#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d9k s VAL 4 N 0.00 4.88 -0.08 0.00 1.01 -1.26 -2.02 120.40 122.93 1d9k s VAL 4 Ca 0.00 0.90 0.04 0.00 0.00 0.00 0.00 61.98 62.92 1d9k s VAL 4 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1d9k s VAL 4 CO 0.00 0.39 -0.21 -0.89 0.00 0.00 0.00 175.10 174.40 1d9k s THR 5 N -1.29 1.78 -0.55 3.92 2.01 0.18 -4.48 115.64 117.21 1d9k s THR 5 Ca 0.32 -0.87 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 1d9k s THR 5 Cb -0.16 -1.54 0.14 0.00 0.01 0.00 0.00 72.50 70.95 1d9k s THR 5 CO 0.18 0.50 0.34 -1.10 -0.69 0.00 0.00 174.62 173.84 1d9k s GLN 6 N 0.26 2.27 0.00 4.92 -1.52 -1.26 -1.89 119.66 122.44 1d9k s GLN 6 Ca -0.13 -2.40 0.00 0.00 -1.95 0.00 0.00 55.36 50.88 1d9k s GLN 6 Cb -0.16 -3.58 0.00 0.00 -0.22 0.00 0.00 33.01 29.05 1d9k s GLN 6 CO 0.06 -1.13 0.36 0.45 -0.25 0.00 0.00 175.29 174.78 1d9k n SER 7 N 3.61 0.00 -4.69 5.90 2.88 -1.25 -4.29 113.62 115.78 1d9k n SER 7 Ca 0.05 0.36 -0.39 0.00 -1.33 0.00 0.00 58.87 57.56 1d9k n SER 7 Cb 0.37 -0.02 -0.06 0.00 -0.75 0.00 0.00 64.21 63.76 1d9k n SER 7 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1d9k s PRO 8 N -1.09 4.28 0.14 -1.46 0.04 -1.26 -4.95 135.00 130.70 1d9k s PRO 8 Ca 0.00 0.56 0.06 0.00 0.04 0.00 0.00 61.00 61.66 1d9k s PRO 8 Cb 0.00 -3.51 -0.14 0.00 0.04 0.00 0.00 34.50 30.89 1d9k s PRO 8 CO 0.00 -0.05 1.31 0.00 0.04 0.00 0.00 177.00 178.30 1d9k h ARG 9 N 7.14 0.03 -4.48 4.56 2.47 -1.80 -3.43 114.38 118.87 1d9k h ARG 9 Ca -0.36 -0.05 -0.61 0.00 -1.26 0.00 0.00 59.98 57.69 1d9k h ARG 9 Cb 1.16 0.02 -0.37 0.00 -1.65 0.00 0.00 29.97 29.13 1d9k h ARG 9 CO 0.76 0.97 -0.80 1.21 0.56 0.00 0.00 179.97 182.67 1d9k s ASN 10 N -6.78 3.58 0.07 7.04 2.47 -1.26 -0.50 114.94 119.57 1d9k s ASN 10 Ca 0.00 -1.01 0.10 0.00 0.42 0.00 0.00 52.86 52.37 1d9k s ASN 10 Cb 0.10 -1.21 -0.03 0.00 -1.45 0.00 0.00 41.25 38.66 1d9k s ASN 10 CO 0.82 -0.18 -0.26 -0.54 -3.72 0.00 0.00 177.10 173.22 1d9k s LYS 11 N 1.39 1.60 0.06 0.43 -0.14 -0.15 -4.99 119.74 117.94 1d9k s LYS 11 Ca -0.03 -1.17 0.01 0.00 -1.36 0.00 0.00 55.97 53.42 1d9k s LYS 11 Cb -0.17 -1.87 -0.03 0.00 -1.68 0.00 0.00 37.83 34.07 1d9k s LYS 11 CO -0.07 0.47 -0.06 0.08 -0.76 0.00 0.00 175.35 175.01 1d9k s VAL 12 N -0.90 0.47 0.08 3.17 1.01 -1.26 -2.24 120.40 120.72 1d9k s VAL 12 Ca 0.12 -1.48 -0.26 0.00 0.00 0.00 0.00 61.98 60.36 1d9k s VAL 12 Cb -0.10 -1.09 0.08 0.00 0.00 0.00 0.00 36.38 35.27 1d9k s VAL 12 CO 0.03 -0.68 0.67 0.00 0.00 0.00 0.00 175.10 175.12 1d9k s ALA 13 N -2.63 -1.68 0.10 5.51 0.00 -0.72 -4.95 121.76 117.39 1d9k s ALA 13 Ca -0.00 0.77 -0.10 0.00 0.00 0.00 0.00 51.96 52.63 1d9k s ALA 13 Cb -0.01 0.58 -0.06 0.00 0.00 0.00 0.00 23.12 23.63 1d9k s ALA 13 CO -0.03 -0.66 0.43 0.08 0.00 0.00 0.00 175.76 175.57 1d9k s VAL 14 N -3.04 5.06 0.36 0.00 1.01 -1.26 0.69 120.40 123.22 1d9k s VAL 14 Ca -0.01 0.49 -0.26 0.00 0.00 0.00 0.00 61.98 62.20 1d9k s VAL 14 Cb -0.01 -3.66 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 1d9k s VAL 14 CO -0.07 0.26 0.98 0.41 0.00 0.00 0.00 175.10 176.68 1d9k n THR 15 N 0.82 2.17 -1.77 3.92 -1.04 -1.26 -2.21 114.28 114.91 1d9k n THR 15 Ca -0.07 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.05 61.35 1d9k n THR 15 Cb 0.52 -1.05 -0.02 0.00 -1.82 0.00 0.00 70.33 67.96 1d9k n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1d9k n GLY 16 N 1.23 0.46 3.07 3.41 0.00 -0.96 -4.79 105.19 107.61 1d9k n GLY 16 Ca 0.09 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 1d9k n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1d9k s GLY 17 N -2.74 1.09 0.37 -0.02 0.00 -0.94 -4.44 107.32 100.64 1d9k s GLY 17 Ca 0.00 -0.79 -0.25 0.00 0.00 0.00 0.00 44.72 43.68 1d9k s GLY 17 CO 0.00 0.22 0.96 1.17 0.00 0.00 0.00 173.10 175.45 1d9k n LYS 18 N 4.23 1.27 -3.64 2.90 4.81 -1.26 -2.90 118.16 123.57 1d9k n LYS 18 Ca -0.19 0.45 -0.10 0.00 -0.87 0.00 0.00 58.31 57.60 1d9k n LYS 18 Cb 0.51 -1.91 -0.07 0.00 0.02 0.00 0.00 35.03 33.58 1d9k n LYS 18 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1d9k s VAL 19 N -1.22 0.00 0.22 3.15 1.01 -0.26 -4.90 120.40 118.40 1d9k s VAL 19 Ca 0.61 0.00 0.10 0.00 0.00 0.00 0.00 61.98 62.69 1d9k s VAL 19 Cb -0.61 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1d9k s VAL 19 CO 0.58 0.00 -0.11 -0.89 0.00 0.00 0.00 175.10 174.68 1d9k s THR 20 N 1.01 3.00 -0.10 3.92 2.01 -1.26 -0.52 115.64 123.70 1d9k s THR 20 Ca -0.05 -1.92 0.01 0.00 0.31 0.00 0.00 61.69 60.04 1d9k s THR 20 Cb -0.05 -2.53 0.02 0.00 0.01 0.00 0.00 72.50 69.95 1d9k s THR 20 CO -0.10 -0.23 -0.11 -0.76 -0.69 0.00 0.00 174.62 172.73 1d9k s LEU 21 N -3.15 1.46 0.10 4.42 1.02 -0.26 -4.98 118.68 117.29 1d9k s LEU 21 Ca 0.27 -0.34 0.05 0.00 0.02 0.00 0.00 54.13 54.13 1d9k s LEU 21 Cb -0.07 -0.90 -0.04 0.00 0.02 0.00 0.00 46.19 45.19 1d9k s LEU 21 CO 0.16 -0.05 0.00 -0.94 0.02 0.00 0.00 176.35 175.54 1d9k s SER 22 N 1.26 5.03 0.13 2.29 1.04 -1.26 0.36 113.70 122.55 1d9k s SER 22 Ca -0.03 -0.19 0.06 0.00 0.48 0.00 0.00 55.95 56.28 1d9k s SER 22 Cb -0.14 -1.20 -0.04 0.00 0.10 0.00 0.00 66.02 64.75 1d9k s SER 22 CO -0.04 0.17 -0.14 0.00 0.98 0.00 0.00 173.24 174.21 1d9k s ASN 24 N -2.63 -0.28 -0.29 0.00 2.47 -0.79 -1.46 114.94 111.96 1d9k s ASN 24 Ca 0.11 0.44 -0.03 0.00 0.42 0.00 0.00 52.86 53.80 1d9k s ASN 24 Cb -0.04 0.54 0.11 0.00 -1.45 0.00 0.00 41.25 40.41 1d9k s ASN 24 CO 0.03 -0.23 0.18 0.00 -3.72 0.00 0.00 177.10 173.36 1d9k s GLN 25 N -0.37 0.23 0.27 0.43 -2.07 0.14 0.51 119.66 118.79 1d9k s GLN 25 Ca -0.05 -0.39 -0.30 0.00 -1.82 0.00 0.00 55.36 52.80 1d9k s GLN 25 Cb -0.03 -1.02 -0.10 0.00 -1.09 0.00 0.00 33.01 30.76 1d9k s GLN 25 CO 0.02 -1.01 1.40 0.99 -1.32 0.00 0.00 175.29 175.36 1d9k s THR 26 N 2.18 2.71 0.00 3.63 2.01 -0.86 -4.33 115.64 120.99 1d9k s THR 26 Ca 0.09 0.63 0.00 0.00 0.31 0.00 0.00 61.69 62.72 1d9k s THR 26 Cb -0.15 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 68.96 1d9k s THR 26 CO -0.35 0.11 0.00 0.59 -0.69 0.00 0.00 174.62 174.28 1d9k n ASN 27 N 1.94 -0.76 -4.45 3.53 3.02 -1.26 -3.23 115.26 114.06 1d9k n ASN 27 Ca 0.05 0.00 -0.48 0.00 -0.03 0.00 0.00 54.58 54.12 1d9k n ASN 27 Cb 0.41 -0.38 -0.08 0.00 -0.61 0.00 0.00 39.78 39.11 1d9k n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1d9k n ASN 28 N 0.00 1.68 -3.87 6.41 5.15 -1.26 -4.86 115.26 118.51 1d9k n ASN 28 Ca 0.00 0.25 -0.30 0.00 -0.60 0.00 0.00 54.58 53.93 1d9k n ASN 28 Cb 0.00 -1.21 -0.14 0.00 -0.53 0.00 0.00 39.78 37.89 1d9k n ASN 28 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1d9k s HIS 29 N 8.26 2.76 0.00 1.20 3.76 -1.26 -5.03 115.29 124.98 1d9k s HIS 29 Ca 1.14 -2.66 0.00 0.00 -0.15 0.00 0.00 55.06 53.39 1d9k s HIS 29 Cb -0.89 -2.40 0.00 0.00 1.11 0.00 0.00 32.58 30.40 1d9k s HIS 29 CO 0.47 -0.84 0.23 0.09 -0.85 0.00 0.00 174.74 173.84 1d9k n ASN 30 N 3.89 0.00 -4.85 1.40 3.02 -1.24 -4.40 115.26 113.08 1d9k n ASN 30 Ca 0.04 0.23 -0.36 0.00 -0.03 0.00 0.00 54.58 54.45 1d9k n ASN 30 Cb 0.37 -0.10 -0.06 0.00 -0.61 0.00 0.00 39.78 39.39 1d9k n ASN 30 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1d9k s ASN 31 N -2.53 6.69 0.54 6.41 6.03 -0.92 -4.49 114.94 126.66 1d9k s ASN 31 Ca 0.00 0.83 0.02 0.00 -1.03 0.00 0.00 52.86 52.68 1d9k s ASN 31 Cb 0.00 -2.20 0.02 0.00 -3.03 0.00 0.00 41.25 36.05 1d9k s ASN 31 CO 0.00 0.27 0.20 0.23 -2.03 0.00 0.00 177.10 175.77 1d9k n MET 32 N 1.44 0.71 -0.24 3.55 2.81 -0.94 -2.63 117.12 121.82 1d9k n MET 32 Ca -0.12 -3.64 0.00 0.00 -1.81 0.00 0.00 57.70 52.12 1d9k n MET 32 Cb 0.53 0.71 0.00 0.00 -0.71 0.00 0.00 33.22 33.75 1d9k n MET 32 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1d9k n TYR 33 N -1.53 0.00 -2.79 2.03 4.02 0.12 -2.70 117.16 116.30 1d9k n TYR 33 Ca -0.12 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.78 1d9k n TYR 33 Cb 0.65 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.97 1d9k n TYR 33 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1d9k s TRP 34 N -1.03 -0.48 0.63 -0.72 0.23 -1.20 -4.29 118.94 112.07 1d9k s TRP 34 Ca 0.00 0.04 0.06 0.00 -2.03 0.00 0.00 56.10 54.17 1d9k s TRP 34 Cb 0.00 0.09 0.10 0.00 0.03 0.00 0.00 33.47 33.69 1d9k s TRP 34 CO 0.00 -0.33 0.86 0.71 0.96 0.00 0.00 176.95 179.15 1d9k s TYR 35 N 1.82 1.46 -0.15 -1.98 2.02 0.91 -0.06 117.35 121.36 1d9k s TYR 35 Ca 0.16 -0.57 -0.04 0.00 -0.37 0.00 0.00 57.07 56.25 1d9k s TYR 35 Cb 0.04 -2.49 0.07 0.00 -0.40 0.00 0.00 41.96 39.18 1d9k s TYR 35 CO -0.14 -1.36 0.24 -0.98 -1.57 0.00 0.00 175.55 171.74 1d9k s ARG 36 N -4.84 0.15 -0.13 -0.62 1.70 -1.04 -1.90 118.95 112.27 1d9k s ARG 36 Ca 0.63 0.53 -0.29 0.00 -0.47 0.00 0.00 55.73 56.13 1d9k s ARG 36 Cb -0.06 -0.48 -0.01 0.00 -0.57 0.00 0.00 34.95 33.83 1d9k s ARG 36 CO 0.41 -0.43 1.08 -0.65 -1.08 0.00 0.00 175.30 174.63 1d9k s GLN 37 N 2.37 4.35 -0.25 3.89 -1.52 0.15 -4.49 119.66 124.17 1d9k s GLN 37 Ca 0.04 1.46 -0.04 0.00 -1.95 0.00 0.00 55.36 54.87 1d9k s GLN 37 Cb -0.13 -3.59 0.09 0.00 -0.22 0.00 0.00 33.01 29.16 1d9k s GLN 37 CO -0.10 -0.45 0.14 -0.51 -0.25 0.00 0.00 175.29 174.13 1d9k s ASP 38 N 1.27 2.81 -0.85 5.90 1.01 -1.21 -2.96 116.67 122.63 1d9k s ASP 38 Ca 0.49 -0.95 -0.26 0.00 0.71 0.00 0.00 52.55 52.54 1d9k s ASP 38 Cb -0.19 -0.16 -0.19 0.00 1.01 0.00 0.00 42.92 43.39 1d9k s ASP 38 CO 0.16 -0.40 2.53 0.41 0.21 0.00 0.00 175.17 178.08 1d9k n THR 39 N 5.27 -0.02 0.00 -1.27 -1.04 -1.26 0.08 114.28 116.04 1d9k n THR 39 Ca -0.06 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 1d9k n THR 39 Cb 0.45 -1.14 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 1d9k n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1d9k n GLY 40 N 6.26 2.22 2.70 3.41 0.00 -1.26 -5.05 105.19 113.47 1d9k n GLY 40 Ca 0.57 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 46.17 1d9k n GLY 40 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1d9k s HIS 41 N 0.00 0.16 0.41 1.61 0.00 0.11 -5.12 115.29 112.46 1d9k s HIS 41 Ca 0.00 0.17 -0.07 0.00 -3.00 0.00 0.00 55.06 52.16 1d9k s HIS 41 Cb 0.00 -0.50 0.10 0.00 -4.00 0.00 0.00 32.58 28.18 1d9k s HIS 41 CO 0.00 -0.20 0.34 0.41 -1.00 0.00 0.00 174.74 174.29 1d9k n GLY 42 N 5.10 -2.78 0.00 -1.38 0.00 -1.26 -3.36 105.19 101.51 1d9k n GLY 42 Ca -0.07 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1d9k n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1d9k n LEU 43 N 0.00 0.00 -2.90 0.99 4.32 -1.26 -4.77 117.00 113.38 1d9k n LEU 43 Ca 0.05 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 56.02 1d9k n LEU 43 Cb 0.19 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.98 1d9k n LEU 43 CO 0.13 0.00 -0.38 0.54 -1.22 0.00 0.00 177.39 176.47 1d9k n ARG 44 N -1.06 -2.46 -3.29 3.23 1.74 -1.26 -3.19 116.66 110.37 1d9k n ARG 44 Ca 0.00 2.07 -0.35 0.00 -0.77 0.00 0.00 57.85 58.80 1d9k n ARG 44 Cb 0.00 -2.84 -0.06 0.00 -1.02 0.00 0.00 32.46 28.54 1d9k n ARG 44 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1d9k s LEU 45 N -0.64 4.32 -0.34 0.55 0.20 -1.26 -2.51 118.68 119.01 1d9k s LEU 45 Ca -0.09 1.16 -0.00 0.00 0.69 0.00 0.00 54.13 55.89 1d9k s LEU 45 Cb 0.01 -3.39 0.11 0.00 -0.43 0.00 0.00 46.19 42.49 1d9k s LEU 45 CO 0.36 0.07 0.14 -0.63 -0.29 0.00 0.00 176.35 176.00 1d9k s ILE 46 N -1.51 0.84 0.27 6.68 1.01 0.91 -0.93 121.20 128.47 1d9k s ILE 46 Ca 0.40 -1.63 0.00 0.00 0.00 0.00 0.00 60.65 59.41 1d9k s ILE 46 Cb -0.15 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.69 1d9k s ILE 46 CO 0.20 -0.76 0.00 1.41 0.00 0.00 0.00 174.94 175.78 1d9k n HIS 47 N 4.51 -2.55 0.00 3.97 8.25 -1.26 -4.24 115.22 123.90 1d9k n HIS 47 Ca 0.01 1.30 0.00 0.00 -0.26 0.00 0.00 57.72 58.77 1d9k n HIS 47 Cb 0.40 -2.32 0.00 0.00 1.12 0.00 0.00 29.99 29.19 1d9k n HIS 47 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1d9k n TYR 48 N -3.45 0.00 -4.34 4.41 0.18 0.38 -3.24 117.16 111.10 1d9k n TYR 48 Ca -0.01 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.51 1d9k n TYR 48 Cb 0.46 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.32 1d9k n TYR 48 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1d9k s SER 49 N 0.00 3.94 -0.20 9.48 1.04 -1.10 0.05 113.70 126.91 1d9k s SER 49 Ca 0.00 -0.69 -0.21 0.00 0.48 0.00 0.00 55.95 55.53 1d9k s SER 49 Cb 0.00 -0.54 -0.20 0.00 0.10 0.00 0.00 66.02 65.38 1d9k s SER 49 CO 0.00 0.11 0.23 1.88 0.98 0.00 0.00 173.24 176.44 1d9k h TYR 50 N 3.03 0.03 -3.48 5.02 0.99 -1.87 -2.49 116.97 118.21 1d9k h TYR 50 Ca -0.47 -0.02 -0.20 0.00 2.00 0.00 0.00 58.73 60.04 1d9k h TYR 50 Cb 1.21 -0.00 -0.05 0.00 1.00 0.00 0.00 36.73 38.89 1d9k h TYR 50 CO 0.66 1.51 -0.17 0.41 -0.00 0.00 0.00 178.16 180.57 1d9k n GLY 51 N 1.47 3.73 0.42 3.88 0.00 -1.26 -2.17 105.19 111.26 1d9k n GLY 51 Ca -0.32 -1.92 -0.12 0.00 0.00 0.00 0.00 46.02 43.67 1d9k n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d9k h ALA 52 N 1.29 -0.63 -0.20 4.61 0.00 -1.86 -2.54 119.26 119.93 1d9k h ALA 52 Ca -0.11 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1d9k h ALA 52 Cb 0.45 1.27 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1d9k h ALA 52 CO 0.17 -0.98 0.00 0.41 0.00 0.00 0.00 179.25 178.85 1d9k n GLY 53 N -1.29 0.37 3.96 0.00 0.00 -1.26 -4.01 105.19 102.96 1d9k n GLY 53 Ca -0.00 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 1d9k n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1d9k s SER 54 N -1.47 6.32 -0.24 1.61 1.04 -0.96 -4.92 113.70 115.07 1d9k s SER 54 Ca 0.31 0.24 -0.10 0.00 0.48 0.00 0.00 55.95 56.88 1d9k s SER 54 Cb 0.17 -1.94 0.10 0.00 0.10 0.00 0.00 66.02 64.45 1d9k s SER 54 CO 0.25 -0.15 0.54 -0.89 0.98 0.00 0.00 173.24 173.97 1d9k s THR 55 N -2.09 -0.63 0.00 2.02 2.01 -1.26 -4.40 115.64 111.30 1d9k s THR 55 Ca 0.37 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.49 1d9k s THR 55 Cb -0.09 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 1d9k s THR 55 CO 0.32 0.03 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.50 1d9k s GLU 56 N 2.46 1.31 0.91 4.92 0.41 0.11 -4.97 118.70 123.86 1d9k s GLU 56 Ca -0.05 -0.68 -0.10 0.00 -0.41 0.00 0.00 54.97 53.72 1d9k s GLU 56 Cb -0.11 -1.30 0.14 0.00 -1.78 0.00 0.00 34.13 31.08 1d9k s GLU 56 CO -0.16 0.35 1.12 1.63 -0.49 0.00 0.00 175.26 177.71 1d9k n LYS 57 N 2.41 -0.42 0.00 1.61 5.02 -1.26 -0.47 118.16 125.06 1d9k n LYS 57 Ca -0.16 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 1d9k n LYS 57 Cb 0.54 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.19 1d9k n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1d9k n GLY 58 N 0.34 3.62 0.09 0.72 0.00 -1.26 -4.51 105.19 104.19 1d9k n GLY 58 Ca 0.12 -1.28 -0.07 0.00 0.00 0.00 0.00 46.02 44.79 1d9k n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1d9k n ASP 59 N 0.00 0.39 -2.14 1.61 8.00 -0.18 -4.30 116.55 119.93 1d9k n ASP 59 Ca 0.00 0.18 -0.28 0.00 0.71 0.00 0.00 54.79 55.40 1d9k n ASP 59 Cb 0.00 0.63 0.04 0.00 -0.02 0.00 0.00 41.12 41.77 1d9k n ASP 59 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1d9k n ILE 60 N -2.82 2.88 -0.10 0.53 5.41 -0.10 -5.02 119.36 120.14 1d9k n ILE 60 Ca -0.23 -3.85 0.00 0.00 1.00 0.00 0.00 62.75 59.68 1d9k n ILE 60 Cb 1.04 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.81 1d9k n ILE 60 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1d9k n PRO 61 N -0.76 -0.66 -2.04 0.38 -0.04 -1.26 -4.77 135.00 125.85 1d9k n PRO 61 Ca 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 1d9k n PRO 61 Cb 0.85 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.31 1d9k n PRO 61 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1d9k n ASP 62 N -1.86 -7.79 0.00 3.54 5.68 -1.26 -4.75 116.55 110.11 1d9k n ASP 62 Ca 0.00 1.38 0.00 0.00 -0.50 0.00 0.00 54.79 55.67 1d9k n ASP 62 Cb 0.00 -4.65 0.00 0.00 -1.14 0.00 0.00 41.12 35.33 1d9k n ASP 62 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1d9k n GLY 63 N 1.92 0.76 3.33 6.12 0.00 -1.26 -5.05 105.19 111.01 1d9k n GLY 63 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1d9k n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1d9k s TYR 65 N -2.00 1.37 -0.17 1.61 1.51 -1.26 -4.81 117.35 113.60 1d9k s TYR 65 Ca 0.00 -1.46 -0.19 0.00 -1.01 0.00 0.00 57.07 54.41 1d9k s TYR 65 Cb 0.00 -0.48 0.05 0.00 -0.11 0.00 0.00 41.96 41.42 1d9k s TYR 65 CO 0.00 -0.88 0.52 0.15 -1.11 0.00 0.00 175.55 174.23 1d9k s LYS 66 N -3.57 0.65 0.06 -0.62 1.02 -0.04 -4.99 119.74 112.25 1d9k s LYS 66 Ca 0.37 0.63 0.09 0.00 0.02 0.00 0.00 55.97 57.08 1d9k s LYS 66 Cb 0.03 0.31 -0.03 0.00 -0.52 0.00 0.00 37.83 37.62 1d9k s LYS 66 CO 0.21 -0.10 -0.24 0.00 -0.92 0.00 0.00 175.35 174.30 1d9k s ALA 67 N 0.07 2.04 -0.04 5.17 0.00 -1.26 0.16 121.76 127.89 1d9k s ALA 67 Ca -0.02 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1d9k s ALA 67 Cb -0.04 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.72 1d9k s ALA 67 CO 0.02 0.47 -0.01 0.45 0.00 0.00 0.00 175.76 176.68 1d9k s SER 68 N -1.37 0.75 -0.86 0.00 0.15 0.18 -4.92 113.70 107.64 1d9k s SER 68 Ca 0.10 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1d9k s SER 68 Cb -0.10 -0.31 0.24 0.00 -1.71 0.00 0.00 66.02 64.15 1d9k s SER 68 CO 0.03 -0.11 0.91 -1.14 1.20 0.00 0.00 173.24 174.12 1d9k n ARG 69 N 4.29 2.95 -0.00 5.44 0.00 -1.26 -1.18 116.66 126.90 1d9k n ARG 69 Ca -0.22 -4.55 0.22 0.00 -0.00 0.00 0.00 57.85 53.30 1d9k n ARG 69 Cb 0.50 -2.38 0.73 0.00 0.00 0.00 0.00 32.46 31.30 1d9k n ARG 69 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1d9k h PRO 70 N 5.35 0.00 0.00 -0.14 0.13 -1.74 -3.36 132.00 132.24 1d9k h PRO 70 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1d9k h PRO 70 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1d9k h PRO 70 CO 0.94 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.58 1d9k n SER 71 N -4.02 0.00 0.00 1.44 3.41 -1.25 -4.86 113.62 108.34 1d9k n SER 71 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1d9k n SER 71 Cb 0.71 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 1d9k n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1d9k n GLN 72 N 0.00 0.00 0.00 4.33 1.13 -1.26 -3.08 117.38 118.49 1d9k n GLN 72 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1d9k n GLN 72 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1d9k n GLN 72 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1d9k n GLU 73 N 8.52 0.00 -3.78 -1.09 0.28 -1.26 -4.18 120.64 119.13 1d9k n GLU 73 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.63 1d9k n GLU 73 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 1d9k n GLU 73 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1d9k s ASN 74 N 0.00 6.50 -0.15 -1.84 3.84 -1.18 -0.68 114.94 121.43 1d9k s ASN 74 Ca 0.00 0.59 -0.04 0.00 0.21 0.00 0.00 52.86 53.61 1d9k s ASN 74 Cb 0.00 -2.11 0.07 0.00 -0.55 0.00 0.00 41.25 38.67 1d9k s ASN 74 CO 0.00 0.36 0.23 0.12 -2.79 0.00 0.00 177.10 175.02 1d9k s PHE 75 N -1.10 -0.32 -0.02 0.43 5.36 -0.54 -3.91 117.98 117.89 1d9k s PHE 75 Ca 0.19 0.57 0.02 0.00 -0.96 0.00 0.00 56.93 56.75 1d9k s PHE 75 Cb -0.13 -0.22 -0.03 0.00 -0.34 0.00 0.00 43.02 42.29 1d9k s PHE 75 CO 0.09 -0.45 -0.04 -1.12 -1.46 0.00 0.00 175.22 172.24 1d9k s SER 76 N 2.36 4.85 -0.25 6.13 0.01 -0.33 -0.77 113.70 125.69 1d9k s SER 76 Ca 0.04 -0.04 -0.04 0.00 1.31 0.00 0.00 55.95 57.22 1d9k s SER 76 Cb -0.14 -1.22 0.01 0.00 0.21 0.00 0.00 66.02 64.88 1d9k s SER 76 CO -0.10 0.31 -0.02 -0.22 0.41 0.00 0.00 173.24 173.63 1d9k s LEU 77 N -1.26 3.26 -0.11 2.44 2.96 0.16 -0.64 118.68 125.49 1d9k s LEU 77 Ca 0.16 -0.64 -0.07 0.00 -0.22 0.00 0.00 54.13 53.36 1d9k s LEU 77 Cb -0.11 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1d9k s LEU 77 CO 0.06 -0.10 0.16 -0.63 -1.32 0.00 0.00 176.35 174.51 1d9k s ILE 78 N 1.43 5.48 -0.53 6.68 1.01 0.41 -1.10 121.20 134.58 1d9k s ILE 78 Ca 0.03 0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.94 1d9k s ILE 78 Cb -0.16 -3.42 0.15 0.00 0.01 0.00 0.00 42.46 39.04 1d9k s ILE 78 CO -0.02 0.60 0.33 -0.76 0.00 0.00 0.00 174.94 175.09 1d9k s LEU 79 N -1.08 3.47 -0.15 2.97 1.43 0.32 -0.86 118.68 124.78 1d9k s LEU 79 Ca 0.16 -3.13 -0.26 0.00 -1.03 0.00 0.00 54.13 49.87 1d9k s LEU 79 Cb -0.12 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 1d9k s LEU 79 CO 0.05 -0.19 0.88 -1.61 0.23 0.00 0.00 176.35 175.71 1d9k s GLU 80 N -0.35 4.33 -0.09 1.70 2.02 -1.26 -1.10 118.70 123.94 1d9k s GLU 80 Ca 0.22 1.11 -0.03 0.00 0.02 0.00 0.00 54.97 56.29 1d9k s GLU 80 Cb -0.15 -3.56 0.00 0.00 0.10 0.00 0.00 34.13 30.52 1d9k s GLU 80 CO -0.08 -0.32 0.12 -0.11 0.02 0.00 0.00 175.26 174.90 1d9k n LEU 81 N 5.17 -3.21 -4.19 1.80 7.94 -1.26 -4.85 117.00 118.40 1d9k n LEU 81 Ca 0.06 0.10 -0.29 0.00 -1.11 0.00 0.00 56.01 54.77 1d9k n LEU 81 Cb 0.49 -1.49 0.28 0.00 0.53 0.00 0.00 43.42 43.22 1d9k n LEU 81 CO 0.49 -0.47 0.32 0.00 -1.11 0.00 0.00 177.39 176.63 1d9k n ALA 82 N -0.51 -4.54 -3.64 1.96 0.00 -1.14 -4.55 120.51 108.08 1d9k n ALA 82 Ca 0.02 -1.83 -0.05 0.00 0.00 0.00 0.00 53.44 51.58 1d9k n ALA 82 Cb 0.12 -1.50 -0.07 0.00 0.00 0.00 0.00 19.45 18.01 1d9k n ALA 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1d9k s THR 83 N -2.11 0.00 -1.37 0.00 2.01 -1.26 -2.28 115.64 110.63 1d9k s THR 83 Ca 0.63 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.63 1d9k s THR 83 Cb -0.12 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.39 1d9k s THR 83 CO 0.53 0.00 0.78 -2.65 -0.69 0.00 0.00 174.62 172.59 1d9k n PRO 84 N 3.34 0.00 0.11 4.92 -0.02 -1.26 -0.19 135.00 141.90 1d9k n PRO 84 Ca -0.17 0.28 -0.03 0.00 -2.02 0.00 0.00 63.50 61.57 1d9k n PRO 84 Cb 0.57 -1.51 0.05 0.00 -0.02 0.00 0.00 33.50 32.59 1d9k n PRO 84 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1d9k h SER 85 N 0.00 0.00 -2.27 2.55 4.64 -1.94 -3.29 113.55 113.24 1d9k h SER 85 Ca 0.00 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.57 1d9k h SER 85 Cb 0.02 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.80 1d9k h SER 85 CO 0.00 0.75 0.61 0.00 -0.87 0.00 0.00 176.83 177.32 1d9k n GLN 86 N -3.53 4.88 -2.13 4.77 10.64 0.74 -4.78 117.38 127.97 1d9k n GLN 86 Ca -0.00 -4.72 -0.28 0.00 -1.83 0.00 0.00 57.00 50.17 1d9k n GLN 86 Cb 0.76 -2.41 0.02 0.00 -0.86 0.00 0.00 30.24 27.75 1d9k n GLN 86 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1d9k n THR 87 N -0.08 2.69 -0.75 -0.39 -1.04 -1.24 -4.70 114.28 108.76 1d9k n THR 87 Ca 0.43 -4.39 0.00 0.00 -2.04 0.00 0.00 64.05 58.05 1d9k n THR 87 Cb 0.29 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 1d9k n THR 87 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1d9k n SER 88 N -0.62 0.00 -4.29 8.00 3.41 -1.23 -4.72 113.62 114.16 1d9k n SER 88 Ca 0.45 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.72 1d9k n SER 88 Cb 0.74 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.54 1d9k n SER 88 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1d9k s VAL 89 N 3.54 2.91 -0.28 -3.33 1.01 -1.16 -1.34 120.40 121.75 1d9k s VAL 89 Ca 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 1d9k s VAL 89 Cb 0.00 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1d9k s VAL 89 CO 0.00 0.50 0.26 -0.31 0.00 0.00 0.00 175.10 175.55 1d9k s TYR 90 N 0.90 3.23 -0.17 5.22 1.51 0.48 0.31 117.35 128.83 1d9k s TYR 90 Ca -0.03 0.18 -0.04 0.00 -1.01 0.00 0.00 57.07 56.17 1d9k s TYR 90 Cb -0.15 -2.46 -0.03 0.00 -0.11 0.00 0.00 41.96 39.21 1d9k s TYR 90 CO -0.01 -0.21 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.14 1d9k s PHE 91 N 1.87 3.03 0.07 2.71 0.40 -0.80 -1.84 117.98 123.43 1d9k s PHE 91 Ca 0.10 -0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.10 1d9k s PHE 91 Cb -0.16 -1.99 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 1d9k s PHE 91 CO 0.11 -0.09 0.13 0.00 0.70 0.00 0.00 175.22 176.07 1d9k s ALA 93 N -1.43 -1.28 0.48 0.00 0.00 -1.26 0.34 121.76 118.61 1d9k s ALA 93 Ca 0.31 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1d9k s ALA 93 Cb -0.12 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 1d9k s ALA 93 CO 0.24 -0.29 0.00 -1.13 0.00 0.00 0.00 175.76 174.58 1d9k n SER 94 N 1.66 3.28 0.00 0.00 3.41 0.10 0.13 113.62 122.20 1d9k n SER 94 Ca -0.18 -3.10 0.00 0.00 -0.26 0.00 0.00 58.87 55.33 1d9k n SER 94 Cb 0.56 0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 1d9k n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d9k n GLY 95 N -0.71 -1.52 0.00 5.00 0.00 -1.08 0.10 105.19 106.98 1d9k n GLY 95 Ca -0.20 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1d9k n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d9k n GLY 96 N -0.16 0.00 3.28 -0.02 0.00 -1.26 -3.61 105.19 103.42 1d9k n GLY 96 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1d9k n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d9k s GLN 97 N 0.00 1.53 0.00 1.61 -0.21 -1.26 -4.92 119.66 116.40 1d9k s GLN 97 Ca 0.00 -1.86 0.00 0.00 0.02 0.00 0.00 55.36 53.52 1d9k s GLN 97 Cb 0.00 0.12 0.00 0.00 1.00 0.00 0.00 33.01 34.13 1d9k s GLN 97 CO 0.00 -0.49 0.00 0.41 -2.12 0.00 0.00 175.29 173.09 1d9k n GLY 98 N -0.51 -3.08 4.66 3.09 0.00 -1.26 -3.33 105.19 104.77 1d9k n GLY 98 Ca 0.03 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1d9k n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d9k n ARG 99 N -0.19 0.00 -3.66 1.61 1.74 -1.26 -3.85 116.66 111.06 1d9k n ARG 99 Ca 0.00 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 1d9k n ARG 99 Cb 0.00 -2.62 0.06 0.00 -1.02 0.00 0.00 32.46 28.88 1d9k n ARG 99 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1d9k n ALA 104 N 0.64 -1.62 -2.59 7.54 0.00 -1.21 -4.92 120.51 118.36 1d9k n ALA 104 Ca 0.00 0.13 -0.43 0.00 0.00 0.00 0.00 53.44 53.14 1d9k n ALA 104 Cb 0.00 -3.82 -0.03 0.00 0.00 0.00 0.00 19.45 15.60 1d9k n ALA 104 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1d9k s GLU 105 N -6.10 3.55 -0.01 0.00 2.12 -1.25 -5.01 118.70 111.99 1d9k s GLU 105 Ca 0.35 0.21 -0.05 0.00 0.36 0.00 0.00 54.97 55.85 1d9k s GLU 105 Cb -0.16 -3.96 -0.04 0.00 0.26 0.00 0.00 34.13 30.22 1d9k s GLU 105 CO 0.77 -1.40 0.22 -0.65 -0.54 0.00 0.00 175.26 173.66 1d9k s GLN 106 N 4.21 3.50 -0.31 4.30 -0.21 -1.26 -4.40 119.66 125.48 1d9k s GLN 106 Ca 0.40 -0.20 -0.03 0.00 0.02 0.00 0.00 55.36 55.55 1d9k s GLN 106 Cb -0.09 -3.10 0.05 0.00 1.00 0.00 0.00 33.01 30.87 1d9k s GLN 106 CO 0.27 0.67 0.04 -0.06 -2.12 0.00 0.00 175.29 174.08 1d9k s PHE 107 N -1.29 3.27 0.24 0.91 0.40 0.29 -4.91 117.98 116.90 1d9k s PHE 107 Ca 0.26 -1.76 -0.25 0.00 -0.60 0.00 0.00 56.93 54.59 1d9k s PHE 107 Cb -0.13 -2.19 -0.09 0.00 0.51 0.00 0.00 43.02 41.13 1d9k s PHE 107 CO 0.16 -0.79 0.84 -0.06 0.70 0.00 0.00 175.22 176.07 1d9k s PHE 108 N 1.29 3.78 0.16 0.36 0.08 -1.26 -0.72 117.98 121.66 1d9k s PHE 108 Ca -0.04 1.65 -0.03 0.00 0.12 0.00 0.00 56.93 58.64 1d9k s PHE 108 Cb -0.20 -2.81 0.04 0.00 -0.57 0.00 0.00 43.02 39.48 1d9k s PHE 108 CO -0.00 0.36 0.19 0.41 -0.10 0.00 0.00 175.22 176.08 1d9k n GLY 109 N 1.00 -1.57 0.15 4.36 0.00 0.15 -4.76 105.19 104.53 1d9k n GLY 109 Ca -0.02 -1.61 0.03 0.00 0.00 0.00 0.00 46.02 44.42 1d9k n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d9k h PRO 110 N 0.00 0.00 0.00 1.61 0.13 -1.88 -3.46 132.00 128.40 1d9k h PRO 110 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1d9k h PRO 110 Cb 0.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.31 1d9k h PRO 110 CO 0.04 0.48 0.00 0.41 -0.23 0.00 0.00 178.00 178.70 1d9k n GLY 111 N 1.04 2.86 2.70 1.56 0.00 -1.26 -5.07 105.19 107.02 1d9k n GLY 111 Ca 0.02 -1.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.00 1d9k n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d9k s THR 112 N -2.29 0.15 -0.10 2.61 2.01 -0.76 -4.56 115.64 112.70 1d9k s THR 112 Ca 0.00 0.04 -0.25 0.00 0.31 0.00 0.00 61.69 61.80 1d9k s THR 112 Cb 0.00 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.98 1d9k s THR 112 CO 0.00 0.04 0.78 -0.60 -0.69 0.00 0.00 174.62 174.15 1d9k s ARG 113 N 2.05 4.39 -0.11 4.92 3.52 0.35 -0.38 118.95 133.68 1d9k s ARG 113 Ca 0.03 0.98 0.03 0.00 -0.13 0.00 0.00 55.73 56.64 1d9k s ARG 113 Cb -0.14 -3.50 -0.00 0.00 -1.56 0.00 0.00 34.95 29.75 1d9k s ARG 113 CO -0.06 -0.10 -0.21 -1.17 -0.81 0.00 0.00 175.30 172.95 1d9k s LEU 114 N 1.34 2.24 -0.23 -0.88 2.96 -0.45 -0.98 118.68 122.68 1d9k s LEU 114 Ca 0.39 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 1d9k s LEU 114 Cb -0.18 -1.46 0.05 0.00 0.50 0.00 0.00 46.19 45.10 1d9k s LEU 114 CO 0.17 0.15 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.34 1d9k s THR 115 N 0.39 1.98 -0.81 3.68 2.01 -0.95 -3.51 115.64 118.43 1d9k s THR 115 Ca -0.16 -1.33 -0.18 0.00 0.31 0.00 0.00 61.69 60.33 1d9k s THR 115 Cb -0.17 -2.03 0.13 0.00 0.01 0.00 0.00 72.50 70.44 1d9k s THR 115 CO 0.07 0.12 0.95 -0.69 -0.69 0.00 0.00 174.62 174.38 1d9k s VAL 116 N 1.23 4.87 0.00 3.82 1.01 -1.26 -1.76 120.40 128.30 1d9k s VAL 116 Ca -0.04 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.46 1d9k s VAL 116 Cb -0.18 -4.65 0.00 0.00 0.00 0.00 0.00 36.38 31.56 1d9k s VAL 116 CO -0.07 -1.33 0.48 0.18 0.00 0.00 0.00 175.10 174.36 1d9k n LEU 116 N 6.15 0.00 0.00 3.92 4.77 0.22 -4.33 117.00 127.72 1d9k n LEU 116 Ca 0.12 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1d9k n LEU 116 Cb 0.47 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1d9k n LEU 116 CO 0.50 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1d9k n GLY 116 N -0.91 0.04 0.37 -0.72 0.00 -1.26 -4.89 105.19 97.82 1d9k n GLY 116 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.08 1d9k n GLY 116 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18