77 1r9t n ASP 34 Cb 0.48 0.00 0.37 0.00 -0.02 0.00 0.00 41.12 41.95 1r9t n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r9t n GLN 35 N -0.63 4.41 -3.75 -1.24 10.64 -1.26 -5.01 117.38 120.53 1r9t n GLN 35 Ca 0.03 -3.13 -0.13 0.00 -1.83 0.00 0.00 57.00 51.95 1r9t n GLN 35 Cb 0.02 -2.22 -0.11 0.00 -0.86 0.00 0.00 30.24 27.06 1r9t n GLN 35 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1r9t n LYS 37 N 3.23 0.61 -3.64 0.00 2.85 -1.11 -3.05 118.16 117.04 1r9t n LYS 37 Ca -0.16 -1.96 -0.02 0.00 -1.05 0.00 0.00 58.31 55.12 1r9t n LYS 37 Cb 0.57 2.01 -0.07 0.00 -0.65 0.00 0.00 35.03 36.90 1r9t n LYS 37 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1r9t s LEU 38 N 0.00 -0.47 -0.20 -5.58 2.96 -1.20 -0.00 118.68 114.19 1r9t s LEU 38 Ca 0.19 0.75 0.00 0.00 -0.22 0.00 0.00 54.13 54.85 1r9t s LEU 38 Cb -0.01 1.69 0.02 0.00 0.50 0.00 0.00 46.19 48.38 1r9t s LEU 38 CO 0.14 -0.12 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.00 1r9t s THR 39 N 1.28 2.32 -0.10 3.68 2.01 -1.03 -1.78 115.64 122.02 1r9t s THR 39 Ca -0.09 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 60.99 1r9t s THR 39 Cb -0.04 -2.04 0.02 0.00 0.01 0.00 0.00 72.50 70.45 1r9t s THR 39 CO -0.14 0.45 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.89 1r9t s LEU 40 N 1.30 1.59 0.17 4.42 2.96 -0.78 -0.91 118.68 127.43 1r9t s LEU 40 Ca 0.04 -0.37 -0.21 0.00 -0.22 0.00 0.00 54.13 53.37 1r9t s LEU 40 Cb -0.14 -0.96 -0.08 0.00 0.50 0.00 0.00 46.19 45.51 1r9t s LEU 40 CO -0.10 -0.01 0.70 -1.81 -1.32 0.00 0.00 176.35 173.80 1r9t s ASP 41 N 1.06 7.14 -0.30 3.68 1.01 -0.84 -0.31 116.67 128.12 1r9t s ASP 41 Ca -0.06 1.43 -0.05 0.00 0.71 0.00 0.00 52.55 54.57 1r9t s ASP 41 Cb -0.15 -2.42 0.19 0.00 1.01 0.00 0.00 42.92 41.55 1r9t s ASP 41 CO -0.02 0.14 0.84 -0.63 0.21 0.00 0.00 175.17 175.71 1r9t s ILE 42 N -1.33 -0.62 0.00 0.77 -1.09 0.24 -4.74 121.20 114.42 1r9t s ILE 42 Ca 0.38 0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.80 1r9t s ILE 42 Cb -0.19 -0.81 0.00 0.00 -1.58 0.00 0.00 42.46 39.88 1r9t s ILE 42 CO 0.22 0.00 0.00 -3.20 -1.23 0.00 0.00 174.94 170.73 1r9t n ASN 43 N 5.36 0.00 -1.18 3.58 2.85 -1.25 -3.53 115.26 121.09 1r9t n ASN 43 Ca 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1r9t n ASN 43 Cb 0.54 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.56 1r9t n ASN 43 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1r9t n VAL 44 N 0.00 1.26 0.00 3.44 0.31 -1.25 -1.68 118.33 120.41 1r9t n VAL 44 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1r9t n VAL 44 Cb 0.00 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 1r9t n VAL 44 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1r9t n GLU 45 N 0.86 0.00 0.17 5.55 2.13 -1.26 -4.37 120.64 123.72 1r9t n GLU 45 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 1r9t n GLU 45 Cb 0.47 -0.79 0.45 0.00 0.27 0.00 0.00 31.44 31.85 1r9t n GLU 45 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1r9t h LEU 46 N 0.00 0.00 -5.00 4.31 3.38 -1.71 -3.41 115.31 112.88 1r9t h LEU 46 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1r9t h LEU 46 Cb 0.75 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.36 1r9t h LEU 46 CO 0.00 0.00 -0.21 0.33 0.09 0.00 0.00 178.44 178.65 1r9t n PHE 47 N -2.59 -1.56 -0.99 1.13 7.35 -1.15 -5.00 117.46 114.66 1r9t n PHE 47 Ca 0.03 -1.01 -0.38 0.00 -0.76 0.00 0.00 57.45 55.33 1r9t n PHE 47 Cb 0.36 1.25 0.04 0.00 0.35 0.00 0.00 39.48 41.47 1r9t n PHE 47 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1r9t n PRO 48 N 1.86 -0.05 -3.59 -7.13 -0.02 -1.26 -4.69 135.00 120.13 1r9t n PRO 48 Ca 0.07 -0.01 -0.04 0.00 -2.02 0.00 0.00 63.50 61.49 1r9t n PRO 48 Cb 0.66 -1.02 -0.02 0.00 -0.02 0.00 0.00 33.50 33.10 1r9t n PRO 48 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1r9t s VAL 49 N -2.01 0.00 0.00 -1.45 1.01 -1.26 -5.04 120.40 111.65 1r9t s VAL 49 Ca 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1r9t s VAL 49 Cb 0.04 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1r9t s VAL 49 CO 0.70 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.80 1r9t n ALA 50 N -0.19 0.00 -0.67 5.51 0.00 -1.26 -5.13 120.51 118.77 1r9t n ALA 50 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.15 1r9t n ALA 50 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 1r9t n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r9t n ALA 51 N -3.00 -1.71 -3.63 0.00 0.00 -1.26 -3.59 120.51 107.32 1r9t n ALA 51 Ca 0.00 0.26 -0.24 0.00 0.00 0.00 0.00 53.44 53.45 1r9t n ALA 51 Cb 0.00 -0.78 0.01 0.00 0.00 0.00 0.00 19.45 18.68 1r9t n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1r9t n GLN 52 N 0.80 -1.63 -4.60 0.00 1.13 0.75 -4.83 117.38 109.00 1r9t n GLN 52 Ca 0.09 1.01 -0.26 0.00 -1.94 0.00 0.00 57.00 55.90 1r9t n GLN 52 Cb 0.03 -2.70 -0.14 0.00 0.11 0.00 0.00 30.24 27.54 1r9t n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1r9t s ASP 53 N -2.68 2.69 -0.08 1.08 1.01 -0.92 -5.00 116.67 112.78 1r9t s ASP 53 Ca 0.08 -0.59 0.02 0.00 0.71 0.00 0.00 52.55 52.78 1r9t s ASP 53 Cb -0.01 -0.21 -0.02 0.00 1.01 0.00 0.00 42.92 43.69 1r9t s ASP 53 CO 0.87 0.16 -0.14 -0.94 0.21 0.00 0.00 175.17 175.34 1r9t s SER 54 N -1.41 4.01 0.07 0.27 1.04 -1.26 -1.11 113.70 115.32 1r9t s SER 54 Ca 0.09 -0.25 -0.14 0.00 0.48 0.00 0.00 55.95 56.13 1r9t s SER 54 Cb -0.09 -1.15 0.02 0.00 0.10 0.00 0.00 66.02 64.90 1r9t s SER 54 CO 0.03 0.27 0.32 -0.76 0.98 0.00 0.00 173.24 174.08 1r9t s LEU 55 N -0.30 0.78 0.29 2.42 1.43 0.22 -4.90 118.68 118.63 1r9t s LEU 55 Ca 0.02 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.89 1r9t s LEU 55 Cb -0.13 1.48 -0.06 0.00 0.03 0.00 0.00 46.19 47.52 1r9t s LEU 55 CO 0.03 -0.71 -0.00 -0.89 0.23 0.00 0.00 176.35 175.00 1r9t s THR 56 N -3.13 1.39 -0.17 5.49 2.01 -1.24 0.31 115.64 120.29 1r9t s THR 56 Ca -0.01 -2.06 -0.29 0.00 0.31 0.00 0.00 61.69 59.65 1r9t s THR 56 Cb 0.01 -2.57 0.11 0.00 0.01 0.00 0.00 72.50 70.05 1r9t s THR 56 CO -0.07 -0.19 0.91 -0.69 -0.69 0.00 0.00 174.62 173.89 1r9t s VAL 57 N -3.17 0.00 0.24 3.82 1.01 0.12 -1.55 120.40 120.87 1r9t s VAL 57 Ca 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 1r9t s VAL 57 Cb 0.06 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1r9t s VAL 57 CO 0.13 0.00 0.28 -0.89 0.00 0.00 0.00 175.10 174.62 1r9t s THR 58 N -0.68 0.00 0.01 3.92 2.01 -0.97 -1.58 115.64 118.35 1r9t s THR 58 Ca -0.03 -1.78 -0.05 0.00 0.31 0.00 0.00 61.69 60.14 1r9t s THR 58 Cb -0.02 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 1r9t s THR 58 CO 0.02 0.00 -0.10 -0.38 -0.69 0.00 0.00 174.62 173.47 1r9t n ILE 59 N -0.35 1.24 0.00 1.82 2.08 -0.63 -2.89 119.36 120.62 1r9t n ILE 59 Ca 0.01 0.32 0.00 0.00 0.56 0.00 0.00 62.75 63.64 1r9t n ILE 59 Cb 0.64 -1.78 0.00 0.00 -0.75 0.00 0.00 39.64 37.75 1r9t n ILE 59 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1r9t n ALA 60 N -3.71 0.00 -2.32 -1.39 0.00 -1.26 -3.39 120.51 108.43 1r9t n ALA 60 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.35 1r9t n ALA 60 Cb 0.15 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.62 1r9t n ALA 60 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1r9t n SER 61 N -2.06 -1.22 0.00 0.00 7.64 -1.25 -1.53 113.62 115.20 1r9t n SER 61 Ca 0.00 -2.10 0.00 0.00 1.01 0.00 0.00 58.87 57.78 1r9t n SER 61 Cb 0.00 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1r9t n SER 61 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1r9t n SER 62 N -0.74 0.00 -2.77 6.43 3.41 -1.26 -4.89 113.62 113.80 1r9t n SER 62 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 1r9t n SER 62 Cb 0.78 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 1r9t n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1r9t n LEU 63 N 0.00 0.00 0.00 1.04 4.77 -1.26 -5.01 117.00 116.54 1r9t n LEU 63 Ca 0.00 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1r9t n LEU 63 Cb 0.00 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1r9t n LEU 63 CO 0.00 -0.47 0.00 0.41 -1.33 0.00 0.00 177.39 176.00 1r9t n THR 76 N 2.61 0.00 0.00 -5.08 -1.04 -1.26 -4.28 114.28 105.23 1r9t n THR 76 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1r9t n THR 76 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1r9t n THR 76 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1r9t n ARG 77 N 0.00 0.00 -0.88 -2.82 3.00 -1.26 -4.49 116.66 110.21 1r9t n ARG 77 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.85 57.53 1r9t n ARG 77 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.49 1r9t n ARG 77 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1r9t n SER 78 N 0.00 -4.97 -4.55 0.55 3.41 -1.26 -4.77 113.62 102.04 1r9t n SER 78 Ca 0.00 0.20 -0.43 0.00 -0.26 0.00 0.00 58.87 58.38 1r9t n SER 78 Cb 0.00 -0.66 -0.06 0.00 -0.26 0.00 0.00 64.21 63.23 1r9t n SER 78 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1r9t s TRP 79 N -1.72 3.05 0.00 7.33 -0.00 -1.26 -4.98 118.94 121.36 1r9t s TRP 79 Ca 0.36 0.20 0.00 0.00 -0.00 0.00 0.00 56.10 56.66 1r9t s TRP 79 Cb -0.19 -3.48 0.00 0.00 -0.00 0.00 0.00 33.47 29.81 1r9t s TRP 79 CO 0.70 -0.87 0.00 0.54 -0.00 0.00 0.00 176.95 177.32 1r9t n ARG 80 N 6.47 2.96 0.00 5.86 5.12 -1.26 -5.10 116.66 130.71 1r9t n ARG 80 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1r9t n ARG 80 Cb 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.78 1r9t n ARG 80 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1r9t n PRO 81 N 0.00 0.00 0.00 5.56 -0.05 -1.26 -5.18 135.00 134.07 1r9t n PRO 81 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 1r9t n PRO 81 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.45 1r9t n PRO 81 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 175.50 173.15 1r9t n PRO 82 N 0.00 2.16 -0.20 0.54 -0.02 -1.26 -4.77 135.00 131.45 1r9t n PRO 82 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1r9t n PRO 82 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1r9t n PRO 82 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1r9t n GLN 83 N 0.00 0.00 0.00 -0.52 6.02 -1.26 -4.97 117.38 116.64 1r9t n GLN 83 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1r9t n GLN 83 Cb 0.00 -0.75 0.00 0.00 1.02 0.00 0.00 30.24 30.51 1r9t n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1r9t n ALA 84 N -1.40 0.55 0.72 -1.58 0.00 -1.26 -3.17 120.51 114.37 1r9t n ALA 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1r9t n ALA 84 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1r9t n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r9t n GLY 85 N 0.56 1.16 2.34 0.00 0.00 -1.26 -0.57 105.19 107.42 1r9t n GLY 85 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1r9t n GLY 85 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1r9t n ASP 86 N 0.25 0.46 -3.86 1.61 -0.08 -1.19 -5.21 116.55 108.53 1r9t n ASP 86 Ca 0.00 -3.03 -0.07 0.00 -1.51 0.00 0.00 54.79 50.18 1r9t n ASP 86 Cb 0.22 -0.25 -0.02 0.00 2.34 0.00 0.00 41.12 43.41 1r9t n ASP 86 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1r9t s ARG 87 N -2.13 1.78 0.48 -0.67 0.52 0.26 -4.94 118.95 114.25 1r9t s ARG 87 Ca 0.35 -0.99 -0.21 0.00 -0.52 0.00 0.00 55.73 54.37 1r9t s ARG 87 Cb 0.36 0.61 -0.12 0.00 0.52 0.00 0.00 34.95 36.32 1r9t s ARG 87 CO -0.06 -0.82 0.47 -1.13 0.02 0.00 0.00 175.30 173.79 1r9t n SER 88 N -0.46 -1.20 0.00 0.23 3.41 -1.26 -5.07 113.62 109.27 1r9t n SER 88 Ca -0.04 0.83 0.00 0.00 -0.26 0.00 0.00 58.87 59.40 1r9t n SER 88 Cb 0.59 -1.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1r9t n SER 88 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1r9t n LEU 89 N 1.15 0.00 0.00 1.04 4.32 -1.26 -4.94 117.00 117.32 1r9t n LEU 89 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 1r9t n LEU 89 Cb 0.43 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 1r9t n LEU 89 CO 0.53 0.00 0.18 0.00 -1.22 0.00 0.00 177.39 176.89 1r9t n ALA 90 N 0.00 0.00 0.00 -1.18 0.00 -1.26 -4.17 120.51 113.90 1r9t n ALA 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1r9t n ALA 90 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1r9t n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1r9t n ASP 91 N -0.60 0.00 -0.43 0.00 5.75 -1.26 -3.89 116.55 116.13 1r9t n ASP 91 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.86 1r9t n ASP 91 Cb 0.18 0.00 0.30 0.00 -1.03 0.00 0.00 41.12 40.57 1r9t n ASP 91 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1r9t n ASP 92 N 0.94 1.26 -4.84 -1.12 8.00 -1.26 -4.92 116.55 114.61 1r9t n ASP 92 Ca 0.00 -1.78 -0.35 0.00 0.71 0.00 0.00 54.79 53.38 1r9t n ASP 92 Cb 0.00 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 40.93 1r9t n ASP 92 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1r9t s TYR 93 N -1.77 3.57 0.00 1.24 4.12 -1.25 -4.97 117.35 118.29 1r9t s TYR 93 Ca 0.25 1.11 0.00 0.00 0.02 0.00 0.00 57.07 58.45 1r9t s TYR 93 Cb 0.13 -2.41 0.00 0.00 -1.52 0.00 0.00 41.96 38.16 1r9t s TYR 93 CO 0.19 0.37 0.29 -0.25 0.02 0.00 0.00 175.55 176.18 1r9t n ASP 94 N 0.58 0.00 -4.85 2.29 8.00 -0.21 -4.96 116.55 117.41 1r9t n ASP 94 Ca -0.03 0.47 -0.34 0.00 0.71 0.00 0.00 54.79 55.59 1r9t n ASP 94 Cb 0.52 -0.28 -0.06 0.00 -0.02 0.00 0.00 41.12 41.28 1r9t n ASP 94 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1r9t s TYR 95 N -1.15 3.53 -0.12 1.24 6.04 -1.01 -4.83 117.35 121.05 1r9t s TYR 95 Ca 0.00 1.10 -0.06 0.00 0.04 0.00 0.00 57.07 58.14 1r9t s TYR 95 Cb 0.00 -2.41 0.05 0.00 -1.04 0.00 0.00 41.96 38.56 1r9t s TYR 95 CO 0.00 0.32 0.28 0.08 -1.54 0.00 0.00 175.55 174.70 1r9t s VAL 96 N -1.64 -0.04 0.42 3.14 1.01 -1.26 0.11 120.40 122.14 1r9t s VAL 96 Ca 0.43 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.59 1r9t s VAL 96 Cb -0.14 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 1r9t s VAL 96 CO 0.20 0.05 0.15 -0.04 0.00 0.00 0.00 175.10 175.46 1r9t s MET 97 N 1.28 1.97 -0.08 2.72 1.00 0.57 -4.90 119.30 121.86 1r9t s MET 97 Ca -0.09 -2.21 0.01 0.00 0.00 0.00 0.00 55.69 53.39 1r9t s MET 97 Cb -0.10 -0.55 0.02 0.00 0.00 0.00 0.00 34.83 34.20 1r9t s MET 97 CO -0.09 -0.52 -0.07 -0.47 0.00 0.00 0.00 175.02 173.86 1r9t s TYR 98 N -3.19 1.23 0.35 -0.03 5.04 -1.26 -0.74 117.35 118.75 1r9t s TYR 98 Ca 0.23 -0.51 0.04 0.00 -2.44 0.00 0.00 57.07 54.39 1r9t s TYR 98 Cb 0.02 -1.02 -0.02 0.00 0.35 0.00 0.00 41.96 41.29 1r9t s TYR 98 CO 0.15 -0.36 0.52 0.20 -1.34 0.00 0.00 175.55 174.72 1r9t s GLY 99 N 1.28 1.47 0.05 8.97 0.00 -0.72 -4.53 107.32 113.84 1r9t s GLY 99 Ca -0.04 -1.22 0.02 0.00 0.00 0.00 0.00 44.72 43.48 1r9t s GLY 99 CO -0.03 -1.13 0.08 -1.59 0.00 0.00 0.00 173.10 170.43 1r9t s THR 100 N -2.26 4.58 0.10 0.90 2.01 -0.81 -4.05 115.64 116.12 1r9t s THR 100 Ca 0.43 -0.64 0.09 0.00 0.31 0.00 0.00 61.69 61.88 1r9t s THR 100 Cb -0.10 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1r9t s THR 100 CO 0.33 0.21 -0.20 0.00 -0.69 0.00 0.00 174.62 174.27 1r9t s ALA 101 N -1.31 2.59 0.00 7.40 0.00 -1.26 -0.79 121.76 128.39 1r9t s ALA 101 Ca 0.27 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1r9t s ALA 101 Cb -0.12 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.39 1r9t s ALA 101 CO 0.19 0.58 0.00 2.48 0.00 0.00 0.00 175.76 179.01 1r9t n TYR 102 N 1.00 0.00 -4.06 0.00 0.18 0.48 -4.63 117.16 110.13 1r9t n TYR 102 Ca -0.16 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.47 1r9t n TYR 102 Cb 0.53 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.34 1r9t n TYR 102 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1r9t s LYS 103 N -0.84 0.32 -0.44 -3.48 1.02 -1.18 -5.00 119.74 110.15 1r9t s LYS 103 Ca 0.00 -0.11 -0.07 0.00 0.02 0.00 0.00 55.97 55.81 1r9t s LYS 103 Cb 0.00 -0.34 0.11 0.00 -0.52 0.00 0.00 37.83 37.08 1r9t s LYS 103 CO 0.00 0.05 0.29 -0.06 -0.92 0.00 0.00 175.35 174.71 1r9t s PHE 104 N 0.08 3.46 -0.15 3.18 0.40 -1.26 0.50 117.98 124.20 1r9t s PHE 104 Ca -0.00 -1.99 -0.04 0.00 -0.60 0.00 0.00 56.93 54.29 1r9t s PHE 104 Cb -0.03 -3.34 -0.03 0.00 0.51 0.00 0.00 43.02 40.12 1r9t s PHE 104 CO -0.00 -0.97 -0.00 -2.00 0.70 0.00 0.00 175.22 172.94 1r9t s GLU 105 N 1.30 3.59 -0.67 0.44 2.12 -0.39 -4.99 118.70 120.10 1r9t s GLU 105 Ca 0.06 -0.45 -0.25 0.00 0.36 0.00 0.00 54.97 54.69 1r9t s GLU 105 Cb -0.25 -2.96 0.05 0.00 0.26 0.00 0.00 34.13 31.23 1r9t s GLU 105 CO -0.01 0.36 1.09 -1.21 -0.54 0.00 0.00 175.26 174.94 1r9t s GLU 106 N 0.07 3.19 0.24 4.30 2.02 -1.26 -0.65 118.70 126.59 1r9t s GLU 106 Ca 0.02 -0.49 0.20 0.00 0.02 0.00 0.00 54.97 54.72 1r9t s GLU 106 Cb -0.13 -4.18 0.94 0.00 0.10 0.00 0.00 34.13 30.86 1r9t s GLU 106 CO 0.02 -1.89 1.62 0.28 0.02 0.00 0.00 175.26 175.32 1r9t n VAL 107 N 6.16 0.99 0.00 2.63 0.31 -0.83 -4.92 118.33 122.67 1r9t n VAL 107 Ca -0.00 0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 1r9t n VAL 107 Cb 0.47 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 1r9t n VAL 107 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1r9t n SER 108 N -2.12 0.00 0.00 4.52 3.41 -1.19 -5.00 113.62 113.24 1r9t n SER 108 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1r9t n SER 108 Cb 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1r9t n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1r9t n LYS 109 N 1.84 0.00 0.00 4.33 5.02 -1.26 -3.16 118.16 124.93 1r9t n LYS 109 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1r9t n LYS 109 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1r9t n LYS 109 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1r9t n ASP 110 N 0.00 0.00 -3.97 4.39 3.85 -1.26 -4.92 116.55 114.64 1r9t n ASP 110 Ca 0.00 0.00 -0.29 0.00 -0.71 0.00 0.00 54.79 53.79 1r9t n ASP 110 Cb 0.00 0.00 -0.17 0.00 -1.35 0.00 0.00 41.12 39.60 1r9t n ASP 110 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1r9t s LEU 111 N 0.00 1.62 -0.05 -2.12 1.43 -1.19 -4.51 118.68 113.86 1r9t s LEU 111 Ca 0.00 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 1r9t s LEU 111 Cb 0.00 -1.06 0.01 0.00 0.03 0.00 0.00 46.19 45.16 1r9t s LEU 111 CO 0.00 -0.10 -0.13 -0.63 0.23 0.00 0.00 176.35 175.72 1r9t s ILE 112 N 1.55 1.15 0.19 -0.59 1.01 -1.09 -1.96 121.20 121.46 1r9t s ILE 112 Ca 0.04 -0.53 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 1r9t s ILE 112 Cb -0.13 -1.02 -0.07 0.00 0.01 0.00 0.00 42.46 41.25 1r9t s ILE 112 CO -0.09 0.35 0.51 0.00 0.00 0.00 0.00 174.94 175.70 1r9t s ALA 113 N 0.36 3.62 0.23 9.38 0.00 0.17 -0.41 121.76 135.12 1r9t s ALA 113 Ca -0.09 -0.31 0.11 0.00 0.00 0.00 0.00 51.96 51.68 1r9t s ALA 113 Cb -0.13 -2.38 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 1r9t s ALA 113 CO 0.03 0.53 -0.21 0.14 0.00 0.00 0.00 175.76 176.25 1r9t s VAL 114 N -1.69 2.48 -0.29 0.00 -7.23 4.57 -1.26 120.40 116.97 1r9t s VAL 114 Ca 0.43 -2.17 -0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1r9t s VAL 114 Cb -0.12 -2.24 0.09 0.00 0.56 0.00 0.00 36.38 34.67 1r9t s VAL 114 CO 0.21 -0.24 0.10 -0.31 -0.31 0.00 0.00 175.10 174.54 1r9t s TYR 115 N -2.05 1.29 -0.09 2.82 4.12 0.18 0.80 117.35 124.42 1r9t s TYR 115 Ca 0.25 -1.42 -0.00 0.00 0.02 0.00 0.00 57.07 55.92 1r9t s TYR 115 Cb -0.07 -1.43 -0.03 0.00 -1.52 0.00 0.00 41.96 38.92 1r9t s TYR 115 CO 0.13 -0.83 -0.06 0.71 0.02 0.00 0.00 175.55 175.51 1r9t s TYR 116 N 1.76 2.95 -0.29 2.71 4.12 0.14 0.18 117.35 128.93 1r9t s TYR 116 Ca 0.08 -0.08 -0.03 0.00 0.02 0.00 0.00 57.07 57.06 1r9t s TYR 116 Cb -0.17 -1.77 0.03 0.00 -1.52 0.00 0.00 41.96 38.53 1r9t s TYR 116 CO -0.26 0.23 0.01 0.45 0.02 0.00 0.00 175.55 176.00 1r9t s SER 117 N -0.50 4.81 -1.16 2.29 0.15 0.03 0.13 113.70 119.45 1r9t s SER 117 Ca 0.07 -1.02 -0.11 0.00 0.70 0.00 0.00 55.95 55.60 1r9t s SER 117 Cb -0.12 -1.75 0.24 0.00 -1.71 0.00 0.00 66.02 62.68 1r9t s SER 117 CO 0.02 -0.21 1.26 0.49 1.20 0.00 0.00 173.24 176.00 1r9t n PHE 118 N 4.71 5.10 -2.58 3.44 3.01 -0.49 -1.92 117.46 128.73 1r9t n PHE 118 Ca -0.14 -3.67 -0.13 0.00 1.01 0.00 0.00 57.45 54.52 1r9t n PHE 118 Cb 0.46 -1.90 0.01 0.00 -0.01 0.00 0.00 39.48 38.04 1r9t n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1r9t n GLY 119 N 3.21 -0.26 2.31 1.37 0.00 -1.26 0.20 105.19 110.76 1r9t n GLY 119 Ca 0.29 0.36 -0.01 0.00 0.00 0.00 0.00 46.02 46.66 1r9t n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r9t n GLY 120 N -0.56 0.08 3.73 -0.02 0.00 -1.26 -4.92 105.19 102.24 1r9t n GLY 120 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1r9t n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r9t s LEU 121 N -0.31 4.44 0.15 0.99 1.43 0.53 -5.02 118.68 120.89 1r9t s LEU 121 Ca 0.00 2.21 -0.01 0.00 -1.03 0.00 0.00 54.13 55.30 1r9t s LEU 121 Cb 0.00 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 1r9t s LEU 121 CO 0.00 -0.39 0.34 -0.76 0.23 0.00 0.00 176.35 175.76 1r9t s LEU 122 N -0.04 4.28 -0.12 1.79 1.43 -1.26 -1.40 118.68 123.36 1r9t s LEU 122 Ca 0.54 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 54.04 1r9t s LEU 122 Cb -0.32 -3.12 0.01 0.00 0.03 0.00 0.00 46.19 42.79 1r9t s LEU 122 CO 0.35 0.03 -0.18 -0.32 0.23 0.00 0.00 176.35 176.47 1r9t s MET 123 N -3.01 2.50 -0.42 1.70 -2.45 0.34 -1.98 119.30 115.99 1r9t s MET 123 Ca 0.38 -0.66 -0.01 0.00 -1.25 0.00 0.00 55.69 54.14 1r9t s MET 123 Cb -0.12 -2.07 0.11 0.00 1.25 0.00 0.00 34.83 34.00 1r9t s MET 123 CO 0.28 -0.04 0.19 0.50 1.05 0.00 0.00 175.02 177.00 1r9t s ARG 124 N 0.90 1.93 -0.11 4.11 3.52 -0.09 -0.68 118.95 128.53 1r9t s ARG 124 Ca -0.07 -1.92 0.02 0.00 -0.13 0.00 0.00 55.73 53.63 1r9t s ARG 124 Cb -0.15 -3.51 -0.00 0.00 -1.56 0.00 0.00 34.95 29.73 1r9t s ARG 124 CO -0.01 -1.05 -0.20 -1.17 -0.81 0.00 0.00 175.30 172.05 1r9t s LEU 125 N 0.94 2.32 -0.01 -0.88 2.96 0.24 -2.65 118.68 121.59 1r9t s LEU 125 Ca 0.10 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1r9t s LEU 125 Cb -0.22 -1.48 0.00 0.00 0.50 0.00 0.00 46.19 44.99 1r9t s LEU 125 CO -0.05 0.16 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.41 1r9t s GLU 126 N 0.36 0.34 0.00 1.98 2.12 1.00 0.83 118.70 125.32 1r9t s GLU 126 Ca -0.16 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.06 1r9t s GLU 126 Cb -0.17 -0.35 0.00 0.00 0.26 0.00 0.00 34.13 33.87 1r9t s GLU 126 CO 0.07 0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.26 1r9t n GLY 127 N 3.15 -0.79 0.52 -1.50 0.00 0.45 -2.76 105.19 104.25 1r9t n GLY 127 Ca -0.15 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.64 1r9t n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1r9t n ASN 128 N 0.00 1.19 0.00 1.61 2.85 -1.26 -2.65 115.26 116.99 1r9t n ASN 128 Ca 0.00 -2.64 0.00 0.00 -0.11 0.00 0.00 54.58 51.83 1r9t n ASN 128 Cb 0.00 -0.34 0.00 0.00 1.24 0.00 0.00 39.78 40.68 1r9t n ASN 128 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1r9t n TYR 129 N -0.57 0.00 0.00 1.20 0.18 -1.26 -4.42 117.16 112.29 1r9t n TYR 129 Ca 0.09 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.87 1r9t n TYR 129 Cb 0.75 0.03 0.00 0.00 -0.38 0.00 0.00 39.34 39.74 1r9t n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1r9t n ARG 130 N -2.63 0.00 0.00 -3.48 1.74 -1.26 -3.82 116.66 107.21 1r9t n ARG 130 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1r9t n ARG 130 Cb 0.43 -0.11 0.00 0.00 -1.02 0.00 0.00 32.46 31.77 1r9t n ARG 130 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1r9t n ASN 131 N 0.32 0.00 -0.21 0.55 3.02 -1.26 -4.68 115.26 112.99 1r9t n ASN 131 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1r9t n ASN 131 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1r9t n ASN 131 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1r9t n LEU 132 N -1.24 0.06 0.00 3.41 4.77 -1.25 -3.95 117.00 118.80 1r9t n LEU 132 Ca 0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1r9t n LEU 132 Cb 0.00 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1r9t n LEU 132 CO 0.00 0.02 0.04 0.59 -1.33 0.00 0.00 177.39 176.70 1r9t n ASN 133 N -0.11 0.15 -2.99 -1.43 3.02 -1.26 -4.92 115.26 107.73 1r9t n ASN 133 Ca 0.00 -0.91 -0.08 0.00 -0.03 0.00 0.00 54.58 53.56 1r9t n ASN 133 Cb 0.02 0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 1r9t n ASN 133 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1r9t s ASN 134 N -0.02 -0.78 0.00 6.41 3.84 -1.25 -4.56 114.94 118.57 1r9t s ASN 134 Ca 0.00 -1.78 0.00 0.00 0.21 0.00 0.00 52.86 51.29 1r9t s ASN 134 Cb 0.00 1.42 0.00 0.00 -0.55 0.00 0.00 41.25 42.12 1r9t s ASN 134 CO 0.00 -0.11 0.00 0.18 -2.79 0.00 0.00 177.10 174.38 1r9t n LEU 135 N 3.29 0.00 -0.26 3.21 4.77 -1.26 -4.80 117.00 121.94 1r9t n LEU 135 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1r9t n LEU 135 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1r9t n LEU 135 CO 0.01 0.00 0.25 0.29 -1.33 0.00 0.00 177.39 176.61 1r9t n LYS 136 N 0.00 0.00 -4.48 3.23 5.02 -1.26 -5.06 118.16 115.61 1r9t n LYS 136 Ca 0.00 -0.74 -0.23 0.00 -2.02 0.00 0.00 58.31 55.31 1r9t n LYS 136 Cb 0.00 -0.49 -0.10 0.00 -0.02 0.00 0.00 35.03 34.42 1r9t n LYS 136 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1r9t s GLN 137 N 0.00 1.67 0.02 1.97 0.74 -1.26 -4.78 119.66 118.01 1r9t s GLN 137 Ca 0.00 -1.82 -0.04 0.00 0.05 0.00 0.00 55.36 53.54 1r9t s GLN 137 Cb 0.00 -1.51 -0.01 0.00 1.10 0.00 0.00 33.01 32.59 1r9t s GLN 137 CO 0.00 0.16 1.07 0.93 -0.55 0.00 0.00 175.29 176.90 1r9t h GLU 138 N 2.20 -0.02 -6.20 1.67 4.39 -1.87 -3.39 114.58 111.36 1r9t h GLU 138 Ca -0.41 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 58.68 1r9t h GLU 138 Cb 1.24 0.00 0.15 0.00 -0.10 0.00 0.00 28.75 30.04 1r9t h GLU 138 CO 0.66 -0.01 -0.57 0.09 -1.16 0.00 0.00 179.01 178.02 1r9t n ASN 139 N -3.21 -1.48 -3.15 1.42 3.02 -1.26 -3.98 115.26 106.61 1r9t n ASN 139 Ca -0.00 0.90 0.06 0.00 -0.03 0.00 0.00 54.58 55.51 1r9t n ASN 139 Cb 0.04 -1.03 -0.02 0.00 -0.61 0.00 0.00 39.78 38.16 1r9t n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r9t s ALA 140 N -1.49 -4.10 0.29 5.41 0.00 -1.26 -4.49 121.76 116.14 1r9t s ALA 140 Ca 0.62 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.86 1r9t s ALA 140 Cb -0.64 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1r9t s ALA 140 CO 0.59 -1.64 0.00 0.66 0.00 0.00 0.00 175.76 175.38 1r9t n TYR 141 N 5.41 -0.02 -3.59 0.00 4.02 -0.58 -1.76 117.16 120.63 1r9t n TYR 141 Ca -0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.71 1r9t n TYR 141 Cb 0.56 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.81 1r9t n TYR 141 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1r9t s LEU 142 N 0.00 -0.50 -0.05 7.72 2.96 0.08 -4.62 118.68 124.27 1r9t s LEU 142 Ca 0.00 0.76 -0.01 0.00 -0.22 0.00 0.00 54.13 54.66 1r9t s LEU 142 Cb 0.00 2.08 0.03 0.00 0.50 0.00 0.00 46.19 48.80 1r9t s LEU 142 CO 0.00 -0.32 0.03 -0.76 -1.32 0.00 0.00 176.35 173.98 1r9t s LEU 143 N -0.48 0.53 -0.13 -0.68 1.02 -1.14 -0.32 118.68 117.48 1r9t s LEU 143 Ca -0.02 0.00 -0.06 0.00 0.02 0.00 0.00 54.13 54.08 1r9t s LEU 143 Cb -0.02 -0.25 -0.04 0.00 0.02 0.00 0.00 46.19 45.90 1r9t s LEU 143 CO 0.01 -0.20 0.08 -0.63 0.02 0.00 0.00 176.35 175.63 1r9t s ILE 144 N 1.83 5.00 -0.04 -0.59 1.01 0.29 -2.30 121.20 126.39 1r9t s ILE 144 Ca 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 1r9t s ILE 144 Cb -0.12 -3.18 0.03 0.00 0.01 0.00 0.00 42.46 39.19 1r9t s ILE 144 CO -0.03 0.57 0.01 0.00 0.00 0.00 0.00 174.94 175.48 1r9t s ARG 145 N -0.57 0.34 0.00 2.79 1.70 -0.59 -1.05 118.95 121.57 1r9t s ARG 145 Ca 0.11 0.14 0.00 0.00 -0.47 0.00 0.00 55.73 55.51 1r9t s ARG 145 Cb -0.12 -0.65 0.00 0.00 -0.57 0.00 0.00 34.95 33.61 1r9t s ARG 145 CO 0.02 -0.22 0.00 0.54 -1.08 0.00 0.00 175.30 174.56