#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m s ARG 2 N 0.00 0.59 0.05 -0.52 3.52 -1.26 -2.05 118.95 119.29 1k9m s ARG 2 Ca 0.00 0.97 0.08 0.00 -0.13 0.00 0.00 55.73 56.65 1k9m s ARG 2 Cb 0.00 0.15 -0.03 0.00 -1.56 0.00 0.00 34.95 33.51 1k9m s ARG 2 CO 0.00 -0.12 -0.23 0.14 -0.81 0.00 0.00 175.30 174.29 1k9m s VAL 3 N 1.33 1.84 -0.12 7.11 -7.23 0.06 -4.99 120.40 118.41 1k9m s VAL 3 Ca -0.08 -1.32 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1k9m s VAL 3 Cb -0.05 -1.60 0.01 0.00 0.56 0.00 0.00 36.38 35.30 1k9m s VAL 3 CO -0.16 0.22 -0.20 -1.61 -0.31 0.00 0.00 175.10 173.05 1k9m s GLU 4 N -1.31 2.73 -0.35 4.82 2.02 -1.26 -1.82 118.70 123.53 1k9m s GLU 4 Ca 0.09 -0.76 -0.04 0.00 0.02 0.00 0.00 54.97 54.28 1k9m s GLU 4 Cb -0.09 -2.19 0.06 0.00 0.10 0.00 0.00 34.13 32.01 1k9m s GLU 4 CO 0.02 0.03 0.10 -0.51 0.02 0.00 0.00 175.26 174.92 1k9m s LEU 5 N 0.72 4.44 -0.14 1.80 1.43 -0.27 -4.95 118.68 121.71 1k9m s LEU 5 Ca -0.11 -1.42 -0.29 0.00 -1.03 0.00 0.00 54.13 51.28 1k9m s LEU 5 Cb -0.16 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1k9m s LEU 5 CO 0.02 -0.37 1.58 -1.61 0.23 0.00 0.00 176.35 176.20 1k9m s GLU 6 N 1.29 4.02 0.28 1.70 2.02 -1.26 -1.03 118.70 125.73 1k9m s GLU 6 Ca -0.00 1.89 -0.29 0.00 0.02 0.00 0.00 54.97 56.58 1k9m s GLU 6 Cb -0.21 -3.97 -0.10 0.00 0.10 0.00 0.00 34.13 29.95 1k9m s GLU 6 CO -0.00 -1.02 1.10 -1.50 0.02 0.00 0.00 175.26 173.86 1k9m s ILE 7 N 4.46 3.49 0.37 -1.63 2.07 -0.72 -4.97 121.20 124.26 1k9m s ILE 7 Ca 0.70 1.50 -0.28 0.00 -1.41 0.00 0.00 60.65 61.16 1k9m s ILE 7 Cb -0.28 -3.95 -0.11 0.00 0.13 0.00 0.00 42.46 38.25 1k9m s ILE 7 CO 0.27 0.36 1.45 -2.84 -1.91 0.00 0.00 174.94 172.27 1k9m s PRO 8 N -1.44 4.15 0.47 3.50 0.02 -1.26 -4.90 135.00 135.53 1k9m s PRO 8 Ca 0.44 2.51 0.24 0.00 0.02 0.00 0.00 61.00 64.21 1k9m s PRO 8 Cb -0.32 -2.98 1.26 0.00 0.02 0.00 0.00 34.50 32.48 1k9m s PRO 8 CO 0.41 -0.48 1.85 1.05 -0.33 0.00 0.00 177.00 179.51 1k9m h GLU 9 N 3.06 0.22 0.00 5.54 4.11 -1.99 0.39 114.58 125.91 1k9m h GLU 9 Ca -0.51 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 58.88 1k9m h GLU 9 Cb 1.24 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1k9m h GLU 9 CO 0.64 0.15 -0.17 0.22 0.07 0.00 0.00 179.01 179.92 1k9m h ASP 10 N 0.23 0.00 -2.12 3.06 1.82 -1.98 -3.46 116.42 113.97 1k9m h ASP 10 Ca 0.47 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 56.60 1k9m h ASP 10 Cb 1.47 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.43 1k9m h ASP 10 CO -0.12 0.17 -0.53 -0.69 -1.61 0.00 0.00 179.24 176.46 1k9m s VAL 11 N -3.93 4.08 -0.04 2.25 1.01 0.14 -4.53 120.40 119.37 1k9m s VAL 11 Ca -0.01 -1.48 0.02 0.00 0.00 0.00 0.00 61.98 60.50 1k9m s VAL 11 Cb 0.12 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 33.25 1k9m s VAL 11 CO 0.60 -0.32 -0.07 -1.81 0.00 0.00 0.00 175.10 173.51 1k9m s ASP 12 N -3.84 1.14 -0.09 3.32 1.01 -0.83 -4.75 116.67 112.62 1k9m s ASP 12 Ca 0.34 -0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.43 1k9m s ASP 12 Cb -0.07 -0.50 0.02 0.00 1.01 0.00 0.00 42.92 43.38 1k9m s ASP 12 CO 0.24 -0.01 -0.07 0.00 0.21 0.00 0.00 175.17 175.54 1k9m s ALA 13 N 0.72 1.17 0.24 5.23 0.00 -1.26 -0.86 121.76 127.00 1k9m s ALA 13 Ca -0.11 -0.42 0.11 0.00 0.00 0.00 0.00 51.96 51.54 1k9m s ALA 13 Cb -0.14 -0.78 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 1k9m s ALA 13 CO 0.01 -0.29 -0.20 -2.00 0.00 0.00 0.00 175.76 173.28 1k9m s GLU 14 N 1.48 1.68 -0.29 0.00 2.12 -0.58 -4.91 118.70 118.20 1k9m s GLU 14 Ca 0.00 -1.64 -0.15 0.00 0.36 0.00 0.00 54.97 53.54 1k9m s GLU 14 Cb -0.13 -1.84 0.10 0.00 0.26 0.00 0.00 34.13 32.52 1k9m s GLU 14 CO -0.05 0.36 0.72 -1.14 -0.54 0.00 0.00 175.26 174.61 1k9m s GLN 15 N -3.20 0.64 -0.07 4.30 -0.44 -1.26 -1.09 119.66 118.54 1k9m s GLN 15 Ca 0.27 1.20 0.03 0.00 -2.50 0.00 0.00 55.36 54.36 1k9m s GLN 15 Cb -0.06 0.28 0.01 0.00 -1.64 0.00 0.00 33.01 31.59 1k9m s GLN 15 CO 0.14 -0.15 -0.17 0.16 0.50 0.00 0.00 175.29 175.76 1k9m s ASP 16 N 1.86 2.29 1.72 6.67 -4.77 -0.95 -4.87 116.67 118.62 1k9m s ASP 16 Ca -0.09 -0.40 0.00 0.00 -3.30 0.00 0.00 52.55 48.76 1k9m s ASP 16 Cb -0.06 -0.99 0.00 0.00 -1.09 0.00 0.00 42.92 40.77 1k9m s ASP 16 CO -0.19 0.10 0.00 1.41 0.70 0.00 0.00 175.17 177.18 1k9m n HIS 17 N 3.61 0.00 -0.02 2.11 8.25 -1.26 -2.27 115.22 125.64 1k9m n HIS 17 Ca -0.21 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.36 1k9m n HIS 17 Cb 0.52 0.00 0.29 0.00 1.12 0.00 0.00 29.99 31.92 1k9m n HIS 17 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1k9m n LEU 18 N 0.00 3.51 -4.52 2.41 4.77 -1.26 -4.92 117.00 116.99 1k9m n LEU 18 Ca 0.00 -1.71 -0.34 0.00 -0.03 0.00 0.00 56.01 53.93 1k9m n LEU 18 Cb 0.00 -0.40 -0.12 0.00 -2.33 0.00 0.00 43.42 40.57 1k9m n LEU 18 CO 0.00 0.85 -0.34 -1.81 -1.33 0.00 0.00 177.39 174.76 1k9m s ASP 19 N -1.10 4.86 -0.04 -1.43 1.01 -0.96 -1.16 116.67 117.85 1k9m s ASP 19 Ca 0.44 -0.10 0.06 0.00 0.71 0.00 0.00 52.55 53.65 1k9m s ASP 19 Cb 0.23 -1.76 -0.02 0.00 1.01 0.00 0.00 42.92 42.38 1k9m s ASP 19 CO 0.31 0.18 -0.20 -0.63 0.21 0.00 0.00 175.17 175.04 1k9m s ILE 20 N 0.27 2.55 -0.01 0.77 1.01 0.05 -2.23 121.20 123.61 1k9m s ILE 20 Ca -0.03 -0.91 0.06 0.00 0.00 0.00 0.00 60.65 59.77 1k9m s ILE 20 Cb -0.14 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 1k9m s ILE 20 CO 0.03 0.58 -0.18 -0.89 0.00 0.00 0.00 174.94 174.48 1k9m s THR 21 N -0.59 1.41 -0.08 2.92 2.01 -0.25 0.35 115.64 121.40 1k9m s THR 21 Ca 0.09 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.32 1k9m s THR 21 Cb -0.11 -1.18 0.01 0.00 0.01 0.00 0.00 72.50 71.24 1k9m s THR 21 CO 0.00 0.37 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.49 1k9m s VAL 22 N -0.45 1.21 -0.05 3.82 1.01 0.92 -1.53 120.40 125.32 1k9m s VAL 22 Ca 0.07 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.60 1k9m s VAL 22 Cb -0.07 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1k9m s VAL 22 CO -0.00 0.38 -0.21 -1.61 0.00 0.00 0.00 175.10 173.65 1k9m s GLU 23 N 0.83 2.20 0.31 2.72 2.02 -0.04 -0.29 118.70 126.46 1k9m s GLU 23 Ca -0.11 -0.77 0.05 0.00 0.02 0.00 0.00 54.97 54.16 1k9m s GLU 23 Cb -0.15 -1.88 -0.02 0.00 0.10 0.00 0.00 34.13 32.18 1k9m s GLU 23 CO 0.02 0.32 0.31 0.41 0.02 0.00 0.00 175.26 176.33 1k9m n GLY 24 N 3.04 2.78 0.31 -1.39 0.00 0.33 -1.96 105.19 108.31 1k9m n GLY 24 Ca -0.18 -1.80 0.19 0.00 0.00 0.00 0.00 46.02 44.23 1k9m n GLY 24 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k9m h ASP 25 N 1.87 0.00 0.53 1.61 3.32 -1.66 -1.32 116.42 120.77 1k9m h ASP 25 Ca -0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1k9m h ASP 25 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1k9m h ASP 25 CO 0.32 0.02 -0.55 -3.20 -1.72 0.00 0.00 179.24 174.11 1k9m n ASN 26 N -3.34 0.54 0.00 6.45 5.15 0.58 -5.03 115.26 119.61 1k9m n ASN 26 Ca -0.02 -0.22 0.00 0.00 -0.60 0.00 0.00 54.58 53.73 1k9m n ASN 26 Cb 0.14 0.28 0.00 0.00 -0.53 0.00 0.00 39.78 39.67 1k9m n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1k9m n GLY 27 N 1.48 0.30 3.18 8.20 0.00 -0.50 -4.76 105.19 113.09 1k9m n GLY 27 Ca 0.05 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 1k9m n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k9m s SER 28 N -4.00 -0.34 -0.04 1.61 1.04 -1.26 0.12 113.70 110.84 1k9m s SER 28 Ca 0.00 0.65 0.03 0.00 0.48 0.00 0.00 55.95 57.10 1k9m s SER 28 Cb 0.00 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.73 1k9m s SER 28 CO 0.00 -0.13 -0.11 -0.69 0.98 0.00 0.00 173.24 173.29 1k9m s VAL 29 N 0.61 0.97 -0.06 5.02 1.01 0.61 -4.93 120.40 123.62 1k9m s VAL 29 Ca -0.04 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.56 1k9m s VAL 29 Cb -0.05 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1k9m s VAL 29 CO -0.04 0.30 -0.23 -0.89 0.00 0.00 0.00 175.10 174.25 1k9m s THR 30 N 0.33 2.28 0.08 3.92 2.01 -1.26 -0.06 115.64 122.95 1k9m s THR 30 Ca -0.07 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 60.96 1k9m s THR 30 Cb -0.11 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 1k9m s THR 30 CO 0.02 0.57 -0.06 -0.13 -0.69 0.00 0.00 174.62 174.32 1k9m s ARG 31 N -0.26 0.76 -0.17 4.92 0.52 0.16 -4.96 118.95 119.92 1k9m s ARG 31 Ca -0.00 -1.25 -0.07 0.00 -0.52 0.00 0.00 55.73 53.89 1k9m s ARG 31 Cb -0.13 -0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.15 1k9m s ARG 31 CO 0.03 -0.02 0.05 0.50 0.02 0.00 0.00 175.30 175.87 1k9m s ARG 32 N -3.57 3.86 -0.55 3.54 3.52 -1.26 -0.77 118.95 123.73 1k9m s ARG 32 Ca 0.08 -0.36 0.04 0.00 -0.13 0.00 0.00 55.73 55.37 1k9m s ARG 32 Cb 0.04 -3.16 0.15 0.00 -1.56 0.00 0.00 34.95 30.42 1k9m s ARG 32 CO -0.05 0.32 0.35 -0.51 -0.81 0.00 0.00 175.30 174.61 1k9m s LEU 33 N 0.22 3.61 -0.25 -0.88 1.43 -0.31 -5.00 118.68 117.51 1k9m s LEU 33 Ca 0.03 -3.23 -0.02 0.00 -1.03 0.00 0.00 54.13 49.88 1k9m s LEU 33 Cb -0.12 -1.29 0.02 0.00 0.03 0.00 0.00 46.19 44.83 1k9m s LEU 33 CO 0.01 -0.18 -0.05 0.86 0.23 0.00 0.00 176.35 177.22 1k9m s TRP 34 N -0.49 3.05 -0.02 0.29 -0.00 -1.26 -4.90 118.94 115.61 1k9m s TRP 34 Ca 0.22 -1.46 -0.17 0.00 -0.00 0.00 0.00 56.10 54.70 1k9m s TRP 34 Cb -0.13 -2.07 0.03 0.00 -0.00 0.00 0.00 33.47 31.30 1k9m s TRP 34 CO -0.09 -0.70 0.36 -0.47 -0.00 0.00 0.00 176.95 176.04 1k9m s TYR 35 N 1.35 -0.25 -0.17 5.86 5.04 -1.26 -5.11 117.35 122.81 1k9m s TYR 35 Ca 0.01 0.39 -0.34 0.00 -2.44 0.00 0.00 57.07 54.69 1k9m s TYR 35 Cb -0.16 0.14 -0.11 0.00 0.35 0.00 0.00 41.96 42.18 1k9m s TYR 35 CO -0.04 -0.41 1.99 -2.30 -1.34 0.00 0.00 175.55 173.45 1k9m n PRO 36 N 1.27 1.87 -2.25 4.97 -0.02 -1.26 -2.69 135.00 136.88 1k9m n PRO 36 Ca -0.21 0.64 -0.19 0.00 -2.02 0.00 0.00 63.50 61.72 1k9m n PRO 36 Cb 0.56 -2.66 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 1k9m n PRO 36 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1k9m n ASP 37 N 7.99 -5.44 -4.24 2.55 8.00 -1.26 -5.00 116.55 119.14 1k9m n ASP 37 Ca 0.28 0.05 -0.34 0.00 0.71 0.00 0.00 54.79 55.48 1k9m n ASP 37 Cb 0.29 -4.51 -0.15 0.00 -0.02 0.00 0.00 41.12 36.74 1k9m n ASP 37 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1k9m s ILE 38 N -2.91 2.90 -0.18 0.53 1.01 -1.09 -4.19 121.20 117.27 1k9m s ILE 38 Ca 0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 60.65 59.92 1k9m s ILE 38 Cb 0.00 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1k9m s ILE 38 CO 0.00 0.47 0.07 -1.81 0.00 0.00 0.00 174.94 173.67 1k9m s ASP 39 N 1.41 5.72 -0.12 3.58 1.01 0.11 -4.67 116.67 123.70 1k9m s ASP 39 Ca 0.05 0.12 0.01 0.00 0.71 0.00 0.00 52.55 53.45 1k9m s ASP 39 Cb -0.14 -1.96 -0.01 0.00 1.01 0.00 0.00 42.92 41.82 1k9m s ASP 39 CO -0.07 0.19 -0.17 -0.69 0.21 0.00 0.00 175.17 174.65 1k9m s VAL 40 N 0.25 2.72 0.06 -1.27 1.01 -1.25 -1.84 120.40 120.08 1k9m s VAL 40 Ca 0.05 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 1k9m s VAL 40 Cb -0.12 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 34.14 1k9m s VAL 40 CO 0.00 0.53 0.17 -0.94 0.00 0.00 0.00 175.10 174.87 1k9m s SER 41 N 0.39 0.11 -0.50 3.32 1.04 -0.36 -4.96 113.70 112.74 1k9m s SER 41 Ca -0.13 -0.56 -0.12 0.00 0.48 0.00 0.00 55.95 55.63 1k9m s SER 41 Cb -0.16 0.31 0.12 0.00 0.10 0.00 0.00 66.02 66.38 1k9m s SER 41 CO 0.06 -0.64 0.41 -0.69 0.98 0.00 0.00 173.24 173.36 1k9m s VAL 42 N -3.30 4.65 -1.21 5.02 1.01 -1.26 0.45 120.40 125.77 1k9m s VAL 42 Ca 0.01 -1.65 -0.12 0.00 0.00 0.00 0.00 61.98 60.21 1k9m s VAL 42 Cb 0.02 -4.02 0.19 0.00 0.00 0.00 0.00 36.38 32.58 1k9m s VAL 42 CO -0.08 -0.81 1.46 -0.67 0.00 0.00 0.00 175.10 175.00 1k9m n ASP 43 N 5.06 5.29 0.00 3.32 2.03 0.14 -4.91 116.55 127.47 1k9m n ASP 43 Ca -0.11 -3.02 0.00 0.00 0.52 0.00 0.00 54.79 52.19 1k9m n ASP 43 Cb 0.40 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.28 1k9m n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k9m n GLY 44 N 3.62 0.50 0.05 0.27 0.00 -1.26 -2.04 105.19 106.33 1k9m n GLY 44 Ca 0.35 0.58 0.12 0.00 0.00 0.00 0.00 46.02 47.07 1k9m n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1k9m n ASP 45 N 5.66 0.72 -4.02 1.61 5.75 -1.26 -4.94 116.55 120.08 1k9m n ASP 45 Ca 0.00 -0.53 -0.14 0.00 -0.01 0.00 0.00 54.79 54.11 1k9m n ASP 45 Cb 0.00 0.38 -0.13 0.00 -1.03 0.00 0.00 41.12 40.35 1k9m n ASP 45 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1k9m s THR 46 N -2.91 0.49 -0.09 2.12 -4.23 -0.87 -1.76 115.64 108.39 1k9m s THR 46 Ca 0.13 -0.71 -0.15 0.00 -1.18 0.00 0.00 61.69 59.77 1k9m s THR 46 Cb 0.17 -0.50 -0.05 0.00 1.34 0.00 0.00 72.50 73.47 1k9m s THR 46 CO 0.70 -0.17 0.38 -0.69 -0.54 0.00 0.00 174.62 174.31 1k9m s VAL 47 N -0.84 5.18 -0.15 2.29 1.01 -0.19 0.24 120.40 127.94 1k9m s VAL 47 Ca -0.05 0.75 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 1k9m s VAL 47 Cb -0.07 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1k9m s VAL 47 CO 0.00 0.45 -0.12 -0.69 0.00 0.00 0.00 175.10 174.74 1k9m s VAL 48 N -0.13 3.00 -0.27 2.92 1.01 0.17 -1.11 120.40 125.99 1k9m s VAL 48 Ca 0.22 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 1k9m s VAL 48 Cb -0.15 -2.28 0.04 0.00 0.00 0.00 0.00 36.38 34.00 1k9m s VAL 48 CO 0.09 0.51 -0.06 -0.63 0.00 0.00 0.00 175.10 175.01 1k9m s ILE 49 N 0.65 2.69 0.04 2.22 1.01 -0.75 -1.22 121.20 125.84 1k9m s ILE 49 Ca -0.07 -1.34 -0.03 0.00 0.00 0.00 0.00 60.65 59.22 1k9m s ILE 49 Cb -0.15 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 1k9m s ILE 49 CO 0.02 0.02 0.02 -1.83 0.00 0.00 0.00 174.94 173.18 1k9m s GLU 50 N 1.23 0.56 -0.01 2.79 -1.05 -0.76 -0.76 118.70 120.70 1k9m s GLU 50 Ca -0.04 -0.95 -0.26 0.00 -0.15 0.00 0.00 54.97 53.56 1k9m s GLU 50 Cb -0.19 0.21 0.06 0.00 -0.44 0.00 0.00 34.13 33.77 1k9m s GLU 50 CO -0.04 -0.12 0.57 0.45 0.95 0.00 0.00 175.26 177.08 1k9m s SER 51 N -2.41 -0.52 0.00 0.83 0.15 -0.87 -0.71 113.70 110.17 1k9m s SER 51 Ca -0.01 0.45 0.30 0.00 0.70 0.00 0.00 55.95 57.39 1k9m s SER 51 Cb 0.02 0.49 1.40 0.00 -1.71 0.00 0.00 66.02 66.21 1k9m s SER 51 CO -0.07 -0.62 1.95 0.47 1.20 0.00 0.00 173.24 176.17 1k9m n ASP 52 N 0.80 0.44 -4.73 5.45 8.00 -1.26 -2.02 116.55 123.24 1k9m n ASP 52 Ca -0.19 -0.74 -0.30 0.00 0.71 0.00 0.00 54.79 54.26 1k9m n ASP 52 Cb 0.58 -0.07 -0.07 0.00 -0.02 0.00 0.00 41.12 41.54 1k9m n ASP 52 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1k9m s GLU 53 N -2.31 2.71 -0.03 -1.24 2.02 -1.26 -4.80 118.70 113.79 1k9m s GLU 53 Ca 0.34 -0.77 0.04 0.00 0.02 0.00 0.00 54.97 54.60 1k9m s GLU 53 Cb 0.21 -2.63 0.06 0.00 0.10 0.00 0.00 34.13 31.86 1k9m s GLU 53 CO 0.43 0.55 0.96 -0.40 0.02 0.00 0.00 175.26 176.82 1k9m n ASP 54 N 0.51 1.70 -4.76 -0.19 5.75 -1.26 -4.39 116.55 113.92 1k9m n ASP 54 Ca -0.10 -2.07 -0.35 0.00 -0.01 0.00 0.00 54.79 52.26 1k9m n ASP 54 Cb 0.52 -0.09 0.04 0.00 -1.03 0.00 0.00 41.12 40.55 1k9m n ASP 54 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1k9m s ASN 55 N -1.22 5.19 0.32 -1.12 2.20 -1.26 -4.70 114.94 114.35 1k9m s ASN 55 Ca 0.06 2.25 0.09 0.00 -0.94 0.00 0.00 52.86 54.32 1k9m s ASN 55 Cb 0.05 -2.58 0.93 0.00 -2.00 0.00 0.00 41.25 37.65 1k9m s ASN 55 CO 0.01 -1.58 1.64 0.00 -2.94 0.00 0.00 177.10 174.22 1k9m h ALA 56 N 0.65 1.62 -0.31 3.54 0.00 -1.99 0.58 119.26 123.37 1k9m h ALA 56 Ca -0.49 0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1k9m h ALA 56 Cb 1.28 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1k9m h ALA 56 CO 0.55 -0.57 0.04 0.87 0.00 0.00 0.00 179.25 180.14 1k9m h LYS 57 N 0.21 0.45 -0.00 0.00 1.57 -2.00 -1.33 116.57 115.48 1k9m h LYS 57 Ca 0.66 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 59.34 1k9m h LYS 57 Cb 1.46 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.70 1k9m h LYS 57 CO -0.67 0.45 -0.07 1.15 -0.57 0.00 0.00 179.45 179.74 1k9m h THR 58 N 0.44 1.61 -0.44 -0.16 2.02 -1.25 -2.96 112.91 112.18 1k9m h THR 58 Ca 0.10 -1.89 0.10 0.00 0.77 0.00 0.00 66.41 65.49 1k9m h THR 58 Cb 0.23 2.87 -0.02 0.00 -1.74 0.00 0.00 68.15 69.49 1k9m h THR 58 CO 0.00 0.50 0.30 0.24 0.37 0.00 0.00 175.52 176.93 1k9m h MET 59 N -0.72 0.13 -0.36 6.66 2.86 -1.25 0.42 114.93 122.68 1k9m h MET 59 Ca -0.01 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1k9m h MET 59 Cb 0.85 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1k9m h MET 59 CO 0.01 0.09 0.08 0.77 1.06 0.00 0.00 176.91 178.92 1k9m h SER 60 N 0.14 0.55 -0.01 1.22 0.02 -1.20 -2.16 113.55 112.11 1k9m h SER 60 Ca 0.20 -0.24 -0.20 0.00 -0.84 0.00 0.00 61.79 60.72 1k9m h SER 60 Cb 0.63 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1k9m h SER 60 CO -0.03 0.64 -0.71 0.74 -1.14 0.00 0.00 176.83 176.34 1k9m h THR 61 N 0.42 1.31 -0.33 -2.27 2.02 -0.96 -2.62 112.91 110.49 1k9m h THR 61 Ca 0.11 -1.98 0.06 0.00 0.77 0.00 0.00 66.41 65.37 1k9m h THR 61 Cb 0.31 1.96 -0.06 0.00 -1.74 0.00 0.00 68.15 68.62 1k9m h THR 61 CO 0.00 0.62 -0.05 0.40 0.37 0.00 0.00 175.52 176.86 1k9m h ILE 62 N 0.45 0.70 -0.19 3.11 2.04 -0.83 0.26 117.51 123.06 1k9m h ILE 62 Ca -0.03 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1k9m h ILE 62 Cb 1.31 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1k9m h ILE 62 CO 0.14 0.01 0.05 1.23 0.00 0.00 0.00 178.15 179.57 1k9m h GLY 63 N 0.03 0.28 0.95 5.37 0.00 -1.36 -1.31 103.07 107.02 1k9m h GLY 63 Ca 0.16 -0.12 -0.11 0.00 0.00 0.00 0.00 47.33 47.26 1k9m h GLY 63 CO -0.32 0.12 -0.23 -0.84 0.00 0.00 0.00 176.54 175.27 1k9m h THR 64 N 0.26 1.30 -0.34 4.70 2.02 -0.59 -2.40 112.91 117.86 1k9m h THR 64 Ca 0.07 -1.38 -0.02 0.00 0.77 0.00 0.00 66.41 65.85 1k9m h THR 64 Cb 0.10 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1k9m h THR 64 CO -0.00 0.44 0.14 -0.26 0.37 0.00 0.00 175.52 176.21 1k9m h PHE 65 N 0.42 0.52 0.00 3.16 0.05 -0.14 -1.46 116.94 119.49 1k9m h PHE 65 Ca 0.05 -0.04 0.01 0.00 3.82 0.00 0.00 57.97 61.82 1k9m h PHE 65 Cb 0.79 -0.16 -0.04 0.00 2.00 0.00 0.00 35.95 38.54 1k9m h PHE 65 CO 0.07 0.47 -0.35 0.37 -0.18 0.00 0.00 178.31 178.69 1k9m h GLN 66 N 0.41 -0.43 -0.25 1.51 4.15 -1.13 -0.10 115.11 119.27 1k9m h GLN 66 Ca 0.12 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.64 1k9m h GLN 66 Cb 0.17 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1k9m h GLN 66 CO -0.01 -0.28 0.21 0.77 -1.93 0.00 0.00 178.83 177.58 1k9m h SER 67 N -0.44 0.00 -0.48 -0.69 0.02 -1.36 -0.91 113.55 109.69 1k9m h SER 67 Ca 0.01 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1k9m h SER 67 Cb 0.47 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1k9m h SER 67 CO -0.23 0.00 -0.07 0.45 -1.14 0.00 0.00 176.83 175.83 1k9m h HIS 68 N 0.00 0.99 -0.07 3.45 3.86 0.04 -0.85 115.15 122.57 1k9m h HIS 68 Ca 0.12 -0.20 -0.04 0.00 -1.16 0.00 0.00 60.37 59.10 1k9m h HIS 68 Cb 0.54 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 1k9m h HIS 68 CO 0.00 0.96 -0.10 0.82 0.86 0.00 0.00 177.93 180.47 1k9m h ILE 69 N 0.74 1.39 -1.00 2.45 2.04 0.14 -2.32 117.51 120.94 1k9m h ILE 69 Ca 0.13 -1.31 0.06 0.00 1.00 0.00 0.00 64.86 64.73 1k9m h ILE 69 Cb 0.61 2.09 -0.07 0.00 -0.74 0.00 0.00 36.82 38.72 1k9m h ILE 69 CO 0.04 0.37 0.65 -0.33 0.00 0.00 0.00 178.15 178.87 1k9m h GLU 70 N -0.26 1.16 0.00 2.37 5.08 -1.22 0.19 114.58 121.90 1k9m h GLU 70 Ca 0.01 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1k9m h GLU 70 Cb 0.64 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1k9m h GLU 70 CO 0.02 0.77 -0.17 -0.91 -1.00 0.00 0.00 179.01 177.71 1k9m h ASN 71 N 1.19 0.00 0.21 1.42 4.21 -1.06 -0.89 115.58 120.65 1k9m h ASN 71 Ca 0.43 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.68 1k9m h ASN 71 Cb 0.13 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.35 1k9m h ASN 71 CO -0.16 0.17 -1.06 0.24 -1.29 0.00 0.00 177.43 175.33 1k9m h MET 72 N 0.00 0.54 -0.00 0.81 2.86 -0.13 -2.31 114.93 116.71 1k9m h MET 72 Ca -0.00 -0.63 0.02 0.00 -2.06 0.00 0.00 59.70 57.03 1k9m h MET 72 Cb 0.33 0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 1k9m h MET 72 CO 0.02 1.24 -0.14 0.74 1.06 0.00 0.00 176.91 179.84 1k9m h PHE 73 N 0.28 -0.36 -0.78 -0.22 0.05 -0.07 -2.02 116.94 113.84 1k9m h PHE 73 Ca -0.12 0.01 0.07 0.00 3.82 0.00 0.00 57.97 61.75 1k9m h PHE 73 Cb 1.72 0.16 -0.06 0.00 2.00 0.00 0.00 35.95 39.76 1k9m h PHE 73 CO 0.09 -0.21 0.45 1.25 -0.18 0.00 0.00 178.31 179.71 1k9m h HIS 74 N -0.23 0.83 -0.07 -0.55 2.76 -1.22 -2.83 115.15 113.84 1k9m h HIS 74 Ca 0.05 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.17 1k9m h HIS 74 Cb 0.30 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 1k9m h HIS 74 CO -0.20 0.38 -0.32 0.78 -1.30 0.00 0.00 177.93 177.27 1k9m h GLY 75 N 0.80 0.15 1.11 5.26 0.00 -0.82 0.31 103.07 109.89 1k9m h GLY 75 Ca 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1k9m h GLY 75 CO -0.20 0.11 -0.15 3.33 0.00 0.00 0.00 176.54 179.63 1k9m n VAL 76 N -4.12 0.00 0.00 4.60 0.24 -0.81 -3.44 118.33 114.80 1k9m n VAL 76 Ca -0.01 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1k9m n VAL 76 Cb 0.40 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.65 1k9m n VAL 76 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1k9m n THR 77 N -1.14 0.00 -0.00 3.34 -2.24 -1.03 -0.31 114.28 112.91 1k9m n THR 77 Ca 0.12 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.87 1k9m n THR 77 Cb 0.30 -0.19 0.23 0.00 -2.10 0.00 0.00 70.33 68.57 1k9m n THR 77 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1k9m h GLU 78 N 0.00 0.53 0.00 -0.78 5.08 -1.34 -3.41 114.58 114.66 1k9m h GLU 78 Ca 0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1k9m h GLU 78 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1k9m h GLU 78 CO 0.00 0.65 0.00 0.41 -1.00 0.00 0.00 179.01 179.07 1k9m n GLY 79 N -0.59 -0.65 3.24 -3.84 0.00 0.92 -4.98 105.19 99.29 1k9m n GLY 79 Ca 0.01 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 1k9m n GLY 79 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k9m s TRP 80 N -1.91 2.24 -0.01 1.61 0.52 -0.32 -4.67 118.94 116.41 1k9m s TRP 80 Ca 0.00 -0.64 0.00 0.00 0.02 0.00 0.00 56.10 55.49 1k9m s TRP 80 Cb 0.00 -1.47 0.01 0.00 -1.15 0.00 0.00 33.47 30.85 1k9m s TRP 80 CO 0.00 -0.19 -0.00 -1.21 0.02 0.00 0.00 176.95 175.57 1k9m s GLU 81 N -0.17 0.09 -0.05 4.98 2.02 -1.26 -1.33 118.70 122.98 1k9m s GLU 81 Ca -0.02 0.03 0.06 0.00 0.02 0.00 0.00 54.97 55.05 1k9m s GLU 81 Cb -0.13 -0.17 -0.02 0.00 0.10 0.00 0.00 34.13 33.92 1k9m s GLU 81 CO 0.03 -0.04 -0.23 0.71 0.02 0.00 0.00 175.26 175.75 1k9m s TYR 82 N 0.35 2.47 -0.11 1.61 1.51 0.14 -3.71 117.35 119.61 1k9m s TYR 82 Ca -0.03 -0.53 -0.03 0.00 -1.01 0.00 0.00 57.07 55.46 1k9m s TYR 82 Cb -0.05 -1.59 -0.03 0.00 -0.11 0.00 0.00 41.96 40.18 1k9m s TYR 82 CO -0.01 -0.09 0.03 0.20 -1.11 0.00 0.00 175.55 174.57 1k9m s GLY 83 N -0.37 1.91 0.12 0.71 0.00 -0.65 -0.11 107.32 108.92 1k9m s GLY 83 Ca 0.03 -0.77 0.04 0.00 0.00 0.00 0.00 44.72 44.02 1k9m s GLY 83 CO 0.02 -0.44 -0.11 1.06 0.00 0.00 0.00 173.10 173.64 1k9m s MET 84 N -0.70 0.96 -0.16 2.90 -1.94 0.39 0.19 119.30 120.95 1k9m s MET 84 Ca 0.11 -1.30 -0.01 0.00 -1.71 0.00 0.00 55.69 52.79 1k9m s MET 84 Cb -0.12 -0.61 0.04 0.00 2.01 0.00 0.00 34.83 36.15 1k9m s MET 84 CO 0.02 0.09 -0.02 -1.21 -0.01 0.00 0.00 175.02 173.89 1k9m s GLU 85 N -3.21 1.13 0.34 2.03 2.02 -0.30 -0.27 118.70 120.44 1k9m s GLU 85 Ca 0.11 -0.39 -0.27 0.00 0.02 0.00 0.00 54.97 54.43 1k9m s GLU 85 Cb -0.01 -1.86 -0.09 0.00 0.10 0.00 0.00 34.13 32.27 1k9m s GLU 85 CO 0.00 -0.46 1.14 0.54 0.02 0.00 0.00 175.26 176.51 1k9m s VAL 86 N 1.74 3.31 -0.13 2.63 0.11 -1.14 -2.52 120.40 124.38 1k9m s VAL 86 Ca 0.01 1.20 -0.10 0.00 -2.93 0.00 0.00 61.98 60.17 1k9m s VAL 86 Cb -0.15 -3.72 0.04 0.00 -1.53 0.00 0.00 36.38 31.02 1k9m s VAL 86 CO -0.07 0.20 0.34 0.12 -3.33 0.00 0.00 175.10 172.36 1k9m s PHE 87 N -1.31 -0.42 0.03 1.54 5.36 -0.62 -4.92 117.98 117.64 1k9m s PHE 87 Ca 0.51 0.99 -0.06 0.00 -0.96 0.00 0.00 56.93 57.40 1k9m s PHE 87 Cb -0.31 0.15 -0.01 0.00 -0.34 0.00 0.00 43.02 42.51 1k9m s PHE 87 CO 0.40 -0.23 0.11 1.52 -1.46 0.00 0.00 175.22 175.55 1k9m s TYR 88 N 0.69 0.17 -0.17 10.12 -0.85 -1.26 -0.99 117.35 125.07 1k9m s TYR 88 Ca -0.04 -0.43 0.06 0.00 -0.52 0.00 0.00 57.07 56.14 1k9m s TYR 88 Cb -0.05 -0.12 -0.14 0.00 0.38 0.00 0.00 41.96 42.02 1k9m s TYR 88 CO -0.05 -0.35 -0.07 -1.13 -1.52 0.00 0.00 175.55 172.43 1k9m n SER 89 N 0.89 2.10 0.00 -0.18 3.41 -1.26 -4.91 113.62 113.68 1k9m n SER 89 Ca -0.20 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1k9m n SER 89 Cb 0.58 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 1k9m n SER 89 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1k9m n HIS 90 N -2.83 0.00 -3.32 7.33 -0.00 -1.26 -5.03 115.22 110.12 1k9m n HIS 90 Ca -0.29 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.04 1k9m n HIS 90 Cb 0.90 0.13 -0.07 0.00 -0.00 0.00 0.00 29.99 30.94 1k9m n HIS 90 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1k9m s PHE 91 N -1.91 3.35 -0.28 1.57 0.40 -1.26 -5.00 117.98 114.84 1k9m s PHE 91 Ca 0.00 0.66 -0.28 0.00 -0.60 0.00 0.00 56.93 56.71 1k9m s PHE 91 Cb 0.00 -2.60 -0.03 0.00 0.51 0.00 0.00 43.02 40.90 1k9m s PHE 91 CO 0.00 -0.09 1.93 -2.14 0.70 0.00 0.00 175.22 175.62 1k9m s PRO 92 N 1.59 3.30 0.12 0.24 0.02 -1.26 -4.76 135.00 134.25 1k9m s PRO 92 Ca 0.21 1.65 -0.30 0.00 0.02 0.00 0.00 61.00 62.57 1k9m s PRO 92 Cb -0.15 -4.25 -0.06 0.00 0.02 0.00 0.00 34.50 30.06 1k9m s PRO 92 CO 0.09 -1.90 1.04 1.41 -0.33 0.00 0.00 177.00 177.31 1k9m s MET 93 N 5.82 4.61 -0.27 5.54 1.75 -1.26 -4.80 119.30 130.69 1k9m s MET 93 Ca 0.86 1.58 -0.00 0.00 -1.25 0.00 0.00 55.69 56.88 1k9m s MET 93 Cb -0.26 -3.35 0.04 0.00 2.84 0.00 0.00 34.83 34.11 1k9m s MET 93 CO 0.34 0.08 -0.05 -0.65 -0.65 0.00 0.00 175.02 174.08 1k9m s GLN 94 N 0.11 2.52 -0.34 4.11 -0.21 -0.71 -4.98 119.66 120.17 1k9m s GLN 94 Ca 0.50 -1.18 -0.08 0.00 0.02 0.00 0.00 55.36 54.61 1k9m s GLN 94 Cb -0.26 -3.02 0.02 0.00 1.00 0.00 0.00 33.01 30.75 1k9m s GLN 94 CO 0.31 -0.53 0.14 0.08 -2.12 0.00 0.00 175.29 173.17 1k9m s VAL 95 N 1.24 4.16 0.18 1.09 1.01 -1.26 -0.34 120.40 126.48 1k9m s VAL 95 Ca -0.04 -0.87 0.10 0.00 0.00 0.00 0.00 61.98 61.17 1k9m s VAL 95 Cb -0.19 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1k9m s VAL 95 CO -0.04 -0.11 -0.20 0.20 0.00 0.00 0.00 175.10 174.95 1k9m s ASN 96 N 1.50 2.97 -0.28 3.32 -0.87 0.10 -4.97 114.94 116.70 1k9m s ASN 96 Ca 0.01 -0.87 -0.10 0.00 -1.57 0.00 0.00 52.86 50.33 1k9m s ASN 96 Cb -0.19 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.25 40.82 1k9m s ASN 96 CO 0.04 0.02 0.15 -0.69 -2.57 0.00 0.00 177.10 174.05 1k9m s VAL 97 N -1.95 4.83 -0.24 1.60 1.01 -1.26 0.94 120.40 125.33 1k9m s VAL 97 Ca 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 1k9m s VAL 97 Cb -0.06 -3.35 0.07 0.00 0.00 0.00 0.00 36.38 33.04 1k9m s VAL 97 CO 0.08 0.21 0.04 -1.61 0.00 0.00 0.00 175.10 173.82 1k9m s GLU 98 N 1.68 0.80 5.46 2.72 2.02 -0.73 -4.95 118.70 125.70 1k9m s GLU 98 Ca 0.06 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.36 1k9m s GLU 98 Cb -0.16 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 31.94 1k9m s GLU 98 CO 0.08 -0.74 0.00 0.41 0.02 0.00 0.00 175.26 175.02 1k9m n GLY 99 N 4.94 0.95 1.34 -1.39 0.00 -1.26 -3.48 105.19 106.29 1k9m n GLY 99 Ca -0.07 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 1k9m n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k9m n ASP 100 N 6.28 3.15 -3.71 1.61 8.00 -1.26 -4.98 116.55 125.65 1k9m n ASP 100 Ca 0.00 -3.80 -0.14 0.00 0.71 0.00 0.00 54.79 51.56 1k9m n ASP 100 Cb 0.00 -0.61 -0.09 0.00 -0.02 0.00 0.00 41.12 40.40 1k9m n ASP 100 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1k9m s GLU 101 N -3.35 0.60 -0.08 -1.24 -1.05 -1.23 -0.42 118.70 111.92 1k9m s GLU 101 Ca 0.47 0.53 -0.22 0.00 -0.15 0.00 0.00 54.97 55.59 1k9m s GLU 101 Cb 0.41 0.29 -0.04 0.00 -0.44 0.00 0.00 34.13 34.35 1k9m s GLU 101 CO -0.00 -0.10 0.66 0.54 0.95 0.00 0.00 175.26 177.31 1k9m s VAL 102 N -0.03 5.07 -0.08 1.83 0.11 -0.93 -1.77 120.40 124.59 1k9m s VAL 102 Ca -0.02 1.34 -0.01 0.00 -2.93 0.00 0.00 61.98 60.36 1k9m s VAL 102 Cb -0.03 -4.00 -0.03 0.00 -1.53 0.00 0.00 36.38 30.79 1k9m s VAL 102 CO 0.02 0.26 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.32 1k9m s VAL 103 N 0.83 4.03 -0.10 2.04 1.01 0.27 -2.72 120.40 125.76 1k9m s VAL 103 Ca 0.35 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1k9m s VAL 103 Cb -0.17 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1k9m s VAL 103 CO 0.16 0.59 -0.22 -0.63 0.00 0.00 0.00 175.10 175.00 1k9m s ILE 104 N -0.74 1.95 0.20 2.22 1.01 0.19 0.02 121.20 126.05 1k9m s ILE 104 Ca 0.11 -0.95 0.11 0.00 0.00 0.00 0.00 60.65 59.92 1k9m s ILE 104 Cb -0.11 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 1k9m s ILE 104 CO 0.02 0.54 -0.22 -1.61 0.00 0.00 0.00 174.94 173.67 1k9m s GLU 105 N 0.45 1.46 -1.50 2.79 2.02 0.54 -0.24 118.70 124.21 1k9m s GLU 105 Ca -0.17 -1.52 -0.06 0.00 0.02 0.00 0.00 54.97 53.23 1k9m s GLU 105 Cb -0.17 -1.66 0.01 0.00 0.10 0.00 0.00 34.13 32.41 1k9m s GLU 105 CO 0.07 0.35 0.77 -1.71 0.02 0.00 0.00 175.26 174.75 1k9m n ASN 106 N 0.14 -6.03 -4.70 -0.19 4.05 -1.21 -1.74 115.26 105.58 1k9m n ASN 106 Ca -0.12 -0.38 -0.42 0.00 0.45 0.00 0.00 54.58 54.11 1k9m n ASN 106 Cb 0.57 -4.84 -0.03 0.00 1.23 0.00 0.00 39.78 36.71 1k9m n ASN 106 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 1k9m s PHE 107 N -3.21 3.21 -0.74 1.20 5.36 -1.26 -2.77 117.98 119.78 1k9m s PHE 107 Ca 0.40 1.12 -0.02 0.00 -0.96 0.00 0.00 56.93 57.47 1k9m s PHE 107 Cb -0.18 -3.51 0.01 0.00 -0.34 0.00 0.00 43.02 39.00 1k9m s PHE 107 CO 0.49 -1.71 0.07 1.28 -1.46 0.00 0.00 175.22 173.90 1k9m n LEU 108 N 4.59 -0.80 0.00 6.12 4.32 -1.26 0.33 117.00 130.31 1k9m n LEU 108 Ca 0.11 0.20 0.00 0.00 -0.02 0.00 0.00 56.01 56.29 1k9m n LEU 108 Cb 0.45 -1.74 0.00 0.00 -1.62 0.00 0.00 43.42 40.51 1k9m n LEU 108 CO 0.57 -0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.30 1k9m n GLY 109 N -0.75 1.52 3.63 -0.72 0.00 -1.11 -5.01 105.19 102.75 1k9m n GLY 109 Ca -0.07 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.49 1k9m n GLY 109 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k9m n GLU 110 N -2.00 1.69 0.11 1.61 1.02 0.15 -4.90 120.64 118.32 1k9m n GLU 110 Ca 0.00 0.60 -0.20 0.00 -0.02 0.00 0.00 57.16 57.54 1k9m n GLU 110 Cb 0.00 -2.16 -0.15 0.00 -0.02 0.00 0.00 31.44 29.11 1k9m n GLU 110 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1k9m h LYS 111 N 3.49 0.37 -5.94 3.49 1.57 -1.95 -3.21 116.57 114.39 1k9m h LYS 111 Ca -0.44 -0.64 -0.59 0.00 -1.87 0.00 0.00 60.65 57.11 1k9m h LYS 111 Cb 1.31 0.24 -0.07 0.00 0.08 0.00 0.00 32.23 33.78 1k9m h LYS 111 CO 0.71 1.29 0.64 0.00 -0.57 0.00 0.00 179.45 181.52 1k9m s ALA 112 N -2.63 3.67 0.41 3.86 0.00 -1.26 -4.84 121.76 120.97 1k9m s ALA 112 Ca -0.07 0.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.65 1k9m s ALA 112 Cb 0.06 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.66 1k9m s ALA 112 CO 0.90 -0.98 1.43 -2.14 0.00 0.00 0.00 175.76 174.97 1k9m s PRO 113 N 3.01 3.93 -0.13 0.00 0.02 -1.26 -4.81 135.00 135.77 1k9m s PRO 113 Ca 0.40 2.44 -0.05 0.00 0.02 0.00 0.00 61.00 63.81 1k9m s PRO 113 Cb -0.15 -2.82 -0.04 0.00 0.02 0.00 0.00 34.50 31.51 1k9m s PRO 113 CO 0.07 -0.63 0.06 1.03 -0.33 0.00 0.00 177.00 177.20 1k9m s ARG 114 N -2.24 3.44 0.22 5.54 0.52 0.66 -4.95 118.95 122.15 1k9m s ARG 114 Ca 0.56 -0.31 -0.04 0.00 -0.52 0.00 0.00 55.73 55.42 1k9m s ARG 114 Cb -0.44 -3.04 -0.03 0.00 0.52 0.00 0.00 34.95 31.96 1k9m s ARG 114 CO 0.58 0.58 0.23 -0.98 0.02 0.00 0.00 175.30 175.73 1k9m s ARG 115 N -0.50 1.32 -0.01 3.54 1.70 -1.26 0.56 118.95 124.30 1k9m s ARG 115 Ca 0.10 -1.55 -0.24 0.00 -0.47 0.00 0.00 55.73 53.56 1k9m s ARG 115 Cb -0.12 0.33 0.05 0.00 -0.57 0.00 0.00 34.95 34.64 1k9m s ARG 115 CO 0.02 -0.47 0.54 -0.08 -1.08 0.00 0.00 175.30 174.23 1k9m s THR 116 N -4.07 0.02 -0.18 4.99 -1.32 -1.10 -5.03 115.64 108.95 1k9m s THR 116 Ca 0.35 -0.19 -0.12 0.00 -1.21 0.00 0.00 61.69 60.51 1k9m s THR 116 Cb 0.05 -0.89 -0.05 0.00 -1.51 0.00 0.00 72.50 70.10 1k9m s THR 116 CO 0.12 -0.11 0.23 -0.89 -2.21 0.00 0.00 174.62 171.77 1k9m s THR 117 N -1.57 5.34 0.35 5.08 2.01 -1.26 -2.19 115.64 123.40 1k9m s THR 117 Ca -0.10 0.41 -0.28 0.00 0.31 0.00 0.00 61.69 62.03 1k9m s THR 117 Cb -0.02 -3.57 -0.11 0.00 0.01 0.00 0.00 72.50 68.81 1k9m s THR 117 CO 0.05 0.39 1.39 -0.63 -0.69 0.00 0.00 174.62 175.14 1k9m s ILE 118 N 0.53 2.40 -0.15 1.82 1.01 0.44 -4.96 121.20 122.29 1k9m s ILE 118 Ca 0.13 0.41 -0.20 0.00 0.00 0.00 0.00 60.65 60.99 1k9m s ILE 118 Cb -0.12 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 1k9m s ILE 118 CO 0.02 0.10 0.57 -1.00 0.00 0.00 0.00 174.94 174.63 1k9m s HIS 119 N -1.13 3.45 0.00 3.97 3.76 -1.26 -4.92 115.29 119.15 1k9m s HIS 119 Ca 0.51 0.93 0.00 0.00 -0.15 0.00 0.00 55.06 56.35 1k9m s HIS 119 Cb -0.43 -2.70 0.00 0.00 1.11 0.00 0.00 32.58 30.56 1k9m s HIS 119 CO 0.58 -0.02 0.00 0.41 -0.85 0.00 0.00 174.74 174.86 1k9m n GLY 120 N 3.55 1.23 2.25 -2.22 0.00 -1.26 -3.20 105.19 105.54 1k9m n GLY 120 Ca -0.04 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 1k9m n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k9m n ASP 121 N -2.70 6.23 -4.75 1.61 8.00 -1.26 -4.91 116.55 118.78 1k9m n ASP 121 Ca 0.00 -3.03 -0.37 0.00 0.71 0.00 0.00 54.79 52.10 1k9m n ASP 121 Cb 0.00 -1.22 -0.06 0.00 -0.02 0.00 0.00 41.12 39.81 1k9m n ASP 121 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1k9m s THR 122 N -1.64 5.20 -0.22 -3.53 2.01 -1.19 -4.61 115.64 111.66 1k9m s THR 122 Ca 0.52 0.79 -0.10 0.00 0.31 0.00 0.00 61.69 63.21 1k9m s THR 122 Cb 0.33 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 1k9m s THR 122 CO -0.13 0.40 0.13 -1.81 -0.69 0.00 0.00 174.62 172.51 1k9m s ASP 123 N 0.25 6.00 -0.60 3.53 1.01 0.12 -4.91 116.67 122.07 1k9m s ASP 123 Ca 0.22 0.12 0.01 0.00 0.71 0.00 0.00 52.55 53.60 1k9m s ASP 123 Cb -0.15 -2.07 0.15 0.00 1.01 0.00 0.00 42.92 41.87 1k9m s ASP 123 CO 0.09 0.11 0.38 -0.69 0.21 0.00 0.00 175.17 175.27 1k9m s VAL 124 N 0.78 3.22 -0.17 -1.27 1.01 -1.26 -0.86 120.40 121.86 1k9m s VAL 124 Ca 0.07 -3.24 -0.19 0.00 0.00 0.00 0.00 61.98 58.61 1k9m s VAL 124 Cb -0.13 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1k9m s VAL 124 CO 0.02 -0.86 0.55 -1.61 0.00 0.00 0.00 175.10 173.20 1k9m s GLU 125 N -0.31 4.26 -0.15 2.72 2.02 -0.83 -4.91 118.70 121.48 1k9m s GLU 125 Ca 0.18 0.51 -0.01 0.00 0.02 0.00 0.00 54.97 55.67 1k9m s GLU 125 Cb -0.21 -3.52 -0.01 0.00 0.10 0.00 0.00 34.13 30.48 1k9m s GLU 125 CO -0.03 -0.07 -0.11 -1.50 0.02 0.00 0.00 175.26 173.57 1k9m s ILE 126 N 1.36 3.18 -0.29 -1.63 2.07 -1.26 -1.33 121.20 123.30 1k9m s ILE 126 Ca 0.27 -0.60 -0.01 0.00 -1.41 0.00 0.00 60.65 58.90 1k9m s ILE 126 Cb -0.16 -2.37 0.09 0.00 0.13 0.00 0.00 42.46 40.16 1k9m s ILE 126 CO 0.11 0.50 0.08 -0.62 -1.91 0.00 0.00 174.94 173.10 1k9m s ASP 127 N 0.57 3.87 1.69 4.50 -1.08 -0.04 -5.03 116.67 121.16 1k9m s ASP 127 Ca -0.07 -1.51 0.00 0.00 -0.52 0.00 0.00 52.55 50.46 1k9m s ASP 127 Cb -0.15 -0.84 0.00 0.00 -1.46 0.00 0.00 42.92 40.47 1k9m s ASP 127 CO 0.03 -0.39 0.00 0.61 0.52 0.00 0.00 175.17 175.94 1k9m n GLY 128 N 4.87 3.10 1.81 2.66 0.00 -1.26 -2.00 105.19 114.37 1k9m n GLY 128 Ca -0.03 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 1k9m n GLY 128 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k9m n GLU 129 N 13.38 3.31 -4.49 1.61 -0.58 -1.26 -4.87 120.64 127.74 1k9m n GLU 129 Ca 0.00 -2.56 -0.21 0.00 -0.42 0.00 0.00 57.16 53.97 1k9m n GLU 129 Cb 0.00 -2.07 -0.15 0.00 -0.57 0.00 0.00 31.44 28.65 1k9m n GLU 129 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1k9m s GLU 130 N -2.57 1.02 0.13 3.49 2.02 -0.85 -2.91 118.70 119.04 1k9m s GLU 130 Ca 0.46 -0.38 0.10 0.00 0.02 0.00 0.00 54.97 55.16 1k9m s GLU 130 Cb 0.37 -0.96 -0.04 0.00 0.10 0.00 0.00 34.13 33.60 1k9m s GLU 130 CO 0.11 0.19 -0.23 -0.51 0.02 0.00 0.00 175.26 174.84 1k9m s LEU 131 N -0.04 2.34 -0.10 1.80 1.43 0.63 -0.86 118.68 123.88 1k9m s LEU 131 Ca 0.00 -0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 52.32 1k9m s LEU 131 Cb -0.07 -1.03 0.04 0.00 0.03 0.00 0.00 46.19 45.16 1k9m s LEU 131 CO 0.00 0.10 0.06 0.28 0.23 0.00 0.00 176.35 177.02 1k9m s THR 132 N -1.30 0.05 -0.20 5.49 -1.32 -0.44 -0.46 115.64 117.45 1k9m s THR 132 Ca 0.12 0.10 -0.09 0.00 -1.21 0.00 0.00 61.69 60.61 1k9m s THR 132 Cb -0.09 -0.43 -0.05 0.00 -1.51 0.00 0.00 72.50 70.42 1k9m s THR 132 CO 0.06 0.02 0.11 -0.69 -2.21 0.00 0.00 174.62 171.91 1k9m s VAL 133 N 2.10 5.18 0.13 5.08 1.01 0.84 -1.97 120.40 132.76 1k9m s VAL 133 Ca 0.04 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 1k9m s VAL 133 Cb -0.14 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.88 1k9m s VAL 133 CO -0.06 0.43 0.29 -0.94 0.00 0.00 0.00 175.10 174.83 1k9m s SER 134 N 0.49 -0.01 0.00 3.32 1.04 -0.04 0.26 113.70 118.76 1k9m s SER 134 Ca 0.06 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1k9m s SER 134 Cb -0.12 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1k9m s SER 134 CO -0.00 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1k9m n GLY 135 N -0.17 -0.71 0.08 7.32 0.00 -0.44 0.11 105.19 111.38 1k9m n GLY 135 Ca -0.12 -1.16 0.11 0.00 0.00 0.00 0.00 46.02 44.85 1k9m n GLY 135 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1k9m n PRO 136 N -0.57 0.54 -3.21 1.61 -0.04 -1.26 -1.17 135.00 130.90 1k9m n PRO 136 Ca 0.00 0.05 -0.45 0.00 -0.04 0.00 0.00 63.50 63.07 1k9m n PRO 136 Cb 0.00 -1.74 -0.05 0.00 -0.04 0.00 0.00 33.50 31.67 1k9m n PRO 136 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1k9m s ASP 137 N -4.94 6.19 0.31 3.54 -1.08 -1.26 -4.33 116.67 115.09 1k9m s ASP 137 Ca -0.00 -1.44 0.01 0.00 -0.52 0.00 0.00 52.55 50.59 1k9m s ASP 137 Cb 0.11 -2.26 0.54 0.00 -1.46 0.00 0.00 42.92 39.85 1k9m s ASP 137 CO 0.80 -0.95 1.92 -0.29 0.52 0.00 0.00 175.17 177.18 1k9m h ILE 138 N 5.88 1.08 0.04 4.11 2.10 -1.87 -1.61 117.51 127.26 1k9m h ILE 138 Ca -0.29 -0.35 0.03 0.00 1.08 0.00 0.00 64.86 65.33 1k9m h ILE 138 Cb 1.10 -0.02 -0.05 0.00 -1.09 0.00 0.00 36.82 36.76 1k9m h ILE 138 CO 1.03 0.19 -0.35 -0.33 -1.08 0.00 0.00 178.15 177.61 1k9m h GLU 139 N 1.01 -0.51 -0.38 2.19 4.39 -1.99 0.22 114.58 119.52 1k9m h GLU 139 Ca 0.37 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.10 1k9m h GLU 139 Cb 0.16 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1k9m h GLU 139 CO -0.13 -0.34 0.22 0.00 -1.16 0.00 0.00 179.01 177.60 1k9m h ALA 140 N 0.13 0.48 -0.03 3.43 0.00 -1.77 -2.20 119.26 119.31 1k9m h ALA 140 Ca 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1k9m h ALA 140 Cb 0.59 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1k9m h ALA 140 CO -0.25 -0.01 0.01 0.28 0.00 0.00 0.00 179.25 179.28 1k9m h VAL 141 N 0.49 1.09 -0.96 0.00 2.07 -1.08 0.61 116.25 118.47 1k9m h VAL 141 Ca 0.13 -0.28 0.08 0.00 0.82 0.00 0.00 66.70 67.46 1k9m h VAL 141 Cb 0.03 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 1k9m h VAL 141 CO -0.02 0.08 0.60 1.23 0.02 0.00 0.00 177.57 179.48 1k9m h GLY 142 N -0.07 1.48 0.61 2.17 0.00 -0.49 -0.44 103.07 106.33 1k9m h GLY 142 Ca 0.01 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1k9m h GLY 142 CO -0.00 0.26 -0.16 1.46 0.00 0.00 0.00 176.54 178.10 1k9m h GLN 143 N 1.06 0.23 -0.69 4.80 1.08 -1.16 -1.63 115.11 118.81 1k9m h GLN 143 Ca 0.43 -0.16 0.13 0.00 -1.45 0.00 0.00 58.65 57.60 1k9m h GLN 143 Cb 0.26 0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 27.62 1k9m h GLN 143 CO -0.20 0.76 0.23 1.15 -0.95 0.00 0.00 178.83 179.81 1k9m h THR 144 N -0.26 0.65 0.04 -0.54 2.02 -0.45 1.09 112.91 115.47 1k9m h THR 144 Ca -0.00 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1k9m h THR 144 Cb 0.76 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1k9m h THR 144 CO 0.04 0.07 -0.02 0.00 0.37 0.00 0.00 175.52 175.97 1k9m h ALA 145 N 1.52 -0.06 -0.27 6.16 0.00 -1.06 -2.00 119.26 123.55 1k9m h ALA 145 Ca 0.37 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.26 1k9m h ALA 145 Cb 0.55 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1k9m h ALA 145 CO -0.40 -0.51 0.16 0.00 0.00 0.00 0.00 179.25 178.49 1k9m h ALA 146 N 0.85 0.33 -0.65 0.00 0.00 -0.07 -2.02 119.26 117.71 1k9m h ALA 146 Ca -0.01 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1k9m h ALA 146 Cb 0.09 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1k9m h ALA 146 CO 0.01 -0.23 0.36 -0.44 0.00 0.00 0.00 179.25 178.95 1k9m h ASP 147 N 0.32 0.53 -0.10 0.00 3.32 0.13 0.53 116.42 121.15 1k9m h ASP 147 Ca 0.10 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.22 1k9m h ASP 147 Cb -0.00 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 1k9m h ASP 147 CO -0.05 0.35 -0.17 0.40 -1.72 0.00 0.00 179.24 178.05 1k9m h ILE 148 N 0.67 0.56 -0.36 0.35 2.04 -0.85 0.66 117.51 120.58 1k9m h ILE 148 Ca 0.29 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.14 1k9m h ILE 148 Cb 0.17 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1k9m h ILE 148 CO -0.18 0.00 0.21 -0.08 0.00 0.00 0.00 178.15 178.11 1k9m h GLU 149 N -0.22 0.49 -0.72 2.37 4.81 -0.61 -1.81 114.58 118.88 1k9m h GLU 149 Ca 0.09 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1k9m h GLU 149 Cb 0.35 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 1k9m h GLU 149 CO -0.24 0.38 0.48 1.96 -0.73 0.00 0.00 179.01 180.86 1k9m h GLN 150 N 0.47 0.70 -0.72 1.92 1.08 0.95 -2.32 115.11 117.20 1k9m h GLN 150 Ca 0.13 -0.04 0.21 0.00 -1.45 0.00 0.00 58.65 57.49 1k9m h GLN 150 Cb 0.02 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 1k9m h GLN 150 CO -0.02 0.47 0.62 1.25 -0.95 0.00 0.00 178.83 180.20 1k9m h LEU 151 N 0.73 0.00 -3.58 1.46 5.85 0.12 0.39 115.31 120.28 1k9m h LEU 151 Ca 0.32 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.94 1k9m h LEU 151 Cb 0.30 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 1k9m h LEU 151 CO -0.11 0.00 0.11 0.35 -0.34 0.00 0.00 178.44 178.45 1k9m n THR 152 N -3.92 2.75 -2.02 1.05 -2.24 -0.87 -4.97 114.28 104.06 1k9m n THR 152 Ca 0.15 -1.66 -0.38 0.00 -2.27 0.00 0.00 64.05 59.89 1k9m n THR 152 Cb 0.89 -0.31 0.01 0.00 -2.10 0.00 0.00 70.33 68.82 1k9m n THR 152 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1k9m s ARG 153 N -2.90 3.60 -0.02 -0.78 3.52 0.14 -4.83 118.95 117.66 1k9m s ARG 153 Ca 0.52 2.06 0.00 0.00 -0.13 0.00 0.00 55.73 58.19 1k9m s ARG 153 Cb 0.41 -2.46 0.02 0.00 -1.56 0.00 0.00 34.95 31.37 1k9m s ARG 153 CO 0.13 -0.77 0.01 -1.50 -0.81 0.00 0.00 175.30 172.36 1k9m s ILE 154 N -1.37 0.11 -0.04 4.11 2.07 -1.26 -5.03 121.20 119.79 1k9m s ILE 154 Ca 0.64 0.10 0.03 0.00 -1.41 0.00 0.00 60.65 60.01 1k9m s ILE 154 Cb -0.36 -0.21 -0.04 0.00 0.13 0.00 0.00 42.46 41.98 1k9m s ILE 154 CO 0.44 0.12 0.00 0.59 -1.91 0.00 0.00 174.94 174.18 1k9m n ASN 155 N 4.02 4.06 -0.19 4.50 3.02 -1.26 -4.76 115.26 124.64 1k9m n ASN 155 Ca -0.26 -0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.28 1k9m n ASN 155 Cb 0.51 0.46 0.09 0.00 -0.61 0.00 0.00 39.78 40.23 1k9m n ASN 155 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1k9m h ASP 156 N 0.00 0.15 -1.07 6.41 2.03 -2.05 -3.45 116.42 118.44 1k9m h ASP 156 Ca -0.09 0.08 -0.64 0.00 -0.73 0.00 0.00 57.03 55.65 1k9m h ASP 156 Cb 1.20 0.08 -0.12 0.00 -0.83 0.00 0.00 39.33 39.66 1k9m h ASP 156 CO 0.00 0.10 -0.53 -0.54 -1.03 0.00 0.00 179.24 177.24 1k9m s LYS 157 N -6.11 2.11 -0.01 4.15 1.02 -1.26 -5.08 119.74 114.55 1k9m s LYS 157 Ca -0.13 -2.18 -0.30 0.00 0.02 0.00 0.00 55.97 53.38 1k9m s LYS 157 Cb 0.16 -1.67 -0.08 0.00 -0.52 0.00 0.00 37.83 35.72 1k9m s LYS 157 CO 0.74 -0.22 1.92 0.34 -0.92 0.00 0.00 175.35 177.21 1k9m s ASP 158 N -3.84 6.40 0.37 2.83 -1.08 -1.26 -4.89 116.67 115.20 1k9m s ASP 158 Ca 0.24 2.49 0.17 0.00 -0.52 0.00 0.00 52.55 54.94 1k9m s ASP 158 Cb 0.05 -2.53 0.70 0.00 -1.46 0.00 0.00 42.92 39.68 1k9m s ASP 158 CO 0.13 -1.12 1.76 0.58 0.52 0.00 0.00 175.17 177.04 1k9m h VAL 159 N 5.77 1.00 0.00 1.11 2.07 -1.90 -0.95 116.25 123.35 1k9m h VAL 159 Ca -0.46 -1.50 -0.04 0.00 0.82 0.00 0.00 66.70 65.52 1k9m h VAL 159 Cb 1.22 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 1k9m h VAL 159 CO 0.95 0.38 -0.20 0.03 0.02 0.00 0.00 177.57 178.75 1k9m h ARG 160 N 0.00 0.00 0.01 1.57 3.08 -2.01 -3.20 114.38 113.82 1k9m h ARG 160 Ca -0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.67 1k9m h ARG 160 Cb 0.85 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.84 1k9m h ARG 160 CO 0.05 0.20 -2.10 0.28 -1.07 0.00 0.00 179.97 177.33 1k9m n VAL 161 N -3.84 1.55 -3.13 2.04 0.31 -1.07 -4.69 118.33 109.49 1k9m n VAL 161 Ca -0.02 -0.31 -0.45 0.00 -0.01 0.00 0.00 64.34 63.55 1k9m n VAL 161 Cb 0.30 -1.87 -0.01 0.00 -0.91 0.00 0.00 33.84 31.34 1k9m n VAL 161 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1k9m s PHE 162 N -2.47 3.61 -2.80 3.52 0.40 -0.38 -4.83 117.98 115.04 1k9m s PHE 162 Ca -0.34 -1.97 0.25 0.00 -0.60 0.00 0.00 56.93 54.27 1k9m s PHE 162 Cb 0.11 -4.06 0.52 0.00 0.51 0.00 0.00 43.02 40.09 1k9m s PHE 162 CO 0.55 -1.22 1.44 1.04 0.70 0.00 0.00 175.22 177.74 1k9m n GLN 163 N 4.85 2.08 -1.12 0.44 6.02 -1.23 -4.57 117.38 123.85 1k9m n GLN 163 Ca 0.23 -1.57 -0.35 0.00 -0.01 0.00 0.00 57.00 55.30 1k9m n GLN 163 Cb 0.45 -1.47 0.08 0.00 1.02 0.00 0.00 30.24 30.33 1k9m n GLN 163 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1k9m n ASP 164 N 0.91 -1.64 0.00 1.08 9.92 -1.26 -4.90 116.55 120.65 1k9m n ASP 164 Ca 0.16 0.50 0.00 0.00 -0.53 0.00 0.00 54.79 54.92 1k9m n ASP 164 Cb 0.51 -1.19 0.00 0.00 -0.64 0.00 0.00 41.12 39.79 1k9m n ASP 164 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1k9m n GLY 165 N 1.68 2.71 3.75 0.44 0.00 -0.16 -4.98 105.19 108.64 1k9m n GLY 165 Ca 0.09 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 1k9m n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k9m s VAL 166 N -1.82 4.73 0.07 1.61 1.01 -1.26 -1.59 120.40 123.15 1k9m s VAL 166 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1k9m s VAL 166 Cb 0.00 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1k9m s VAL 166 CO 0.00 0.61 -0.09 -0.31 0.00 0.00 0.00 175.10 175.30 1k9m s TYR 167 N -0.92 0.92 -0.17 5.22 1.51 -1.05 -4.34 117.35 118.51 1k9m s TYR 167 Ca 0.14 -0.59 -0.29 0.00 -1.01 0.00 0.00 57.07 55.31 1k9m s TYR 167 Cb -0.12 -0.52 -0.03 0.00 -0.11 0.00 0.00 41.96 41.18 1k9m s TYR 167 CO 0.03 -0.04 1.55 0.42 -1.11 0.00 0.00 175.55 176.40 1k9m s ILE 168 N -1.97 3.78 -0.17 2.71 -1.09 -1.26 -1.15 121.20 122.04 1k9m s ILE 168 Ca -0.01 0.91 -0.02 0.00 -2.23 0.00 0.00 60.65 59.30 1k9m s ILE 168 Cb -0.06 -3.71 -0.22 0.00 -1.58 0.00 0.00 42.46 36.89 1k9m s ILE 168 CO -0.00 -0.22 0.14 0.41 -1.23 0.00 0.00 174.94 174.04 1k9m n THR 169 N 5.99 1.65 -3.93 2.92 -1.04 0.51 -4.92 114.28 115.46 1k9m n THR 169 Ca 0.17 -0.64 -0.20 0.00 -2.04 0.00 0.00 64.05 61.35 1k9m n THR 169 Cb 0.45 -1.55 -0.17 0.00 -1.82 0.00 0.00 70.33 67.24 1k9m n THR 169 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1k9m s ARG 170 N -2.54 0.55 -0.13 -2.82 0.52 -0.96 -4.94 118.95 108.63 1k9m s ARG 170 Ca -0.26 0.05 -0.09 0.00 -0.52 0.00 0.00 55.73 54.91 1k9m s ARG 170 Cb 0.08 -0.77 -0.04 0.00 0.52 0.00 0.00 34.95 34.73 1k9m s ARG 170 CO 0.71 -0.19 0.18 0.15 0.02 0.00 0.00 175.30 176.17 1k9m s LYS 171 N 1.39 3.71 0.00 3.54 1.02 -1.26 -1.63 119.74 126.51 1k9m s LYS 171 Ca -0.04 -0.07 0.00 0.00 0.02 0.00 0.00 55.97 55.88 1k9m s LYS 171 Cb -0.13 -3.26 0.02 0.00 -0.52 0.00 0.00 37.83 33.94 1k9m s LYS 171 CO -0.03 0.63 0.52 -0.35 -0.92 0.00 0.00 175.35 175.20