#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d9k n SER 3 N 0.00 3.29 0.00 1.61 2.88 -1.26 -4.96 113.62 115.19 1d9k n SER 3 Ca 0.00 -3.49 0.00 0.00 -1.33 0.00 0.00 58.87 54.05 1d9k n SER 3 Cb 0.00 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 1d9k n SER 3 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1d9k n GLU 4 N -0.74 0.00 -3.15 -1.46 -0.00 -1.26 -5.06 120.64 108.97 1d9k n GLU 4 Ca 0.30 0.00 0.06 0.00 -0.00 0.00 0.00 57.16 57.51 1d9k n GLU 4 Cb 0.88 -0.01 -0.00 0.00 -0.00 0.00 0.00 31.44 32.30 1d9k n GLU 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1d9k s ARG 5 N 0.00 0.01 0.54 3.44 3.52 -1.26 -5.19 118.95 120.01 1d9k s ARG 5 Ca 0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 55.73 55.61 1d9k s ARG 5 Cb 0.00 0.01 0.03 0.00 -1.56 0.00 0.00 34.95 33.42 1d9k s ARG 5 CO 0.00 -0.02 0.78 -1.58 -0.81 0.00 0.00 175.30 173.67 1d9k s HIS 6 N 3.00 2.97 -0.06 5.12 2.46 -1.26 -5.13 115.29 122.39 1d9k s HIS 6 Ca 0.25 0.12 -0.08 0.00 0.47 0.00 0.00 55.06 55.81 1d9k s HIS 6 Cb -0.01 -2.69 0.02 0.00 -0.13 0.00 0.00 32.58 29.77 1d9k s HIS 6 CO -0.19 -0.80 0.22 -0.06 -2.47 0.00 0.00 174.74 171.44 1d9k s PHE 7 N -2.77 -0.18 -0.00 3.88 0.08 -1.26 -5.15 117.98 112.58 1d9k s PHE 7 Ca 0.55 0.42 0.00 0.00 0.12 0.00 0.00 56.93 58.03 1d9k s PHE 7 Cb -0.10 0.06 0.00 0.00 -0.57 0.00 0.00 43.02 42.41 1d9k s PHE 7 CO 0.39 -0.18 0.00 0.08 -0.10 0.00 0.00 175.22 175.41 1d9k s VAL 8 N -0.32 -0.00 -0.04 -0.44 1.01 -1.26 -5.03 120.40 114.32 1d9k s VAL 8 Ca -0.04 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.00 1d9k s VAL 8 Cb -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 36.38 36.33 1d9k s VAL 8 CO 0.01 0.01 -0.18 -2.28 0.00 0.00 0.00 175.10 172.66 1d9k s HIS 9 N 0.06 1.73 -0.04 5.22 2.46 -1.26 0.87 115.29 124.33 1d9k s HIS 9 Ca -0.00 -0.45 0.03 0.00 0.47 0.00 0.00 55.06 55.11 1d9k s HIS 9 Cb -0.01 -1.15 0.00 0.00 -0.13 0.00 0.00 32.58 31.30 1d9k s HIS 9 CO -0.00 -0.13 -0.12 -0.65 -2.47 0.00 0.00 174.74 171.37 1d9k s GLN 10 N -0.12 1.32 -0.23 2.88 -0.21 0.13 -4.93 119.66 118.50 1d9k s GLN 10 Ca -0.00 -0.41 0.02 0.00 0.02 0.00 0.00 55.36 54.98 1d9k s GLN 10 Cb -0.10 -1.18 0.05 0.00 1.00 0.00 0.00 33.01 32.78 1d9k s GLN 10 CO 0.01 0.13 -0.09 0.12 -2.12 0.00 0.00 175.29 173.34 1d9k s PHE 11 N 0.25 2.73 -0.26 0.91 5.36 -1.26 -0.29 117.98 125.41 1d9k s PHE 11 Ca -0.05 -1.91 0.01 0.00 -0.96 0.00 0.00 56.93 54.02 1d9k s PHE 11 Cb -0.11 -1.74 0.07 0.00 -0.34 0.00 0.00 43.02 40.91 1d9k s PHE 11 CO 0.01 -0.81 -0.03 -0.65 -1.46 0.00 0.00 175.22 172.29 1d9k s GLN 12 N 1.29 1.62 0.03 10.12 -0.21 -0.42 -5.00 119.66 127.08 1d9k s GLN 12 Ca -0.05 -1.20 -0.15 0.00 0.02 0.00 0.00 55.36 53.98 1d9k s GLN 12 Cb -0.18 -2.68 -0.06 0.00 1.00 0.00 0.00 33.01 31.09 1d9k s GLN 12 CO -0.07 -0.68 0.44 -1.25 -2.12 0.00 0.00 175.29 171.61 1d9k s PRO 13 N 1.29 3.94 -0.07 2.91 0.04 -1.26 -0.85 135.00 141.00 1d9k s PRO 13 Ca -0.02 0.44 -0.01 0.00 0.04 0.00 0.00 61.00 61.45 1d9k s PRO 13 Cb -0.19 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 31.19 1d9k s PRO 13 CO -0.08 0.66 -0.00 -0.06 0.04 0.00 0.00 177.00 177.56 1d9k s PHE 14 N -1.14 0.67 -0.33 0.56 0.08 0.40 -4.96 117.98 113.27 1d9k s PHE 14 Ca 0.26 -0.17 -0.10 0.00 0.12 0.00 0.00 56.93 57.04 1d9k s PHE 14 Cb -0.17 -0.78 0.00 0.00 -0.57 0.00 0.00 43.02 41.51 1d9k s PHE 14 CO 0.15 -0.31 0.17 0.00 -0.10 0.00 0.00 175.22 175.13 1d9k s TYR 16 N 1.60 3.27 -0.25 0.00 2.02 0.73 -4.94 117.35 119.78 1d9k s TYR 16 Ca 0.04 -1.10 -0.11 0.00 -0.37 0.00 0.00 57.07 55.52 1d9k s TYR 16 Cb -0.18 -2.86 -0.05 0.00 -0.40 0.00 0.00 41.96 38.48 1d9k s TYR 16 CO 0.06 -0.76 0.19 -0.06 -1.57 0.00 0.00 175.55 173.42 1d9k s PHE 17 N 1.55 3.29 -0.20 2.71 0.08 -1.26 -1.11 117.98 123.04 1d9k s PHE 17 Ca 0.03 0.23 -0.02 0.00 0.12 0.00 0.00 56.93 57.29 1d9k s PHE 17 Cb -0.22 -2.33 0.00 0.00 -0.57 0.00 0.00 43.02 39.90 1d9k s PHE 17 CO 0.05 -0.02 -0.11 0.99 -0.10 0.00 0.00 175.22 176.04 1d9k s THR 18 N 1.32 2.86 -0.51 0.64 2.01 -0.51 -4.72 115.64 116.74 1d9k s THR 18 Ca 0.08 -0.67 -0.24 0.00 0.31 0.00 0.00 61.69 61.17 1d9k s THR 18 Cb -0.14 -2.26 0.03 0.00 0.01 0.00 0.00 72.50 70.14 1d9k s THR 18 CO 0.07 0.47 0.64 -3.20 -0.69 0.00 0.00 174.62 171.91 1d9k n ASN 19 N 4.61 -6.43 0.00 3.53 2.85 -1.26 -2.78 115.26 115.78 1d9k n ASN 19 Ca -0.19 -0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.27 1d9k n ASN 19 Cb 0.51 -3.19 0.00 0.00 1.24 0.00 0.00 39.78 38.33 1d9k n ASN 19 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1d9k n GLY 20 N -0.51 1.21 0.74 8.20 0.00 -1.26 -2.13 105.19 111.44 1d9k n GLY 20 Ca -0.04 -0.56 0.02 0.00 0.00 0.00 0.00 46.02 45.44 1d9k n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1d9k n THR 21 N 0.00 0.62 0.10 2.61 -2.24 -1.26 -4.16 114.28 109.95 1d9k n THR 21 Ca 0.00 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 1d9k n THR 21 Cb 0.00 -0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 67.87 1d9k n THR 21 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 1d9k h GLN 22 N 1.12 -0.24 -4.84 -0.78 3.07 -1.57 -3.41 115.11 108.47 1d9k h GLN 22 Ca 0.00 0.02 -0.64 0.00 0.09 0.00 0.00 58.65 58.12 1d9k h GLN 22 Cb 0.73 0.05 -0.36 0.00 0.08 0.00 0.00 27.48 27.99 1d9k h GLN 22 CO 0.10 0.06 -0.84 0.50 0.09 0.00 0.00 178.83 178.74 1d9k s ARG 23 N -4.97 2.55 -0.06 0.06 3.52 -1.12 -5.05 118.95 113.89 1d9k s ARG 23 Ca -0.15 -0.78 0.05 0.00 -0.13 0.00 0.00 55.73 54.73 1d9k s ARG 23 Cb 0.03 -2.41 -0.01 0.00 -1.56 0.00 0.00 34.95 31.00 1d9k s ARG 23 CO 0.61 -0.28 -0.23 0.42 -0.81 0.00 0.00 175.30 175.01 1d9k s ILE 24 N 1.36 1.92 -0.21 4.11 1.01 -1.26 -1.42 121.20 126.71 1d9k s ILE 24 Ca 0.03 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.70 1d9k s ILE 24 Cb -0.14 -1.64 0.05 0.00 0.01 0.00 0.00 42.46 40.74 1d9k s ILE 24 CO -0.11 0.54 -0.08 -0.60 0.00 0.00 0.00 174.94 174.69 1d9k s ARG 25 N -0.03 1.79 -0.21 2.79 3.52 -0.27 -4.95 118.95 121.59 1d9k s ARG 25 Ca -0.06 -0.88 -0.15 0.00 -0.13 0.00 0.00 55.73 54.50 1d9k s ARG 25 Cb -0.14 -2.45 -0.04 0.00 -1.56 0.00 0.00 34.95 30.76 1d9k s ARG 25 CO 0.04 -0.50 0.38 -1.17 -0.81 0.00 0.00 175.30 173.24 1d9k s LEU 26 N 1.42 4.14 -0.11 -0.88 2.96 -1.26 -0.19 118.68 124.76 1d9k s LEU 26 Ca -0.03 0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 54.34 1d9k s LEU 26 Cb -0.17 -2.48 0.03 0.00 0.50 0.00 0.00 46.19 44.07 1d9k s LEU 26 CO -0.07 -0.08 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.17 1d9k s VAL 27 N 1.37 0.67 -0.08 1.68 1.01 0.11 0.51 120.40 125.68 1d9k s VAL 27 Ca 0.18 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.01 1d9k s VAL 27 Cb -0.15 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1d9k s VAL 27 CO 0.08 0.21 -0.19 -0.63 0.00 0.00 0.00 175.10 174.57 1d9k s ILE 28 N 1.84 2.56 0.00 2.22 1.01 -0.06 0.15 121.20 128.92 1d9k s ILE 28 Ca 0.04 -0.87 0.07 0.00 0.00 0.00 0.00 60.65 59.89 1d9k s ILE 28 Cb -0.13 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 1d9k s ILE 28 CO -0.07 0.56 -0.22 -0.13 0.00 0.00 0.00 174.94 175.08 1d9k s ARG 29 N -0.05 1.73 -0.19 2.79 0.52 -0.03 -0.97 118.95 122.75 1d9k s ARG 29 Ca -0.05 -0.86 0.01 0.00 -0.52 0.00 0.00 55.73 54.31 1d9k s ARG 29 Cb -0.14 -1.73 0.02 0.00 0.52 0.00 0.00 34.95 33.62 1d9k s ARG 29 CO 0.04 0.47 -0.18 0.71 0.02 0.00 0.00 175.30 176.35 1d9k s TYR 30 N -0.60 2.81 -0.07 -0.53 1.51 -0.42 -1.30 117.35 118.74 1d9k s TYR 30 Ca 0.09 -1.61 0.03 0.00 -1.01 0.00 0.00 57.07 54.57 1d9k s TYR 30 Cb -0.09 -1.94 0.00 0.00 -0.11 0.00 0.00 41.96 39.83 1d9k s TYR 30 CO -0.00 -0.79 -0.18 0.42 -1.11 0.00 0.00 175.55 173.89 1d9k s ILE 31 N 1.30 1.54 -0.47 2.71 1.01 0.60 -1.73 121.20 126.16 1d9k s ILE 31 Ca 0.05 -0.73 -0.16 0.00 0.00 0.00 0.00 60.65 59.81 1d9k s ILE 31 Cb -0.13 -1.35 0.07 0.00 0.01 0.00 0.00 42.46 41.05 1d9k s ILE 31 CO -0.12 0.44 0.40 -0.47 0.00 0.00 0.00 174.94 175.20 1d9k s TYR 32 N 0.39 3.23 0.00 3.97 5.04 -0.47 0.17 117.35 129.68 1d9k s TYR 32 Ca -0.13 -0.89 0.00 0.00 -2.44 0.00 0.00 57.07 53.61 1d9k s TYR 32 Cb -0.15 -3.17 0.00 0.00 0.35 0.00 0.00 41.96 38.99 1d9k s TYR 32 CO 0.05 -0.80 0.00 0.09 -1.34 0.00 0.00 175.55 173.55 1d9k n ASN 33 N 5.25 0.00 -1.16 4.32 3.02 0.25 -1.61 115.26 125.34 1d9k n ASN 33 Ca -0.12 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.52 1d9k n ASN 33 Cb 0.44 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.88 1d9k n ASN 33 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1d9k n ARG 34 N 13.16 3.12 -3.39 3.52 1.74 -1.26 -4.74 116.66 128.81 1d9k n ARG 34 Ca 0.00 -2.57 -0.44 0.00 -0.77 0.00 0.00 57.85 54.07 1d9k n ARG 34 Cb 0.00 -1.61 -0.08 0.00 -1.02 0.00 0.00 32.46 29.76 1d9k n ARG 34 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1d9k s GLU 35 N -1.46 2.98 -0.43 5.56 2.12 -0.63 -5.02 118.70 121.81 1d9k s GLU 35 Ca 0.41 -1.34 -0.28 0.00 0.36 0.00 0.00 54.97 54.12 1d9k s GLU 35 Cb 0.25 -4.12 -0.02 0.00 0.26 0.00 0.00 34.13 30.49 1d9k s GLU 35 CO 0.23 -1.02 1.80 -2.00 -0.54 0.00 0.00 175.26 173.73 1d9k s GLU 36 N 1.64 3.09 0.05 4.30 2.12 -1.26 -1.37 118.70 127.28 1d9k s GLU 36 Ca 0.04 1.11 0.23 0.00 0.36 0.00 0.00 54.97 56.71 1d9k s GLU 36 Cb -0.24 -4.25 -0.04 0.00 0.26 0.00 0.00 34.13 29.85 1d9k s GLU 36 CO 0.07 -2.15 0.92 2.48 -0.54 0.00 0.00 175.26 176.04 1d9k n TYR 37 N 11.10 0.29 -3.64 5.30 4.11 -0.70 -4.01 117.16 129.61 1d9k n TYR 37 Ca 0.22 0.09 -0.09 0.00 -0.00 0.00 0.00 57.90 58.11 1d9k n TYR 37 Cb 0.49 -0.49 -0.07 0.00 -0.00 0.00 0.00 39.34 39.27 1d9k n TYR 37 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1d9k s VAL 38 N -3.26 0.00 0.04 -3.48 0.11 -1.21 -1.25 120.40 111.35 1d9k s VAL 38 Ca 0.01 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.03 1d9k s VAL 38 Cb 0.14 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 1d9k s VAL 38 CO 0.82 0.00 0.03 -0.60 -3.33 0.00 0.00 175.10 172.03 1d9k s ARG 39 N 0.84 0.56 -0.08 1.54 3.52 -0.45 -1.30 118.95 123.59 1d9k s ARG 39 Ca -0.03 -0.91 0.03 0.00 -0.13 0.00 0.00 55.73 54.68 1d9k s ARG 39 Cb -0.05 0.21 0.01 0.00 -1.56 0.00 0.00 34.95 33.56 1d9k s ARG 39 CO -0.09 -0.12 -0.18 0.12 -0.81 0.00 0.00 175.30 174.21 1d9k s PHE 40 N -2.97 2.03 -0.22 5.12 5.36 -0.14 -0.66 117.98 126.49 1d9k s PHE 40 Ca -0.02 -0.81 0.01 0.00 -0.96 0.00 0.00 56.93 55.16 1d9k s PHE 40 Cb 0.01 -1.40 0.05 0.00 -0.34 0.00 0.00 43.02 41.34 1d9k s PHE 40 CO -0.06 -0.35 -0.09 0.34 -1.46 0.00 0.00 175.22 173.59 1d9k s ASP 41 N 0.50 3.72 0.55 6.13 -1.08 -1.26 -0.88 116.67 124.36 1d9k s ASP 41 Ca -0.17 -1.07 0.38 0.00 -0.52 0.00 0.00 52.55 51.17 1d9k s ASP 41 Cb -0.17 -1.28 1.54 0.00 -1.46 0.00 0.00 42.92 41.56 1d9k s ASP 41 CO 0.06 -0.18 1.75 0.77 0.52 0.00 0.00 175.17 178.09 1d9k h SER 42 N 7.93 0.00 0.89 -0.34 4.64 -0.30 1.81 113.55 128.18 1d9k h SER 42 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1d9k h SER 42 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1d9k h SER 42 CO 0.46 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.89 1d9k n ASP 43 N -4.05 0.37 -0.00 4.97 9.92 -1.26 -2.91 116.55 123.58 1d9k n ASP 43 Ca 0.27 0.57 0.06 0.00 -0.53 0.00 0.00 54.79 55.15 1d9k n ASP 43 Cb 1.34 -0.65 -0.09 0.00 -0.64 0.00 0.00 41.12 41.08 1d9k n ASP 43 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1d9k n VAL 44 N -1.88 0.00 -1.06 2.53 0.31 0.60 -5.02 118.33 113.80 1d9k n VAL 44 Ca 0.04 -0.26 -0.02 0.00 -0.01 0.00 0.00 64.34 64.09 1d9k n VAL 44 Cb 0.28 0.27 -0.01 0.00 -0.91 0.00 0.00 33.84 33.47 1d9k n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1d9k n GLY 45 N 1.84 0.53 3.58 2.92 0.00 -0.28 -4.99 105.19 108.79 1d9k n GLY 45 Ca -0.02 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 1d9k n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1d9k s GLU 46 N -1.28 0.40 0.29 1.61 -1.05 -1.26 -5.05 118.70 112.36 1d9k s GLU 46 Ca 0.00 -0.10 -0.29 0.00 -0.15 0.00 0.00 54.97 54.43 1d9k s GLU 46 Cb 0.00 0.18 -0.10 0.00 -0.44 0.00 0.00 34.13 33.78 1d9k s GLU 46 CO 0.00 -0.16 1.22 0.71 0.95 0.00 0.00 175.26 177.98 1d9k s TYR 47 N -2.21 3.29 -0.01 4.83 2.02 -1.26 -4.06 117.35 119.96 1d9k s TYR 47 Ca 0.07 1.50 0.02 0.00 -0.37 0.00 0.00 57.07 58.30 1d9k s TYR 47 Cb -0.01 -3.51 -0.00 0.00 -0.40 0.00 0.00 41.96 38.04 1d9k s TYR 47 CO -0.05 -1.33 -0.07 1.03 -1.57 0.00 0.00 175.55 173.56 1d9k s ARG 48 N -1.39 0.61 -0.45 -0.62 1.81 0.16 -4.78 118.95 114.28 1d9k s ARG 48 Ca 0.48 -0.26 -0.29 0.00 -1.72 0.00 0.00 55.73 53.94 1d9k s ARG 48 Cb -0.36 -0.59 0.03 0.00 -0.45 0.00 0.00 34.95 33.58 1d9k s ARG 48 CO 0.46 0.15 1.16 0.00 -0.68 0.00 0.00 175.30 176.40 1d9k s ALA 49 N -0.15 3.18 0.27 2.13 0.00 -1.26 -1.34 121.76 124.59 1d9k s ALA 49 Ca 0.02 -0.40 0.30 0.00 0.00 0.00 0.00 51.96 51.88 1d9k s ALA 49 Cb -0.03 -3.88 1.36 0.00 0.00 0.00 0.00 23.12 20.56 1d9k s ALA 49 CO -0.00 -2.20 2.00 0.28 0.00 0.00 0.00 175.76 175.84 1d9k h VAL 50 N 6.21 0.37 -3.72 0.00 2.07 -1.39 -3.44 116.25 116.34 1d9k h VAL 50 Ca -0.23 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.54 1d9k h VAL 50 Cb 1.07 1.49 -0.13 0.00 -1.52 0.00 0.00 31.29 32.19 1d9k h VAL 50 CO 1.11 0.11 -0.29 0.42 0.02 0.00 0.00 177.57 178.94 1d9k s THR 51 N -3.88 0.11 0.34 2.57 -4.23 -1.18 -4.92 115.64 104.44 1d9k s THR 51 Ca -0.01 -1.08 0.23 0.00 -1.18 0.00 0.00 61.69 59.65 1d9k s THR 51 Cb 0.11 -1.39 0.23 0.00 1.34 0.00 0.00 72.50 72.79 1d9k s THR 51 CO 0.57 -0.51 1.67 -0.08 -0.54 0.00 0.00 174.62 175.73 1d9k h GLU 52 N 2.62 0.00 -0.45 3.99 4.81 -1.88 -1.27 114.58 122.40 1d9k h GLU 52 Ca -0.33 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.79 1d9k h GLU 52 Cb 1.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1d9k h GLU 52 CO 0.53 0.00 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.59 1d9k h LEU 53 N 0.00 0.90 -1.17 1.64 3.38 -1.96 -3.15 115.31 114.96 1d9k h LEU 53 Ca 0.00 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1d9k h LEU 53 Cb 0.57 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1d9k h LEU 53 CO 0.00 1.08 0.00 0.61 0.09 0.00 0.00 178.44 180.22 1d9k n GLY 54 N -0.16 0.52 0.44 0.83 0.00 -0.48 -4.41 105.19 101.93 1d9k n GLY 54 Ca -0.00 -0.33 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 1d9k n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1d9k h ARG 55 N 1.76 -0.95 -0.24 1.61 2.43 -1.61 0.16 114.38 117.53 1d9k h ARG 55 Ca 0.00 0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1d9k h ARG 55 Cb 0.45 0.22 -0.08 0.00 -0.42 0.00 0.00 29.97 30.14 1d9k h ARG 55 CO 0.01 -0.63 -0.39 -1.35 -1.51 0.00 0.00 179.97 176.10 1d9k h PRO 56 N -0.99 -0.38 -0.26 0.20 0.11 -1.83 -2.28 132.00 126.57 1d9k h PRO 56 Ca -0.08 0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.09 1d9k h PRO 56 Cb 0.81 0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.97 1d9k h PRO 56 CO 0.06 -0.25 0.06 -0.44 -0.21 0.00 0.00 178.00 177.21 1d9k h ASP 57 N -0.39 0.03 -0.31 -2.05 5.19 -1.84 -1.10 116.42 115.95 1d9k h ASP 57 Ca 0.11 0.04 0.04 0.00 -0.62 0.00 0.00 57.03 56.60 1d9k h ASP 57 Cb 0.59 0.05 -0.07 0.00 0.18 0.00 0.00 39.33 40.07 1d9k h ASP 57 CO -0.46 0.05 -0.54 0.00 -3.12 0.00 0.00 179.24 175.17 1d9k h ALA 58 N 1.19 -0.81 -0.44 3.45 0.00 -0.12 0.31 119.26 122.83 1d9k h ALA 58 Ca 0.12 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1d9k h ALA 58 Cb 0.12 1.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1d9k h ALA 58 CO -0.15 -1.05 -0.01 1.05 0.00 0.00 0.00 179.25 179.09 1d9k h GLU 59 N -0.45 0.78 -0.19 0.00 -0.00 -1.38 -2.39 114.58 110.95 1d9k h GLU 59 Ca 0.06 -0.25 0.05 0.00 -0.00 0.00 0.00 59.36 59.22 1d9k h GLU 59 Cb 0.61 -0.07 -0.06 0.00 -0.00 0.00 0.00 28.75 29.23 1d9k h GLU 59 CO -0.53 0.85 -0.18 -0.92 -0.00 0.00 0.00 179.01 178.23 1d9k h TYR 60 N 0.62 -0.47 -0.26 2.06 3.20 -0.74 -2.13 116.97 119.25 1d9k h TYR 60 Ca 0.12 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1d9k h TYR 60 Cb 0.50 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1d9k h TYR 60 CO 0.04 -0.26 0.11 -1.49 -1.64 0.00 0.00 178.16 174.92 1d9k h TRP 61 N -0.20 0.40 -1.00 -3.82 6.55 -0.93 -2.83 115.95 114.12 1d9k h TRP 61 Ca 0.12 -0.03 0.16 0.00 0.95 0.00 0.00 58.89 60.09 1d9k h TRP 61 Cb 0.38 -0.12 -0.10 0.00 -0.86 0.00 0.00 29.16 28.46 1d9k h TRP 61 CO -0.32 0.41 0.62 -0.91 -1.05 0.00 0.00 178.44 177.19 1d9k h ASN 62 N 0.28 0.84 -1.20 -3.49 4.21 -1.16 0.74 115.58 115.80 1d9k h ASN 62 Ca 0.09 0.08 -0.60 0.00 1.21 0.00 0.00 56.30 57.08 1d9k h ASN 62 Cb 0.18 -0.08 -0.23 0.00 -1.12 0.00 0.00 38.32 37.07 1d9k h ASN 62 CO -0.01 0.36 0.73 2.29 -1.29 0.00 0.00 177.43 179.52 1d9k n LYS 63 N -4.71 2.47 0.08 0.81 2.85 -0.83 -3.87 118.16 114.97 1d9k n LYS 63 Ca 0.22 -2.81 0.00 0.00 -1.05 0.00 0.00 58.31 54.66 1d9k n LYS 63 Cb 0.49 -2.12 0.00 0.00 -0.65 0.00 0.00 35.03 32.74 1d9k n LYS 63 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 1d9k n GLN 64 N -0.16 0.00 -0.18 -1.58 -0.06 -0.04 -4.98 117.38 110.38 1d9k n GLN 64 Ca 0.51 0.00 0.09 0.00 -2.00 0.00 0.00 57.00 55.59 1d9k n GLN 64 Cb 0.50 0.00 0.18 0.00 -4.06 0.00 0.00 30.24 26.86 1d9k n GLN 64 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1d9k n TYR 67 N -3.04 0.48 0.04 3.69 4.01 0.24 -4.64 117.16 117.94 1d9k n TYR 67 Ca 0.00 -0.34 -0.11 0.00 -0.16 0.00 0.00 57.90 57.29 1d9k n TYR 67 Cb 0.00 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 38.98 1d9k n TYR 67 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1d9k h LEU 68 N 3.21 -0.81 -0.03 7.72 5.85 -1.50 -0.88 115.31 128.86 1d9k h LEU 68 Ca 0.00 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1d9k h LEU 68 Cb 0.81 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1d9k h LEU 68 CO 0.00 -0.33 -0.11 -0.08 -0.34 0.00 0.00 178.44 177.57 1d9k h GLU 69 N -0.39 -0.11 -0.78 1.25 4.81 -1.86 -1.37 114.58 116.12 1d9k h GLU 69 Ca 0.07 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.44 1d9k h GLU 69 Cb 0.50 0.03 -0.14 0.00 0.63 0.00 0.00 28.75 29.76 1d9k h GLU 69 CO -0.26 -0.07 -0.35 0.00 -0.73 0.00 0.00 179.01 177.60 1d9k h ARG 70 N -0.12 -0.08 -0.96 1.92 2.47 -1.85 0.38 114.38 116.14 1d9k h ARG 70 Ca 0.01 0.01 0.22 0.00 -1.26 0.00 0.00 59.98 58.95 1d9k h ARG 70 Cb 0.14 0.02 -0.12 0.00 -1.65 0.00 0.00 29.97 28.36 1d9k h ARG 70 CO -0.09 -0.05 0.53 1.15 0.56 0.00 0.00 179.97 182.07 1d9k h THR 71 N -0.08 0.57 -0.21 2.04 2.02 -0.69 0.34 112.91 116.91 1d9k h THR 71 Ca 0.30 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 67.20 1d9k h THR 71 Cb 0.58 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1d9k h THR 71 CO -0.82 0.11 -0.18 0.03 0.37 0.00 0.00 175.52 175.02 1d9k h ARG 72 N 0.58 0.49 -0.98 6.66 3.08 0.76 -2.89 114.38 122.08 1d9k h ARG 72 Ca 0.59 -0.25 0.24 0.00 0.07 0.00 0.00 59.98 60.64 1d9k h ARG 72 Cb 1.07 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.04 1d9k h ARG 72 CO -0.46 0.82 0.65 0.00 -1.07 0.00 0.00 179.97 179.91 1d9k h ALA 73 N 0.66 2.29 -0.71 0.04 0.00 0.18 0.28 119.26 121.99 1d9k h ALA 73 Ca 0.04 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.12 1d9k h ALA 73 Cb 0.71 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1d9k h ALA 73 CO 0.05 -0.63 0.48 0.93 0.00 0.00 0.00 179.25 180.07 1d9k h GLU 74 N 0.37 0.38 -0.95 0.00 5.08 -0.81 -1.15 114.58 117.51 1d9k h GLU 74 Ca 0.53 -0.02 0.29 0.00 -1.00 0.00 0.00 59.36 59.16 1d9k h GLU 74 Cb 1.40 -0.09 -0.16 0.00 0.50 0.00 0.00 28.75 30.41 1d9k h GLU 74 CO -0.21 0.25 0.32 1.25 -1.00 0.00 0.00 179.01 179.62 1d9k h LEU 75 N 0.39 0.09 0.00 1.33 5.85 -0.56 0.25 115.31 122.66 1d9k h LEU 75 Ca 0.35 0.22 0.00 0.00 0.84 0.00 0.00 57.88 59.29 1d9k h LEU 75 Cb 0.80 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1d9k h LEU 75 CO -0.10 -0.23 -0.53 0.47 -0.34 0.00 0.00 178.44 177.71 1d9k n ASP 76 N -5.24 1.45 -0.34 1.25 8.00 -0.49 -1.41 116.55 119.77 1d9k n ASP 76 Ca 0.27 0.45 0.31 0.00 0.71 0.00 0.00 54.79 56.53 1d9k n ASP 76 Cb 0.86 -0.76 0.66 0.00 -0.02 0.00 0.00 41.12 41.86 1d9k n ASP 76 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1d9k h THR 77 N -0.78 0.42 0.00 -3.53 1.35 -1.35 0.16 112.91 109.18 1d9k h THR 77 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1d9k h THR 77 Cb 0.53 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1d9k h THR 77 CO 0.00 0.03 0.00 0.52 -0.25 0.00 0.00 175.52 175.82 1d9k n VAL 78 N -4.37 0.00 -0.14 6.82 0.31 0.87 -4.43 118.33 117.39 1d9k n VAL 78 Ca 0.26 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.55 1d9k n VAL 78 Cb 1.14 -0.51 -0.04 0.00 -0.91 0.00 0.00 33.84 33.51 1d9k n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1d9k h ARG 80 N -0.04 -0.36 0.00 0.00 2.43 -1.10 -2.39 114.38 112.92 1d9k h ARG 80 Ca 0.05 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1d9k h ARG 80 Cb 0.18 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1d9k h ARG 80 CO -0.34 -0.24 0.00 1.58 -1.51 0.00 0.00 179.97 179.46 1d9k n HIS 81 N -3.73 0.00 -0.28 2.20 -0.00 0.54 -1.84 115.22 112.10 1d9k n HIS 81 Ca -0.04 0.00 0.22 0.00 0.46 0.00 0.00 57.72 58.35 1d9k n HIS 81 Cb 0.19 -0.28 0.40 0.00 -0.12 0.00 0.00 29.99 30.18 1d9k n HIS 81 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1d9k n ASN 82 N -1.94 0.15 0.00 0.26 5.03 0.04 -0.56 115.26 118.24 1d9k n ASN 82 Ca 0.00 1.42 0.00 0.00 0.87 0.00 0.00 54.58 56.87 1d9k n ASN 82 Cb 0.00 -0.62 0.00 0.00 -1.02 0.00 0.00 39.78 38.14 1d9k n ASN 82 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1d9k n TYR 83 N -5.03 0.00 -0.18 3.10 4.19 -0.77 -0.98 117.16 117.49 1d9k n TYR 83 Ca 0.27 0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.48 1d9k n TYR 83 Cb 0.92 -0.22 0.08 0.00 0.49 0.00 0.00 39.34 40.62 1d9k n TYR 83 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1d9k h GLU 84 N 0.00 0.13 -0.00 2.98 5.08 -0.79 -2.14 114.58 119.84 1d9k h GLU 84 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1d9k h GLU 84 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1d9k h GLU 84 CO 0.00 0.09 -0.24 1.63 -1.00 0.00 0.00 179.01 179.48 1d9k n LYS 84 N -5.24 0.18 0.00 2.33 4.76 0.28 -4.36 118.16 116.11 1d9k n LYS 84 Ca 0.07 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1d9k n LYS 84 Cb 0.31 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 1d9k n LYS 84 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1d9k n THR 85 N -1.35 0.00 -0.11 -0.18 -2.24 -0.15 -4.84 114.28 105.41 1d9k n THR 85 Ca 0.08 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.76 1d9k n THR 85 Cb 0.33 -0.25 0.04 0.00 -2.10 0.00 0.00 70.33 68.35 1d9k n THR 85 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1d9k h GLU 86 N 0.00 0.87 -0.56 -0.78 4.39 -0.62 -2.80 114.58 115.07 1d9k h GLU 86 Ca 0.00 -0.38 0.11 0.00 0.34 0.00 0.00 59.36 59.43 1d9k h GLU 86 Cb 0.12 -0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 28.65 1d9k h GLU 86 CO 0.00 1.03 -0.02 1.15 -1.16 0.00 0.00 179.01 180.01 1d9k h THR 87 N 0.74 0.53 -0.00 1.13 2.02 -1.64 -0.98 112.91 114.71 1d9k h THR 87 Ca 0.09 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1d9k h THR 87 Cb 0.82 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1d9k h THR 87 CO 0.07 0.02 -0.31 -0.81 0.37 0.00 0.00 175.52 174.86 1d9k n PRO 88 N -5.27 0.13 0.00 6.66 -0.04 -1.22 -3.09 135.00 132.18 1d9k n PRO 88 Ca 0.07 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1d9k n PRO 88 Cb 0.31 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1d9k n PRO 88 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1d9k n THR 89 N -1.38 0.00 -0.26 0.52 -2.24 -0.63 -4.51 114.28 105.78 1d9k n THR 89 Ca 0.07 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.90 1d9k n THR 89 Cb 0.33 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.71 1d9k n THR 89 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1d9k h SER 90 N 0.00 -0.42 0.00 3.42 4.64 -1.75 0.11 113.55 119.55 1d9k h SER 90 Ca 0.00 0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1d9k h SER 90 Cb 0.00 0.37 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1d9k h SER 90 CO 0.00 -0.20 -0.00 -0.07 -0.87 0.00 0.00 176.83 175.69 1d9k h LEU 91 N 0.08 -0.00 0.34 5.97 3.38 -1.44 -3.15 115.31 120.48 1d9k h LEU 91 Ca 0.41 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.36 1d9k h LEU 91 Cb 0.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1d9k h LEU 91 CO -0.69 0.02 -0.32 -0.09 0.09 0.00 0.00 178.44 177.44 1d9k h ARG 92 N -0.02 -0.66 -6.15 1.13 2.43 -0.92 -3.44 114.38 106.75 1d9k h ARG 92 Ca -0.00 0.04 -0.72 0.00 -0.81 0.00 0.00 59.98 58.49 1d9k h ARG 92 Cb 0.02 0.15 0.06 0.00 -0.42 0.00 0.00 29.97 29.78 1d9k h ARG 92 CO 0.00 -0.44 0.18 -2.13 -1.51 0.00 0.00 179.97 176.07 1d9k n ARG 93 N -5.44 0.58 -3.66 0.20 0.63 0.19 -4.99 116.66 104.16 1d9k n ARG 93 Ca -0.09 0.21 -0.11 0.00 -0.92 0.00 0.00 57.85 56.94 1d9k n ARG 93 Cb 0.34 -1.71 -0.11 0.00 0.45 0.00 0.00 32.46 31.43 1d9k n ARG 93 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1d9k s LEU 94 N 0.52 -0.45 -0.24 6.15 1.43 -1.26 -4.65 118.68 120.18 1d9k s LEU 94 Ca 0.84 0.82 -0.02 0.00 -1.03 0.00 0.00 54.13 54.74 1d9k s LEU 94 Cb -1.07 1.08 0.02 0.00 0.03 0.00 0.00 46.19 46.25 1d9k s LEU 94 CO 0.53 -0.23 -0.07 -1.61 0.23 0.00 0.00 176.35 175.20 1d9k s GLU 95 N 2.43 2.94 0.54 1.70 0.41 -0.73 -4.94 118.70 121.06 1d9k s GLU 95 Ca -0.01 -0.91 -0.21 0.00 -0.41 0.00 0.00 54.97 53.43 1d9k s GLU 95 Cb -0.12 -2.97 -0.05 0.00 -1.78 0.00 0.00 34.13 29.22 1d9k s GLU 95 CO -0.11 -0.36 1.29 -0.65 -0.49 0.00 0.00 175.26 174.95 1d9k s GLN 96 N 1.35 3.21 0.90 1.61 -0.21 -1.26 -1.29 119.66 123.97 1d9k s GLN 96 Ca 0.01 2.07 -0.12 0.00 0.02 0.00 0.00 55.36 57.35 1d9k s GLN 96 Cb -0.16 -2.22 0.13 0.00 1.00 0.00 0.00 33.01 31.77 1d9k s GLN 96 CO -0.05 -1.09 1.13 -1.25 -2.12 0.00 0.00 175.29 171.91 1d9k s PRO 97 N -2.95 1.24 -0.35 2.91 0.04 -1.26 -4.49 135.00 130.13 1d9k s PRO 97 Ca 0.71 0.36 0.02 0.00 0.04 0.00 0.00 61.00 62.14 1d9k s PRO 97 Cb -0.36 -1.84 0.11 0.00 0.04 0.00 0.00 34.50 32.44 1d9k s PRO 97 CO 0.42 -2.15 0.11 0.45 0.04 0.00 0.00 177.00 175.87 1d9k s SER 98 N -3.96 4.29 -0.17 6.66 0.15 -0.64 -4.87 113.70 115.15 1d9k s SER 98 Ca 0.63 -2.04 -0.13 0.00 0.70 0.00 0.00 55.95 55.11 1d9k s SER 98 Cb -0.15 -1.23 -0.05 0.00 -1.71 0.00 0.00 66.02 62.88 1d9k s SER 98 CO 0.54 -0.37 0.25 0.68 1.20 0.00 0.00 173.24 175.53 1d9k s VAL 99 N 1.07 5.33 -0.24 4.45 -7.23 -1.25 -1.19 120.40 121.35 1d9k s VAL 99 Ca 0.12 0.45 -0.03 0.00 -1.81 0.00 0.00 61.98 60.70 1d9k s VAL 99 Cb -0.19 -3.59 0.13 0.00 0.56 0.00 0.00 36.38 33.29 1d9k s VAL 99 CO -0.14 0.40 0.38 0.68 -0.31 0.00 0.00 175.10 176.11 1d9k s VAL 100 N 0.47 -0.60 0.59 1.32 -7.23 -0.57 -4.98 120.40 109.40 1d9k s VAL 100 Ca 0.14 -0.05 -0.15 0.00 -1.81 0.00 0.00 61.98 60.11 1d9k s VAL 100 Cb -0.12 -0.80 -0.04 0.00 0.56 0.00 0.00 36.38 35.98 1d9k s VAL 100 CO 0.02 -0.11 1.05 -0.63 -0.31 0.00 0.00 175.10 175.12 1d9k s ILE 101 N 2.55 3.95 0.00 -0.62 1.01 -1.08 -4.02 121.20 122.99 1d9k s ILE 101 Ca 0.11 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.66 1d9k s ILE 101 Cb -0.15 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1d9k s ILE 101 CO -0.15 -0.57 0.00 -1.54 0.00 0.00 0.00 174.94 172.68 1d9k n SER 102 N -2.05 0.00 -1.12 3.58 3.41 -0.32 -4.95 113.62 112.17 1d9k n SER 102 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1d9k n SER 102 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1d9k n SER 102 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1d9k n LEU 103 N 0.00 -1.49 -4.94 1.04 7.94 -1.26 -3.92 117.00 114.37 1d9k n LEU 103 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.61 1d9k n LEU 103 Cb 0.00 -0.75 0.16 0.00 0.53 0.00 0.00 43.42 43.36 1d9k n LEU 103 CO 0.00 0.00 0.81 -0.55 -1.11 0.00 0.00 177.39 176.54 1d9k s SER 104 N -1.61 3.54 0.00 1.96 0.15 -1.26 -4.12 113.70 112.36 1d9k s SER 104 Ca 0.00 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1d9k s SER 104 Cb 0.00 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 1d9k s SER 104 CO 0.00 -2.46 0.00 0.54 1.20 0.00 0.00 173.24 172.52 1d9k n ARG 105 N -3.54 0.00 -3.82 5.44 3.00 -1.26 -4.87 116.66 111.60 1d9k n ARG 105 Ca 0.14 0.00 -0.34 0.00 -0.01 0.00 0.00 57.85 57.64 1d9k n ARG 105 Cb 0.60 -3.59 -0.12 0.00 0.00 0.00 0.00 32.46 29.35 1d9k n ARG 105 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1d9k s THR 106 N -1.43 3.18 -0.01 0.55 -4.23 -1.26 -5.08 115.64 107.36 1d9k s THR 106 Ca 0.00 -2.85 0.02 0.00 -1.18 0.00 0.00 61.69 57.69 1d9k s THR 106 Cb 0.00 -3.14 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 1d9k s THR 106 CO 0.00 -0.80 -0.05 -1.61 -0.54 0.00 0.00 174.62 171.63 1d9k s GLU 107 N 0.18 2.65 -0.30 3.99 8.01 -1.26 -4.95 118.70 127.01 1d9k s GLU 107 Ca 0.15 -0.66 -0.07 0.00 0.01 0.00 0.00 54.97 54.39 1d9k s GLU 107 Cb -0.22 -2.56 0.16 0.00 -4.31 0.00 0.00 34.13 27.20 1d9k s GLU 107 CO -0.03 0.62 0.71 0.00 0.01 0.00 0.00 175.26 176.56 1d9k s ALA 108 N -0.99 -2.33 -0.28 5.21 0.00 -1.26 -5.05 121.76 117.06 1d9k s ALA 108 Ca 0.17 2.04 -0.19 0.00 0.00 0.00 0.00 51.96 53.97 1d9k s ALA 108 Cb -0.11 -2.03 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 1d9k s ALA 108 CO 0.07 -1.13 0.59 -1.17 0.00 0.00 0.00 175.76 174.12 1d9k s LEU 109 N 2.83 4.10 0.00 0.00 2.96 -1.26 -3.82 118.68 123.49 1d9k s LEU 109 Ca 0.05 0.53 0.00 0.00 -0.22 0.00 0.00 54.13 54.49 1d9k s LEU 109 Cb -0.12 -2.77 0.00 0.00 0.50 0.00 0.00 46.19 43.80 1d9k s LEU 109 CO -0.19 -0.38 0.00 0.59 -1.32 0.00 0.00 176.35 175.05 1d9k n ASN 110 N 5.71 0.00 -1.32 3.68 3.02 -1.03 -4.94 115.26 120.38 1d9k n ASN 110 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1d9k n ASN 110 Cb 0.49 -1.09 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 1d9k n ASN 110 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1d9k n HIS 111 N -2.00 0.00 -4.97 3.10 8.25 -1.25 -4.97 115.22 113.37 1d9k n HIS 111 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 1d9k n HIS 111 Cb 0.00 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 30.95 1d9k n HIS 111 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1d9k s HIS 112 N 1.36 1.86 0.36 4.41 0.09 -1.26 -4.18 115.29 117.93 1d9k s HIS 112 Ca 0.00 -0.45 -0.17 0.00 -0.00 0.00 0.00 55.06 54.45 1d9k s HIS 112 Cb 0.00 -1.22 0.05 0.00 -0.00 0.00 0.00 32.58 31.41 1d9k s HIS 112 CO 0.00 -0.10 0.81 -0.80 -0.00 0.00 0.00 174.74 174.64 1d9k s ASN 113 N -0.26 -0.02 0.30 1.40 -0.87 -1.10 -4.91 114.94 109.49 1d9k s ASN 113 Ca 0.02 -1.06 0.08 0.00 -1.57 0.00 0.00 52.86 50.34 1d9k s ASN 113 Cb -0.10 0.81 -0.06 0.00 -0.02 0.00 0.00 41.25 41.88 1d9k s ASN 113 CO 0.01 -1.60 -0.09 -0.89 -2.57 0.00 0.00 177.10 171.95 1d9k s THR 114 N -2.43 1.99 -0.18 1.60 2.01 -1.26 -0.02 115.64 117.36 1d9k s THR 114 Ca 0.16 -2.19 -0.02 0.00 0.31 0.00 0.00 61.69 59.94 1d9k s THR 114 Cb -0.05 -2.50 0.05 0.00 0.01 0.00 0.00 72.50 70.02 1d9k s THR 114 CO 0.10 -0.28 0.03 -0.76 -0.69 0.00 0.00 174.62 173.02 1d9k s LEU 115 N -3.52 1.14 -0.31 4.42 1.43 0.88 -4.64 118.68 118.09 1d9k s LEU 115 Ca 0.30 -0.72 -0.23 0.00 -1.03 0.00 0.00 54.13 52.45 1d9k s LEU 115 Cb 0.02 -0.60 0.00 0.00 0.03 0.00 0.00 46.19 45.64 1d9k s LEU 115 CO 0.14 -0.28 0.79 -0.69 0.23 0.00 0.00 176.35 176.53 1d9k s VAL 116 N 1.86 4.79 0.02 -1.59 1.01 -1.25 -0.04 120.40 125.19 1d9k s VAL 116 Ca -0.00 1.16 -0.25 0.00 0.00 0.00 0.00 61.98 62.89 1d9k s VAL 116 Cb -0.16 -4.15 -0.17 0.00 0.00 0.00 0.00 36.38 31.89 1d9k s VAL 116 CO -0.08 -0.26 1.35 0.00 0.00 0.00 0.00 175.10 176.12 1d9k n SER 118 N -5.07 -1.26 -4.14 0.00 7.64 -1.26 -2.01 113.62 107.52 1d9k n SER 118 Ca -0.09 0.91 -0.33 0.00 1.01 0.00 0.00 58.87 60.37 1d9k n SER 118 Cb 0.22 -3.81 -0.15 0.00 -1.01 0.00 0.00 64.21 59.46 1d9k n SER 118 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1d9k s VAL 119 N -0.43 2.35 0.41 0.44 1.01 -0.79 -1.51 120.40 121.88 1d9k s VAL 119 Ca -0.18 -1.09 0.07 0.00 0.00 0.00 0.00 61.98 60.78 1d9k s VAL 119 Cb 0.01 -2.13 -0.07 0.00 0.00 0.00 0.00 36.38 34.20 1d9k s VAL 119 CO 0.49 0.33 0.09 0.42 0.00 0.00 0.00 175.10 176.43 1d9k s THR 120 N 1.27 2.15 -0.36 3.92 -4.23 -0.33 -1.40 115.64 116.66 1d9k s THR 120 Ca 0.01 -1.85 -0.07 0.00 -1.18 0.00 0.00 61.69 58.59 1d9k s THR 120 Cb -0.15 -3.00 0.01 0.00 1.34 0.00 0.00 72.50 70.70 1d9k s THR 120 CO -0.09 -0.00 0.22 0.47 -0.54 0.00 0.00 174.62 174.68 1d9k n ASP 121 N -1.10 -1.46 -4.66 3.99 8.00 0.71 -1.63 116.55 120.40 1d9k n ASP 121 Ca -0.03 -0.40 -0.25 0.00 0.71 0.00 0.00 54.79 54.82 1d9k n ASP 121 Cb 0.66 -0.53 -0.09 0.00 -0.02 0.00 0.00 41.12 41.14 1d9k n ASP 121 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1d9k s PHE 122 N -3.63 2.56 -0.28 1.24 -0.71 -0.69 -4.52 117.98 111.95 1d9k s PHE 122 Ca 0.10 -0.53 -0.22 0.00 -1.04 0.00 0.00 56.93 55.24 1d9k s PHE 122 Cb -0.06 -1.70 0.11 0.00 -1.21 0.00 0.00 43.02 40.16 1d9k s PHE 122 CO 0.32 0.38 0.89 -0.47 -1.34 0.00 0.00 175.22 174.99 1d9k s TYR 123 N -2.58 -0.66 0.00 3.49 6.14 -0.41 -1.11 117.35 122.22 1d9k s TYR 123 Ca 0.37 1.51 0.00 0.00 0.64 0.00 0.00 57.07 59.59 1d9k s TYR 123 Cb 0.03 0.37 0.00 0.00 0.42 0.00 0.00 41.96 42.78 1d9k s TYR 123 CO 0.20 -0.32 0.00 -0.35 0.64 0.00 0.00 175.55 175.72 1d9k n PRO 124 N 2.87 0.61 0.11 4.97 -0.04 -1.26 -1.77 135.00 140.49 1d9k n PRO 124 Ca -0.15 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.27 1d9k n PRO 124 Cb 0.56 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.10 1d9k n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1d9k h ALA 125 N -2.00 0.76 -1.82 0.55 0.00 -1.99 -3.45 119.26 111.30 1d9k h ALA 125 Ca 0.00 -0.67 -0.61 0.00 0.00 0.00 0.00 54.91 53.64 1d9k h ALA 125 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1d9k h ALA 125 CO 0.00 0.90 1.42 1.17 0.00 0.00 0.00 179.25 182.74 1d9k n LYS 126 N -3.68 1.86 -3.70 0.00 3.00 -1.26 -4.94 118.16 109.44 1d9k n LYS 126 Ca -0.01 0.55 -0.14 0.00 -0.00 0.00 0.00 58.31 58.71 1d9k n LYS 126 Cb 0.72 -2.99 -0.09 0.00 0.00 0.00 0.00 35.03 32.67 1d9k n LYS 126 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1d9k s ILE 127 N 7.39 0.02 -0.22 3.15 2.07 -1.26 -4.34 121.20 128.02 1d9k s ILE 127 Ca 1.01 -0.14 0.02 0.00 -1.41 0.00 0.00 60.65 60.12 1d9k s ILE 127 Cb -0.49 -0.69 0.05 0.00 0.13 0.00 0.00 42.46 41.45 1d9k s ILE 127 CO 0.40 -0.08 -0.12 -0.75 -1.91 0.00 0.00 174.94 172.49 1d9k s LYS 128 N -0.44 2.24 -0.09 3.50 2.47 -0.45 -5.00 119.74 121.97 1d9k s LYS 128 Ca -0.06 -1.01 -0.01 0.00 -1.56 0.00 0.00 55.97 53.34 1d9k s LYS 128 Cb -0.03 -2.60 -0.03 0.00 -1.46 0.00 0.00 37.83 33.71 1d9k s LYS 128 CO 0.03 -0.44 -0.04 0.08 0.16 0.00 0.00 175.35 175.14 1d9k s VAL 129 N 1.29 3.97 0.05 4.02 1.01 -1.26 -0.95 120.40 128.53 1d9k s VAL 129 Ca -0.03 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1d9k s VAL 129 Cb -0.17 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 1d9k s VAL 129 CO -0.08 0.59 -0.06 -0.13 0.00 0.00 0.00 175.10 175.42 1d9k s ARG 130 N -0.70 0.58 -0.16 2.72 0.52 -0.25 -4.98 118.95 116.67 1d9k s ARG 130 Ca 0.11 -0.94 -0.02 0.00 -0.52 0.00 0.00 55.73 54.36 1d9k s ARG 130 Cb -0.11 -0.14 -0.02 0.00 0.52 0.00 0.00 34.95 35.20 1d9k s ARG 130 CO 0.02 -0.00 -0.08 -1.58 0.02 0.00 0.00 175.30 173.67 1d9k s TRP 131 N -2.29 2.91 -0.02 -0.53 0.23 -1.26 -0.05 118.94 117.93 1d9k s TRP 131 Ca -0.03 -0.63 0.06 0.00 -2.03 0.00 0.00 56.10 53.47 1d9k s TRP 131 Cb -0.04 -1.95 -0.02 0.00 0.03 0.00 0.00 33.47 31.50 1d9k s TRP 131 CO -0.02 -0.26 -0.21 -0.06 0.96 0.00 0.00 176.95 177.35 1d9k s PHE 132 N 0.66 1.95 -0.29 -1.98 0.40 -0.95 -0.45 117.98 117.32 1d9k s PHE 132 Ca -0.04 -0.40 -0.03 0.00 -0.60 0.00 0.00 56.93 55.85 1d9k s PHE 132 Cb -0.15 -1.26 0.04 0.00 0.51 0.00 0.00 43.02 42.15 1d9k s PHE 132 CO 0.02 -0.06 0.02 0.50 0.70 0.00 0.00 175.22 176.40 1d9k s ARG 133 N -0.44 2.67 -0.46 0.44 3.52 1.01 -0.86 118.95 124.83 1d9k s ARG 133 Ca 0.06 -1.11 -0.29 0.00 -0.13 0.00 0.00 55.73 54.26 1d9k s ARG 133 Cb -0.09 -3.21 0.04 0.00 -1.56 0.00 0.00 34.95 30.13 1d9k s ARG 133 CO -0.00 -0.55 0.59 0.09 -0.81 0.00 0.00 175.30 174.62 1d9k n ASN 134 N 4.71 -4.76 0.00 -2.12 3.02 -0.99 -0.15 115.26 114.97 1d9k n ASN 134 Ca -0.14 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 1d9k n ASN 134 Cb 0.45 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.20 1d9k n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1d9k n GLY 135 N -0.41 1.36 3.69 7.41 0.00 -1.26 -4.93 105.19 111.04 1d9k n GLY 135 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1d9k n GLY 135 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1d9k s GLN 136 N 0.00 3.49 -0.34 1.61 0.74 0.79 -5.07 119.66 120.88 1d9k s GLN 136 Ca 0.00 -0.34 -0.29 0.00 0.05 0.00 0.00 55.36 54.78 1d9k s GLN 136 Cb 0.00 -3.03 0.01 0.00 1.10 0.00 0.00 33.01 31.09 1d9k s GLN 136 CO 0.00 0.53 1.15 -2.00 -0.55 0.00 0.00 175.29 174.41 1d9k s GLU 137 N -0.36 3.98 0.49 1.67 2.12 -1.26 0.33 118.70 125.68 1d9k s GLU 137 Ca 0.08 1.05 -0.03 0.00 0.36 0.00 0.00 54.97 56.44 1d9k s GLU 137 Cb -0.12 -3.80 -0.01 0.00 0.26 0.00 0.00 34.13 30.46 1d9k s GLU 137 CO 0.02 -1.03 0.76 -1.21 -0.54 0.00 0.00 175.26 173.26 1d9k s GLU 138 N 3.91 3.16 0.00 4.30 0.41 0.40 -4.87 118.70 126.01 1d9k s GLU 138 Ca 0.49 -0.16 0.00 0.00 -0.41 0.00 0.00 54.97 54.89 1d9k s GLU 138 Cb -0.13 -2.43 0.00 0.00 -1.78 0.00 0.00 34.13 29.79 1d9k s GLU 138 CO 0.20 -0.36 0.00 0.25 -0.49 0.00 0.00 175.26 174.86 1d9k n THR 139 N -2.26 0.00 0.24 3.63 -2.24 -1.26 -4.49 114.28 107.90 1d9k n THR 139 Ca 0.02 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.90 1d9k n THR 139 Cb 0.57 0.36 0.53 0.00 -2.10 0.00 0.00 70.33 69.69 1d9k n THR 139 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1d9k n VAL 140 N 0.00 1.01 -0.99 2.28 0.31 -1.26 -2.70 118.33 116.98 1d9k n VAL 140 Ca 0.00 0.56 0.00 0.00 -0.01 0.00 0.00 64.34 64.89 1d9k n VAL 140 Cb 0.01 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 1d9k n VAL 140 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1d9k n GLY 141 N -0.87 -1.01 3.55 2.92 0.00 -1.26 -5.03 105.19 103.49 1d9k n GLY 141 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1d9k n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d9k s VAL 142 N -0.01 3.19 0.16 1.61 1.01 -1.10 -3.35 120.40 121.91 1d9k s VAL 142 Ca 0.00 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.09 1d9k s VAL 142 Cb 0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1d9k s VAL 142 CO 0.00 -0.46 0.04 -0.94 0.00 0.00 0.00 175.10 173.74 1d9k s SER 143 N 10.05 5.03 0.09 3.32 1.04 -0.79 -5.02 113.70 127.41 1d9k s SER 143 Ca 0.82 -0.28 -0.05 0.00 0.48 0.00 0.00 55.95 56.92 1d9k s SER 143 Cb -0.14 -1.17 -0.02 0.00 0.10 0.00 0.00 66.02 64.79 1d9k s SER 143 CO 0.19 0.10 0.10 -0.55 0.98 0.00 0.00 173.24 174.06 1d9k s SER 144 N -2.89 0.28 0.46 7.02 0.15 -1.26 -2.64 113.70 114.82 1d9k s SER 144 Ca 0.28 -0.88 0.07 0.00 0.70 0.00 0.00 55.95 56.13 1d9k s SER 144 Cb -0.10 0.29 -0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1d9k s SER 144 CO 0.20 -0.69 0.38 0.28 1.20 0.00 0.00 173.24 174.60 1d9k s THR 145 N -3.92 2.26 1.20 6.45 -1.32 -1.26 -4.99 115.64 114.07 1d9k s THR 145 Ca 0.09 -1.43 -0.20 0.00 -1.21 0.00 0.00 61.69 58.95 1d9k s THR 145 Cb 0.06 -2.68 0.29 0.00 -1.51 0.00 0.00 72.50 68.66 1d9k s THR 145 CO -0.08 0.00 1.13 -1.10 -2.21 0.00 0.00 174.62 172.35 1d9k s GLN 146 N -4.17 -1.25 -0.41 7.08 -1.52 -1.26 -4.82 119.66 113.31 1d9k s GLN 146 Ca 0.43 -0.14 -0.22 0.00 -1.95 0.00 0.00 55.36 53.48 1d9k s GLN 146 Cb -0.02 -1.60 0.02 0.00 -0.22 0.00 0.00 33.01 31.19 1d9k s GLN 146 CO 0.25 -3.71 0.74 -1.17 -0.25 0.00 0.00 175.29 171.15 1d9k s LEU 147 N -6.91 4.25 -0.20 2.90 2.96 -1.26 -4.63 118.68 115.79 1d9k s LEU 147 Ca 0.72 0.02 -0.26 0.00 -0.22 0.00 0.00 54.13 54.38 1d9k s LEU 147 Cb -0.09 -2.92 -0.01 0.00 0.50 0.00 0.00 46.19 43.68 1d9k s LEU 147 CO 0.56 -0.80 0.89 -0.63 -1.32 0.00 0.00 176.35 175.05 1d9k s ILE 148 N 3.08 4.81 -0.48 6.68 1.09 0.84 -4.95 121.20 132.28 1d9k s ILE 148 Ca 0.28 1.74 -0.15 0.00 -1.10 0.00 0.00 60.65 61.42 1d9k s ILE 148 Cb -0.13 -4.18 0.09 0.00 -1.06 0.00 0.00 42.46 37.17 1d9k s ILE 148 CO 0.19 -0.05 0.40 -0.60 -0.10 0.00 0.00 174.94 174.78 1d9k s ARG 149 N 2.59 2.93 0.56 2.79 3.52 -1.26 -1.76 118.95 128.32 1d9k s ARG 149 Ca 0.39 -1.44 0.30 0.00 -0.13 0.00 0.00 55.73 54.85 1d9k s ARG 149 Cb -0.16 -4.12 1.68 0.00 -1.56 0.00 0.00 34.95 30.79 1d9k s ARG 149 CO 0.10 -1.08 2.17 -0.91 -0.81 0.00 0.00 175.30 174.76 1d9k h ASN 150 N 8.74 0.00 0.00 -2.12 4.21 -1.84 -3.46 115.58 121.11 1d9k h ASN 150 Ca -0.28 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.23 1d9k h ASN 150 Cb 1.10 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.30 1d9k h ASN 150 CO 0.90 0.06 0.00 0.61 -1.29 0.00 0.00 177.43 177.71 1d9k n GLY 151 N -0.93 2.21 1.24 2.83 0.00 -1.26 -4.85 105.19 104.44 1d9k n GLY 151 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1d9k n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1d9k n ASP 152 N 0.00 3.53 -0.82 1.61 5.75 -1.26 -4.83 116.55 120.53 1d9k n ASP 152 Ca 0.00 -2.49 -0.04 0.00 -0.01 0.00 0.00 54.79 52.25 1d9k n ASP 152 Cb 0.00 -0.59 0.01 0.00 -1.03 0.00 0.00 41.12 39.51 1d9k n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1d9k n TRP 153 N 0.35 -0.40 -3.89 2.11 7.02 -1.26 -5.05 117.44 116.32 1d9k n TRP 153 Ca 0.15 0.11 -0.09 0.00 -1.02 0.00 0.00 57.50 56.65 1d9k n TRP 153 Cb 0.75 -1.70 -0.08 0.00 -2.42 0.00 0.00 31.31 27.86 1d9k n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1d9k s THR 154 N -2.68 0.15 0.24 -0.99 -4.23 -1.26 -4.80 115.64 102.08 1d9k s THR 154 Ca 0.06 -1.24 0.04 0.00 -1.18 0.00 0.00 61.69 59.37 1d9k s THR 154 Cb -0.03 -1.32 -0.05 0.00 1.34 0.00 0.00 72.50 72.44 1d9k s THR 154 CO 0.08 -0.69 -0.00 -0.36 -0.54 0.00 0.00 174.62 173.11 1d9k s PHE 155 N -3.73 1.64 0.07 3.99 0.40 -0.27 -2.33 117.98 117.75 1d9k s PHE 155 Ca 0.04 -0.90 -0.21 0.00 -0.60 0.00 0.00 56.93 55.25 1d9k s PHE 155 Cb 0.05 -0.96 0.05 0.00 0.51 0.00 0.00 43.02 42.67 1d9k s PHE 155 CO -0.10 -0.00 0.51 1.14 0.70 0.00 0.00 175.22 177.46 1d9k s GLN 156 N -3.85 1.06 -0.29 0.44 -2.07 -0.72 -0.21 119.66 114.03 1d9k s GLN 156 Ca 0.29 -0.34 -0.15 0.00 -1.82 0.00 0.00 55.36 53.34 1d9k s GLN 156 Cb 0.06 0.48 0.11 0.00 -1.09 0.00 0.00 33.01 32.57 1d9k s GLN 156 CO 0.10 -0.40 0.78 0.54 -1.32 0.00 0.00 175.29 174.99 1d9k s VAL 157 N -2.80 -0.13 -0.78 3.63 0.11 -0.49 -0.11 120.40 119.82 1d9k s VAL 157 Ca -0.03 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.96 1d9k s VAL 157 Cb -0.00 -1.00 0.20 0.00 -1.53 0.00 0.00 36.38 34.05 1d9k s VAL 157 CO -0.05 0.00 0.65 -0.76 -3.33 0.00 0.00 175.10 171.62 1d9k s LEU 158 N 1.73 5.75 -0.45 2.54 1.43 -1.26 -1.89 118.68 126.53 1d9k s LEU 158 Ca -0.09 -3.10 -0.29 0.00 -1.03 0.00 0.00 54.13 49.62 1d9k s LEU 158 Cb -0.05 -1.98 0.03 0.00 0.03 0.00 0.00 46.19 44.22 1d9k s LEU 158 CO -0.18 -0.36 1.14 0.68 0.23 0.00 0.00 176.35 177.86 1d9k s VAL 159 N -0.45 4.24 -0.09 -1.59 -7.23 -1.26 -4.15 120.40 109.87 1d9k s VAL 159 Ca 0.21 1.29 -0.07 0.00 -1.81 0.00 0.00 61.98 61.60 1d9k s VAL 159 Cb -0.14 -4.56 -0.04 0.00 0.56 0.00 0.00 36.38 32.20 1d9k s VAL 159 CO -0.07 -0.92 0.18 -0.04 -0.31 0.00 0.00 175.10 173.94 1d9k s MET 160 N 4.36 3.49 -0.18 4.82 1.00 -1.08 -0.78 119.30 130.93 1d9k s MET 160 Ca 0.48 -0.10 0.01 0.00 0.00 0.00 0.00 55.69 56.08 1d9k s MET 160 Cb -0.08 -3.17 0.03 0.00 0.00 0.00 0.00 34.83 31.61 1d9k s MET 160 CO 0.29 0.75 -0.13 -1.17 0.00 0.00 0.00 175.02 174.76 1d9k s LEU 161 N -1.20 2.10 0.15 -0.03 0.20 0.95 -1.89 118.68 118.95 1d9k s LEU 161 Ca 0.18 -0.74 -0.08 0.00 0.69 0.00 0.00 54.13 54.18 1d9k s LEU 161 Cb -0.13 -1.26 -0.06 0.00 -0.43 0.00 0.00 46.19 44.32 1d9k s LEU 161 CO 0.08 -0.10 0.45 -0.70 -0.29 0.00 0.00 176.35 175.78 1d9k s GLU 162 N 1.40 3.74 0.00 1.98 2.12 -1.21 -0.08 118.70 126.65 1d9k s GLU 162 Ca 0.01 0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.48 1d9k s GLU 162 Cb -0.15 -2.84 0.00 0.00 0.26 0.00 0.00 34.13 31.40 1d9k s GLU 162 CO -0.10 0.45 0.00 0.00 -0.54 0.00 0.00 175.26 175.08 1d9k n MET 163 N 0.32 0.00 -3.57 4.30 0.00 0.97 -4.55 117.12 114.59 1d9k n MET 163 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.38 1d9k n MET 163 Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.59 1d9k n MET 163 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1d9k s THR 164 N 0.16 0.06 -0.26 3.17 2.01 -1.26 -2.71 115.64 116.80 1d9k s THR 164 Ca 0.00 -0.82 -0.28 0.00 0.31 0.00 0.00 61.69 60.90 1d9k s THR 164 Cb 0.00 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 1d9k s THR 164 CO 0.00 -0.70 1.97 -2.16 -0.69 0.00 0.00 174.62 173.04 1d9k s PRO 165 N 2.03 3.32 -0.04 4.92 0.04 -1.26 -4.93 135.00 139.08 1d9k s PRO 165 Ca 0.09 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 62.85 1d9k s PRO 165 Cb -0.16 -4.26 0.03 0.00 0.04 0.00 0.00 34.50 30.16 1d9k s PRO 165 CO -0.34 -1.88 0.08 1.03 0.04 0.00 0.00 177.00 175.92 1d9k s ARG 166 N 5.83 -0.02 0.65 4.56 0.52 -1.26 -2.48 118.95 126.74 1d9k s ARG 166 Ca 0.88 0.33 -0.17 0.00 -0.52 0.00 0.00 55.73 56.25 1d9k s ARG 166 Cb -0.28 -0.32 -0.10 0.00 0.52 0.00 0.00 34.95 34.77 1d9k s ARG 166 CO 0.34 -0.24 0.16 0.54 0.02 0.00 0.00 175.30 176.12 1d9k n ARG 167 N 4.70 0.21 0.00 3.54 5.12 -1.26 -2.82 116.66 126.14 1d9k n ARG 167 Ca -0.17 0.09 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 1d9k n ARG 167 Cb 0.50 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.37 1d9k n ARG 167 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1d9k n GLY 168 N 2.17 3.00 3.32 -0.13 0.00 -1.26 -5.02 105.19 107.26 1d9k n GLY 168 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1d9k n GLY 168 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1d9k s GLU 169 N -0.10 3.27 -0.08 1.61 -1.05 -1.13 -5.04 118.70 116.19 1d9k s GLU 169 Ca 0.00 -0.75 0.03 0.00 -0.15 0.00 0.00 54.97 54.10 1d9k s GLU 169 Cb 0.00 -2.54 0.01 0.00 -0.44 0.00 0.00 34.13 31.16 1d9k s GLU 169 CO 0.00 0.18 -0.16 0.08 0.95 0.00 0.00 175.26 176.31 1d9k s VAL 170 N 0.39 1.44 0.23 1.83 1.01 -1.26 -4.25 120.40 119.80 1d9k s VAL 170 Ca -0.13 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 1d9k s VAL 170 Cb -0.16 -1.28 -0.07 0.00 0.00 0.00 0.00 36.38 34.86 1d9k s VAL 170 CO 0.06 0.42 0.58 -0.31 0.00 0.00 0.00 175.10 175.86 1d9k s TYR 171 N 0.54 3.45 -0.10 5.22 2.02 -1.26 -2.35 117.35 124.87 1d9k s TYR 171 Ca -0.16 0.97 -0.01 0.00 -0.37 0.00 0.00 57.07 57.51 1d9k s TYR 171 Cb -0.16 -2.33 0.03 0.00 -0.40 0.00 0.00 41.96 39.09 1d9k s TYR 171 CO 0.05 0.27 -0.05 0.99 -1.57 0.00 0.00 175.55 175.25 1d9k s THR 172 N -1.78 0.78 -0.19 -0.71 2.01 -0.04 0.48 115.64 116.21 1d9k s THR 172 Ca 0.47 -0.15 -0.29 0.00 0.31 0.00 0.00 61.69 62.02 1d9k s THR 172 Cb -0.12 -0.87 -0.00 0.00 0.01 0.00 0.00 72.50 71.53 1d9k s THR 172 CO 0.20 0.31 1.10 0.00 -0.69 0.00 0.00 174.62 175.54 1d9k s HIS 174 N 3.05 3.55 -0.09 0.00 5.04 0.93 -2.19 115.29 125.58 1d9k s HIS 174 Ca 0.48 0.65 -0.01 0.00 -1.54 0.00 0.00 55.06 54.64 1d9k s HIS 174 Cb -0.18 -2.23 0.03 0.00 0.04 0.00 0.00 32.58 30.24 1d9k s HIS 174 CO 0.11 0.44 -0.03 0.08 -2.34 0.00 0.00 174.74 173.00 1d9k s VAL 175 N -0.22 0.67 -0.11 0.89 1.01 0.10 -1.10 120.40 121.65 1d9k s VAL 175 Ca 0.17 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1d9k s VAL 175 Cb -0.13 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1d9k s VAL 175 CO 0.06 0.31 -0.14 -1.61 0.00 0.00 0.00 175.10 173.71 1d9k s GLU 176 N 1.82 3.17 -0.27 2.72 2.02 -0.12 -1.12 118.70 126.92 1d9k s GLU 176 Ca 0.05 -0.70 -0.25 0.00 0.02 0.00 0.00 54.97 54.09 1d9k s GLU 176 Cb -0.12 -2.56 0.08 0.00 0.10 0.00 0.00 34.13 31.63 1d9k s GLU 176 CO -0.06 0.30 0.77 -1.58 0.02 0.00 0.00 175.26 174.71 1d9k s HIS 177 N 0.11 -0.73 0.60 1.61 2.46 -1.26 -1.34 115.29 116.73 1d9k s HIS 177 Ca -0.06 1.77 0.30 0.00 0.47 0.00 0.00 55.06 57.53 1d9k s HIS 177 Cb -0.15 0.29 1.20 0.00 -0.13 0.00 0.00 32.58 33.79 1d9k s HIS 177 CO 0.05 -0.36 1.55 -1.00 -2.47 0.00 0.00 174.74 172.50 1d9k h PRO 178 N 4.80 0.00 -0.91 2.88 0.13 -1.94 0.11 132.00 137.08 1d9k h PRO 178 Ca -0.29 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.66 1d9k h PRO 178 Cb 1.16 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 1d9k h PRO 178 CO 0.07 0.00 0.24 -1.13 -0.23 0.00 0.00 178.00 176.95 1d9k n SER 179 N -3.48 3.55 -3.80 1.44 3.41 -1.26 -4.78 113.62 108.69 1d9k n SER 179 Ca 0.20 -2.78 -0.25 0.00 -0.26 0.00 0.00 58.87 55.78 1d9k n SER 179 Cb 1.26 -0.66 -0.17 0.00 -0.26 0.00 0.00 64.21 64.37 1d9k n SER 179 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1d9k s LEU 180 N -1.78 0.89 0.48 1.04 1.43 0.38 -4.63 118.68 116.50 1d9k s LEU 180 Ca 0.32 -0.30 0.13 0.00 -1.03 0.00 0.00 54.13 53.25 1d9k s LEU 180 Cb 0.26 -0.59 1.12 0.00 0.03 0.00 0.00 46.19 47.02 1d9k s LEU 180 CO 0.07 -0.20 2.11 0.50 0.23 0.00 0.00 176.35 179.06 1d9k h LYS 181 N 8.27 0.16 -2.72 1.70 3.64 -1.86 -3.41 116.57 122.34 1d9k h LYS 181 Ca -0.21 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.00 1d9k h LYS 181 Cb 1.12 -0.04 -0.29 0.00 -0.41 0.00 0.00 32.23 32.62 1d9k h LYS 181 CO 0.31 0.12 -0.41 -1.54 -2.27 0.00 0.00 179.45 175.67 1d9k s SER 182 N -6.95 -0.16 -0.00 4.20 1.04 -1.26 -5.13 113.70 105.44 1d9k s SER 182 Ca -0.06 0.79 -0.17 0.00 0.48 0.00 0.00 55.95 56.99 1d9k s SER 182 Cb 0.17 0.88 -0.08 0.00 0.10 0.00 0.00 66.02 67.09 1d9k s SER 182 CO 0.69 -0.21 0.45 -2.65 0.98 0.00 0.00 173.24 172.49 1d9k n PRO 183 N 4.91 0.00 -3.95 4.02 -0.02 -1.26 -4.92 135.00 133.77 1d9k n PRO 183 Ca -0.14 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 60.99 1d9k n PRO 183 Cb 0.52 -0.62 -0.06 0.00 -0.02 0.00 0.00 33.50 33.32 1d9k n PRO 183 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1d9k s ILE 184 N 0.03 5.30 -0.03 4.25 1.09 -0.28 -4.91 121.20 126.65 1d9k s ILE 184 Ca 0.38 -0.05 -0.05 0.00 -1.10 0.00 0.00 60.65 59.83 1d9k s ILE 184 Cb -0.53 -3.39 0.01 0.00 -1.06 0.00 0.00 42.46 37.50 1d9k s ILE 184 CO 0.24 0.47 0.12 0.42 -0.10 0.00 0.00 174.94 176.08 1d9k s THR 185 N -1.16 0.03 -0.16 2.92 -4.23 -1.26 0.02 115.64 111.81 1d9k s THR 185 Ca 0.21 -0.28 -0.01 0.00 -1.18 0.00 0.00 61.69 60.43 1d9k s THR 185 Cb -0.12 -0.27 0.04 0.00 1.34 0.00 0.00 72.50 73.49 1d9k s THR 185 CO 0.11 -0.15 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.33 1d9k s VAL 186 N -0.48 0.83 0.08 2.29 1.01 -0.93 -4.96 120.40 118.25 1d9k s VAL 186 Ca -0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1d9k s VAL 186 Cb -0.04 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.27 1d9k s VAL 186 CO 0.00 0.06 0.11 -0.62 0.00 0.00 0.00 175.10 174.66 1d9k n GLU 187 N 4.97 -0.21 0.00 2.72 1.02 -1.26 -0.98 120.64 126.89 1d9k n GLU 187 Ca -0.10 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 1d9k n GLU 187 Cb 0.48 -0.12 0.00 0.00 -0.02 0.00 0.00 31.44 31.78 1d9k n GLU 187 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1d9k n TRP 188 N -2.21 0.00 -2.67 -0.32 -0.00 0.18 -4.80 117.44 107.62 1d9k n TRP 188 Ca 0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.47 1d9k n TRP 188 Cb 0.05 0.00 0.07 0.00 -0.00 0.00 0.00 31.31 31.43 1d9k n TRP 188 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 177.69 175.56 1d9k n ARG 189 N 0.00 0.12 0.00 5.87 3.00 -1.26 -5.00 116.66 119.39 1d9k n ARG 189 Ca 0.00 -0.70 0.00 0.00 -0.00 0.00 0.00 57.85 57.15 1d9k n ARG 189 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 32.46 32.25 1d9k n ARG 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63