#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k1j s VAL 17 N 0.00 4.82 -0.81 1.39 1.01 0.47 -4.06 120.40 123.22 1k1j s VAL 17 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1k1j s VAL 17 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1k1j s VAL 17 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1k1j n GLY 18 N 3.33 0.90 0.00 4.51 0.00 -1.22 -1.27 105.19 111.43 1k1j n GLY 18 Ca -0.17 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1k1j n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1j n GLY 19 N -1.95 1.64 3.14 -0.02 0.00 -1.26 -4.87 105.19 101.86 1k1j n GLY 19 Ca -0.08 -2.00 -0.08 0.00 0.00 0.00 0.00 46.02 43.85 1k1j n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k1j s TYR 20 N 1.72 0.28 -0.04 1.61 1.13 0.66 -4.91 117.35 117.80 1k1j s TYR 20 Ca 0.00 -0.71 -0.30 0.00 -1.41 0.00 0.00 57.07 54.65 1k1j s TYR 20 Cb 0.00 -0.19 -0.07 0.00 -1.10 0.00 0.00 41.96 40.60 1k1j s TYR 20 CO 0.00 -0.43 1.81 0.99 -2.51 0.00 0.00 175.55 175.41 1k1j s THR 21 N -3.45 3.33 0.10 -3.49 2.01 -1.26 0.38 115.64 113.26 1k1j s THR 21 Ca 0.02 0.39 -0.26 0.00 0.31 0.00 0.00 61.69 62.15 1k1j s THR 21 Cb 0.04 -3.27 -0.12 0.00 0.01 0.00 0.00 72.50 69.15 1k1j s THR 21 CO -0.09 -0.06 1.67 0.00 -0.69 0.00 0.00 174.62 175.46 1k1j n GLY 23 N -1.30 3.72 3.68 0.00 0.00 -1.26 -4.85 105.19 105.19 1k1j n GLY 23 Ca -0.08 -1.44 -0.57 0.00 0.00 0.00 0.00 46.02 43.94 1k1j n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1j n ALA 24 N -0.06 -0.53 -1.91 4.61 0.00 -1.26 -1.96 120.51 119.41 1k1j n ALA 24 Ca 0.00 0.43 -0.20 0.00 0.00 0.00 0.00 53.44 53.67 1k1j n ALA 24 Cb 0.00 -2.16 -0.06 0.00 0.00 0.00 0.00 19.45 17.23 1k1j n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1k1j n ASN 25 N 4.54 -5.47 0.04 0.00 3.02 -1.26 -4.87 115.26 111.27 1k1j n ASN 25 Ca 0.25 0.30 0.13 0.00 -0.03 0.00 0.00 54.58 55.23 1k1j n ASN 25 Cb 0.13 -4.73 0.47 0.00 -0.61 0.00 0.00 39.78 35.04 1k1j n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1k1j n THR 26 N -2.97 0.25 -3.45 3.41 -2.24 -0.83 -3.89 114.28 104.56 1k1j n THR 26 Ca -0.22 -0.13 -0.26 0.00 -2.27 0.00 0.00 64.05 61.17 1k1j n THR 26 Cb 0.67 -0.44 -0.09 0.00 -2.10 0.00 0.00 70.33 68.37 1k1j n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1k1j n VAL 27 N -1.83 1.07 0.25 2.28 0.31 -1.26 -4.98 118.33 114.18 1k1j n VAL 27 Ca 0.06 -4.66 0.15 0.00 -0.01 0.00 0.00 64.34 59.89 1k1j n VAL 27 Cb 0.38 -2.03 0.82 0.00 -0.91 0.00 0.00 33.84 32.10 1k1j n VAL 27 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1k1j h PRO 28 N 4.51 0.00 -0.01 5.55 0.13 -1.79 -2.06 132.00 138.33 1k1j h PRO 28 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1k1j h PRO 28 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1k1j h PRO 28 CO 0.67 0.00 -0.35 2.48 -0.23 0.00 0.00 178.00 180.57 1k1j n TYR 29 N -2.62 0.00 -2.34 1.56 0.18 -1.14 -1.89 117.16 110.90 1k1j n TYR 29 Ca -0.02 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.34 1k1j n TYR 29 Cb 0.13 -0.06 -0.03 0.00 -0.38 0.00 0.00 39.34 39.00 1k1j n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1k1j s GLN 30 N -2.47 4.43 0.10 -3.48 2.00 -0.78 -0.98 119.66 118.48 1k1j s GLN 30 Ca 0.22 1.89 0.10 0.00 -2.00 0.00 0.00 55.36 55.56 1k1j s GLN 30 Cb 0.19 -3.28 -0.04 0.00 0.80 0.00 0.00 33.01 30.69 1k1j s GLN 30 CO 0.54 -0.23 -0.25 0.08 -0.50 0.00 0.00 175.29 174.93 1k1j s VAL 31 N 0.58 2.09 -0.19 1.34 1.01 -0.03 -4.43 120.40 120.77 1k1j s VAL 31 Ca 0.57 -1.58 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 1k1j s VAL 31 Cb -0.32 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 1k1j s VAL 31 CO 0.33 0.14 -0.09 -0.55 0.00 0.00 0.00 175.10 174.93 1k1j s SER 32 N -1.75 4.06 -0.25 3.32 0.15 -0.75 -1.46 113.70 117.01 1k1j s SER 32 Ca 0.12 -0.40 -0.20 0.00 0.70 0.00 0.00 55.95 56.16 1k1j s SER 32 Cb -0.10 -1.67 -0.02 0.00 -1.71 0.00 0.00 66.02 62.53 1k1j s SER 32 CO 0.04 0.04 0.63 -0.76 1.20 0.00 0.00 173.24 174.40 1k1j s LEU 33 N 1.11 4.07 -0.02 3.45 1.43 0.21 -0.64 118.68 128.29 1k1j s LEU 33 Ca 0.01 0.73 0.07 0.00 -1.03 0.00 0.00 54.13 53.91 1k1j s LEU 33 Cb -0.15 -2.87 -0.02 0.00 0.03 0.00 0.00 46.19 43.19 1k1j s LEU 33 CO -0.02 -0.37 -0.24 0.21 0.23 0.00 0.00 176.35 176.16 1k1j s ASN 34 N 1.45 2.88 -0.32 2.29 3.84 0.80 -1.72 114.94 124.16 1k1j s ASN 34 Ca 0.27 -0.44 0.18 0.00 0.21 0.00 0.00 52.86 53.07 1k1j s ASN 34 Cb -0.15 -0.34 0.46 0.00 -0.55 0.00 0.00 41.25 40.67 1k1j s ASN 34 CO 0.09 0.30 1.01 -1.54 -2.79 0.00 0.00 177.10 174.16 1k1j n SER 37 N 2.50 1.21 0.00 -4.21 3.41 -1.26 -0.52 113.62 114.74 1k1j n SER 37 Ca -0.16 -2.58 0.00 0.00 -0.26 0.00 0.00 58.87 55.87 1k1j n SER 37 Cb 0.52 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1k1j n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k1j n GLY 38 N -0.20 0.60 3.61 5.00 0.00 -1.26 -4.99 105.19 107.96 1k1j n GLY 38 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 1k1j n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k1j s TYR 39 N -2.41 -0.10 -0.07 1.61 1.13 -1.26 -5.14 117.35 111.11 1k1j s TYR 39 Ca 0.00 0.07 -0.30 0.00 -1.41 0.00 0.00 57.07 55.43 1k1j s TYR 39 Cb 0.00 0.51 -0.02 0.00 -1.10 0.00 0.00 41.96 41.35 1k1j s TYR 39 CO 0.00 -0.16 1.01 -1.58 -2.51 0.00 0.00 175.55 172.31 1k1j s HIS 40 N -2.31 3.55 0.00 -3.49 5.65 -1.26 -4.30 115.29 113.13 1k1j s HIS 40 Ca 0.10 1.61 0.00 0.00 0.25 0.00 0.00 55.06 57.01 1k1j s HIS 40 Cb -0.01 -3.18 0.00 0.00 -1.18 0.00 0.00 32.58 28.21 1k1j s HIS 40 CO -0.04 -0.22 0.00 1.97 -0.65 0.00 0.00 174.74 175.79 1k1j n PHE 41 N 4.63 0.00 -3.65 3.88 1.16 -0.70 -5.01 117.46 117.77 1k1j n PHE 41 Ca 0.08 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.59 1k1j n PHE 41 Cb 0.49 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.35 1k1j n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1k1j n GLY 43 N -0.40 2.57 3.78 0.00 0.00 0.42 -0.62 105.19 110.94 1k1j n GLY 43 Ca -0.08 -2.25 -0.01 0.00 0.00 0.00 0.00 46.02 43.67 1k1j n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k1j s GLY 44 N -3.72 -0.16 -0.05 -0.02 0.00 -0.54 -3.72 107.32 99.11 1k1j s GLY 44 Ca 0.30 0.11 0.02 0.00 0.00 0.00 0.00 44.72 45.16 1k1j s GLY 44 CO 0.19 1.36 -0.08 -0.56 0.00 0.00 0.00 173.10 174.01 1k1j s SER 45 N -3.19 1.32 -0.26 1.64 0.01 -0.14 -0.85 113.70 112.23 1k1j s SER 45 Ca 0.17 -0.21 -0.29 0.00 1.31 0.00 0.00 55.95 56.94 1k1j s SER 45 Cb -0.00 -0.62 0.01 0.00 0.21 0.00 0.00 66.02 65.62 1k1j s SER 45 CO 0.01 -0.01 1.15 -0.22 0.41 0.00 0.00 173.24 174.59 1k1j s LEU 46 N 0.76 4.02 -0.01 2.44 2.96 -0.15 -0.84 118.68 127.86 1k1j s LEU 46 Ca -0.13 1.30 0.19 0.00 -0.22 0.00 0.00 54.13 55.28 1k1j s LEU 46 Cb -0.15 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.77 1k1j s LEU 46 CO 0.02 -0.84 0.73 2.30 -1.32 0.00 0.00 176.35 177.24 1k1j n ILE 47 N 5.70 0.00 -3.71 6.68 -5.35 -0.41 -0.96 119.36 121.31 1k1j n ILE 47 Ca 0.13 -0.13 -0.02 0.00 -0.27 0.00 0.00 62.75 62.46 1k1j n ILE 47 Cb 0.46 0.80 -0.01 0.00 -1.74 0.00 0.00 39.64 39.15 1k1j n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1k1j s ASN 48 N -3.11 -0.15 0.42 7.28 2.20 -1.20 -4.57 114.94 115.82 1k1j s ASN 48 Ca 0.04 -0.31 0.19 0.00 -0.94 0.00 0.00 52.86 51.85 1k1j s ASN 48 Cb 0.14 0.38 1.04 0.00 -2.00 0.00 0.00 41.25 40.81 1k1j s ASN 48 CO 0.79 -0.70 1.52 0.77 -2.94 0.00 0.00 177.10 176.54 1k1j h SER 49 N 2.00 0.00 0.00 3.54 4.64 -1.95 -2.76 113.55 119.02 1k1j h SER 49 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1k1j h SER 49 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1k1j h SER 49 CO 0.26 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.89 1k1j n GLN 50 N -2.31 0.57 -4.35 4.77 7.27 -1.26 0.48 117.38 122.56 1k1j n GLN 50 Ca -0.01 -0.62 -0.20 0.00 0.07 0.00 0.00 57.00 56.23 1k1j n GLN 50 Cb 0.29 -0.67 -0.16 0.00 2.41 0.00 0.00 30.24 32.12 1k1j n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1k1j s TRP 51 N -0.23 0.92 -0.04 3.69 0.52 -1.04 -0.84 118.94 121.91 1k1j s TRP 51 Ca 0.00 -0.24 0.07 0.00 0.02 0.00 0.00 56.10 55.95 1k1j s TRP 51 Cb 0.00 -0.68 -0.02 0.00 -1.15 0.00 0.00 33.47 31.63 1k1j s TRP 51 CO 0.00 -0.12 -0.25 0.08 0.02 0.00 0.00 176.95 176.68 1k1j s VAL 52 N 0.35 2.08 -0.12 4.03 1.01 0.09 -1.29 120.40 126.54 1k1j s VAL 52 Ca -0.05 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 1k1j s VAL 52 Cb -0.10 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1k1j s VAL 52 CO 0.01 0.57 -0.01 0.54 0.00 0.00 0.00 175.10 176.21 1k1j s VAL 53 N -0.37 4.14 0.00 2.92 0.11 -0.02 0.13 120.40 127.32 1k1j s VAL 53 Ca 0.03 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 1k1j s VAL 53 Cb -0.12 -2.78 0.00 0.00 -1.53 0.00 0.00 36.38 31.95 1k1j s VAL 53 CO 0.02 0.55 0.00 -0.24 -3.33 0.00 0.00 175.10 172.09 1k1j n SER 54 N 2.83 0.00 -4.85 3.54 2.88 0.68 -0.97 113.62 117.74 1k1j n SER 54 Ca -0.18 -0.79 -0.37 0.00 -1.33 0.00 0.00 58.87 56.21 1k1j n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1k1j n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k1j s ALA 55 N -1.64 3.71 0.45 -1.46 0.00 -1.26 -0.39 121.76 121.16 1k1j s ALA 55 Ca 0.00 -0.28 0.16 0.00 0.00 0.00 0.00 51.96 51.84 1k1j s ALA 55 Cb 0.00 -2.34 1.09 0.00 0.00 0.00 0.00 23.12 21.86 1k1j s ALA 55 CO 0.00 0.51 2.01 0.00 0.00 0.00 0.00 175.76 178.29 1k1j h ALA 56 N 4.32 1.65 0.00 0.00 0.00 -1.70 -1.38 119.26 122.15 1k1j h ALA 56 Ca -0.51 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1k1j h ALA 56 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1k1j h ALA 56 CO 0.63 0.21 0.00 -2.39 0.00 0.00 0.00 179.25 177.70 1k1j n HIS 57 N -4.23 0.00 1.18 0.00 1.44 -1.26 -1.86 115.22 110.49 1k1j n HIS 57 Ca -0.02 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.81 1k1j n HIS 57 Cb 0.24 -0.13 0.26 0.00 0.12 0.00 0.00 29.99 30.47 1k1j n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1k1j n TYR 59 N -0.23 1.83 -3.55 0.00 9.36 -0.78 -4.98 117.16 118.81 1k1j n TYR 59 Ca 0.12 0.51 -0.15 0.00 3.32 0.00 0.00 57.90 61.70 1k1j n TYR 59 Cb 0.40 -2.40 -0.06 0.00 -0.63 0.00 0.00 39.34 36.65 1k1j n TYR 59 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1k1j s LYS 60 N -0.03 0.87 0.51 2.98 2.20 -1.26 -5.15 119.74 119.87 1k1j s LYS 60 Ca 0.74 0.29 -0.05 0.00 -0.36 0.00 0.00 55.97 56.59 1k1j s LYS 60 Cb -0.76 0.41 -0.02 0.00 -1.51 0.00 0.00 37.83 35.95 1k1j s LYS 60 CO 0.48 -0.26 0.82 -1.54 -0.36 0.00 0.00 175.35 174.49 1k1j s SER 61 N -0.98 6.08 -0.92 1.43 1.04 -1.26 -4.40 113.70 114.69 1k1j s SER 61 Ca -0.07 0.86 -0.01 0.00 0.48 0.00 0.00 55.95 57.22 1k1j s SER 61 Cb -0.01 -2.09 -0.01 0.00 0.10 0.00 0.00 66.02 64.01 1k1j s SER 61 CO 0.06 -0.71 0.77 0.61 0.98 0.00 0.00 173.24 174.95 1k1j n GLY 62 N -2.35 -0.29 3.74 7.32 0.00 -1.26 -5.00 105.19 107.35 1k1j n GLY 62 Ca 0.02 0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1k1j n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k1j s ILE 63 N -3.29 5.36 -0.16 -0.61 1.01 -1.26 -4.62 121.20 117.62 1k1j s ILE 63 Ca 0.07 0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.86 1k1j s ILE 63 Cb -0.01 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 1k1j s ILE 63 CO 0.57 0.47 -0.06 -1.58 0.00 0.00 0.00 174.94 174.33 1k1j s GLN 64 N 0.17 3.52 -0.18 2.79 0.74 0.32 -1.77 119.66 125.24 1k1j s GLN 64 Ca 0.09 -0.59 -0.18 0.00 0.05 0.00 0.00 55.36 54.73 1k1j s GLN 64 Cb -0.11 -2.86 -0.04 0.00 1.10 0.00 0.00 33.01 31.10 1k1j s GLN 64 CO -0.01 0.12 0.47 0.08 -0.55 0.00 0.00 175.29 175.41 1k1j s VAL 65 N 0.64 5.15 -0.29 1.34 1.01 0.13 -0.14 120.40 128.25 1k1j s VAL 65 Ca -0.04 0.88 -0.03 0.00 0.00 0.00 0.00 61.98 62.79 1k1j s VAL 65 Cb -0.15 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.46 1k1j s VAL 65 CO 0.02 0.24 0.01 -0.13 0.00 0.00 0.00 175.10 175.24 1k1j s ARG 66 N 1.29 2.72 0.25 2.72 0.52 0.19 -1.13 118.95 125.51 1k1j s ARG 66 Ca 0.23 -1.08 0.05 0.00 -0.52 0.00 0.00 55.73 54.41 1k1j s ARG 66 Cb -0.15 -3.20 -0.03 0.00 0.52 0.00 0.00 34.95 32.09 1k1j s ARG 66 CO 0.09 -0.52 0.38 -0.51 0.02 0.00 0.00 175.30 174.76 1k1j s LEU 67 N 1.35 4.27 -1.48 2.53 2.01 -0.26 -1.82 118.68 125.28 1k1j s LEU 67 Ca -0.01 0.10 -0.06 0.00 0.01 0.00 0.00 54.13 54.17 1k1j s LEU 67 Cb -0.18 -2.90 0.01 0.00 0.01 0.00 0.00 46.19 43.12 1k1j s LEU 67 CO -0.01 -0.11 0.73 0.61 1.01 0.00 0.00 176.35 178.58 1k1j n GLY 69 N -1.46 -0.50 3.90 -3.19 0.00 -1.26 -1.94 105.19 100.74 1k1j n GLY 69 Ca -0.08 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1k1j n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k1j s GLU 70 N -5.82 3.61 0.00 1.61 0.41 -1.26 -3.92 118.70 113.34 1k1j s GLU 70 Ca 0.36 -0.10 0.00 0.00 -0.41 0.00 0.00 54.97 54.82 1k1j s GLU 70 Cb -0.16 -2.82 0.00 0.00 -1.78 0.00 0.00 34.13 29.37 1k1j s GLU 70 CO 0.45 0.43 0.00 -3.47 -0.49 0.00 0.00 175.26 172.18 1k1j n ASP 71 N -0.12 0.00 -4.57 -0.19 2.03 -1.26 -4.55 116.55 107.89 1k1j n ASP 71 Ca -0.02 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.86 1k1j n ASP 71 Cb 0.52 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.88 1k1j n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1k1j s ASN 72 N 1.00 6.52 0.25 1.67 3.84 -1.25 -3.10 114.94 123.86 1k1j s ASN 72 Ca 0.00 0.16 0.24 0.00 0.21 0.00 0.00 52.86 53.47 1k1j s ASN 72 Cb 0.00 -2.46 0.95 0.00 -0.55 0.00 0.00 41.25 39.20 1k1j s ASN 72 CO 0.00 -1.05 1.72 2.30 -2.79 0.00 0.00 177.10 177.28 1k1j n ILE 73 N 6.42 0.79 0.64 -5.21 -5.35 0.04 -3.17 119.36 113.52 1k1j n ILE 73 Ca 0.07 0.14 0.11 0.00 -0.27 0.00 0.00 62.75 62.80 1k1j n ILE 73 Cb 0.48 -1.06 -0.04 0.00 -1.74 0.00 0.00 39.64 37.28 1k1j n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1k1j n ASN 74 N -2.23 0.63 -4.32 7.28 3.02 -1.26 -4.92 115.26 113.45 1k1j n ASN 74 Ca 0.03 -0.43 -0.31 0.00 -0.03 0.00 0.00 54.58 53.83 1k1j n ASN 74 Cb 0.26 1.02 -0.16 0.00 -0.61 0.00 0.00 39.78 40.29 1k1j n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1k1j s VAL 75 N -3.17 2.15 -0.42 2.41 1.01 -1.19 -5.09 120.40 116.10 1k1j s VAL 75 Ca 0.04 -1.06 -0.25 0.00 0.00 0.00 0.00 61.98 60.71 1k1j s VAL 75 Cb 0.15 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.79 1k1j s VAL 75 CO 0.83 0.58 0.87 -0.69 0.00 0.00 0.00 175.10 176.69 1k1j s VAL 76 N -0.53 4.58 -0.46 2.92 1.01 -1.26 -4.73 120.40 121.94 1k1j s VAL 76 Ca 0.07 0.79 0.12 0.00 0.00 0.00 0.00 61.98 62.96 1k1j s VAL 76 Cb -0.11 -4.34 -0.14 0.00 0.00 0.00 0.00 36.38 31.79 1k1j s VAL 76 CO 0.00 -0.67 0.46 -0.62 0.00 0.00 0.00 175.10 174.27 1k1j n GLU 77 N 6.84 2.63 0.00 2.72 1.02 -1.26 -5.10 120.64 127.49 1k1j n GLU 77 Ca 0.05 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1k1j n GLU 77 Cb 0.48 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 1k1j n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k1j n GLY 78 N 1.37 2.67 2.69 0.62 0.00 -1.26 -4.99 105.19 106.29 1k1j n GLY 78 Ca 0.01 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1k1j n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k1j n ASN 79 N 0.00 0.00 -4.82 1.61 3.02 -1.26 -4.98 115.26 108.83 1k1j n ASN 79 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.22 1k1j n ASN 79 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 1k1j n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1k1j s GLU 80 N -0.10 3.67 -0.13 3.52 8.01 -1.25 -4.32 118.70 128.09 1k1j s GLU 80 Ca 0.00 1.14 -0.04 0.00 0.01 0.00 0.00 54.97 56.09 1k1j s GLU 80 Cb 0.00 -2.09 0.06 0.00 -4.31 0.00 0.00 34.13 27.79 1k1j s GLU 80 CO 0.00 -0.52 0.13 -0.65 0.01 0.00 0.00 175.26 174.23 1k1j s GLN 81 N -3.87 0.05 -0.34 1.61 -0.21 -0.82 -4.98 119.66 111.10 1k1j s GLN 81 Ca 0.63 0.23 -0.13 0.00 0.02 0.00 0.00 55.36 56.11 1k1j s GLN 81 Cb -0.14 -1.05 -0.02 0.00 1.00 0.00 0.00 33.01 32.81 1k1j s GLN 81 CO 0.31 -0.51 0.24 -0.06 -2.12 0.00 0.00 175.29 173.15 1k1j s PHE 82 N 2.22 3.23 -0.05 0.91 0.08 -1.26 -1.10 117.98 122.01 1k1j s PHE 82 Ca 0.04 -0.25 0.03 0.00 0.12 0.00 0.00 56.93 56.87 1k1j s PHE 82 Cb -0.14 -2.47 0.01 0.00 -0.57 0.00 0.00 43.02 39.84 1k1j s PHE 82 CO -0.08 -0.38 -0.12 0.42 -0.10 0.00 0.00 175.22 174.97 1k1j s ILE 83 N 1.71 1.05 0.47 0.64 1.01 -0.29 -4.99 121.20 120.81 1k1j s ILE 83 Ca 0.06 -0.47 -0.20 0.00 0.00 0.00 0.00 60.65 60.04 1k1j s ILE 83 Cb -0.17 -0.94 -0.09 0.00 0.01 0.00 0.00 42.46 41.27 1k1j s ILE 83 CO 0.10 0.32 1.00 -0.44 0.00 0.00 0.00 174.94 175.92 1k1j s SER 84 N 0.37 6.59 0.15 3.58 0.01 -1.26 0.22 113.70 123.36 1k1j s SER 84 Ca -0.08 1.78 -0.28 0.00 1.31 0.00 0.00 55.95 58.68 1k1j s SER 84 Cb -0.12 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.49 1k1j s SER 84 CO 0.02 -0.61 0.89 0.00 0.41 0.00 0.00 173.24 173.95 1k1j s ALA 85 N -2.16 3.33 -0.09 1.44 0.00 -0.73 -0.74 121.76 122.81 1k1j s ALA 85 Ca 0.64 0.50 0.13 0.00 0.00 0.00 0.00 51.96 53.23 1k1j s ALA 85 Cb -0.13 -3.15 -0.24 0.00 0.00 0.00 0.00 23.12 19.61 1k1j s ALA 85 CO 0.19 0.13 0.47 -1.13 0.00 0.00 0.00 175.76 175.42 1k1j n SER 86 N 2.13 0.72 -3.62 0.00 3.41 0.53 -4.73 113.62 112.06 1k1j n SER 86 Ca -0.01 0.28 -0.13 0.00 -0.26 0.00 0.00 58.87 58.75 1k1j n SER 86 Cb 0.49 0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 64.54 1k1j n SER 86 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1k1j s LYS 87 N -2.57 0.77 -0.21 4.33 -2.85 -1.22 -5.01 119.74 113.00 1k1j s LYS 87 Ca -0.07 0.85 -0.00 0.00 -1.00 0.00 0.00 55.97 55.74 1k1j s LYS 87 Cb 0.07 0.38 0.02 0.00 -2.06 0.00 0.00 37.83 36.24 1k1j s LYS 87 CO 0.82 -0.11 -0.13 -1.12 0.10 0.00 0.00 175.35 174.91 1k1j s SER 88 N 0.23 3.72 -0.50 0.03 0.01 -1.26 -0.67 113.70 115.26 1k1j s SER 88 Ca 0.00 -0.69 -0.13 0.00 1.31 0.00 0.00 55.95 56.45 1k1j s SER 88 Cb -0.05 -1.58 0.12 0.00 0.21 0.00 0.00 66.02 64.73 1k1j s SER 88 CO -0.00 -0.04 0.41 -0.63 0.41 0.00 0.00 173.24 173.39 1k1j s ILE 89 N 1.33 4.71 0.25 1.44 1.01 0.16 -4.95 121.20 125.14 1k1j s ILE 89 Ca 0.03 -1.61 -0.30 0.00 0.00 0.00 0.00 60.65 58.78 1k1j s ILE 89 Cb -0.14 -4.04 -0.09 0.00 0.01 0.00 0.00 42.46 38.19 1k1j s ILE 89 CO -0.09 -0.80 0.96 -0.69 0.00 0.00 0.00 174.94 174.32 1k1j s VAL 90 N 1.48 4.03 0.09 2.92 1.01 -1.26 -1.01 120.40 127.66 1k1j s VAL 90 Ca 0.04 2.01 -0.33 0.00 0.00 0.00 0.00 61.98 63.70 1k1j s VAL 90 Cb -0.28 -4.26 -0.13 0.00 0.00 0.00 0.00 36.38 31.72 1k1j s VAL 90 CO 0.01 0.45 1.72 1.57 0.00 0.00 0.00 175.10 178.86 1k1j n HIS 91 N 1.37 2.39 -0.23 5.22 -0.00 -0.83 -4.84 115.22 118.29 1k1j n HIS 91 Ca -0.02 0.09 0.28 0.00 0.46 0.00 0.00 57.72 58.54 1k1j n HIS 91 Cb 0.47 -2.62 0.68 0.00 -0.12 0.00 0.00 29.99 28.40 1k1j n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1k1j h PRO 92 N 7.42 0.10 -0.57 1.57 0.11 -1.93 -0.63 132.00 138.07 1k1j h PRO 92 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1k1j h PRO 92 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1k1j h PRO 92 CO 0.92 0.06 0.00 0.43 -0.21 0.00 0.00 178.00 179.20 1k1j n SER 93 N -4.32 5.08 -4.73 -2.05 7.64 -1.26 -4.98 113.62 108.99 1k1j n SER 93 Ca 0.20 -2.71 -0.42 0.00 1.01 0.00 0.00 58.87 56.95 1k1j n SER 93 Cb 0.96 -0.62 -0.03 0.00 -1.01 0.00 0.00 64.21 63.52 1k1j n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k1j s TYR 94 N -2.34 3.04 -0.27 1.43 5.04 -0.25 -4.70 117.35 119.30 1k1j s TYR 94 Ca 0.51 0.83 -0.02 0.00 -2.44 0.00 0.00 57.07 55.95 1k1j s TYR 94 Cb 0.37 -3.87 0.03 0.00 0.35 0.00 0.00 41.96 38.83 1k1j s TYR 94 CO 0.19 -3.04 -0.03 1.21 -1.34 0.00 0.00 175.55 172.54 1k1j s ASN 95 N 0.76 4.56 0.27 4.32 3.84 -0.71 -4.99 114.94 122.98 1k1j s ASN 95 Ca 0.65 -1.01 0.22 0.00 0.21 0.00 0.00 52.86 52.93 1k1j s ASN 95 Cb -0.43 -1.69 1.02 0.00 -0.55 0.00 0.00 41.25 39.60 1k1j s ASN 95 CO 0.37 -0.18 1.67 -1.54 -2.79 0.00 0.00 177.10 174.64 1k1j n SER 96 N 4.66 0.60 -0.08 -4.21 3.41 -1.26 0.51 113.62 117.25 1k1j n SER 96 Ca -0.15 0.69 -0.21 0.00 -0.26 0.00 0.00 58.87 58.94 1k1j n SER 96 Cb 0.46 -0.80 -0.12 0.00 -0.26 0.00 0.00 64.21 63.48 1k1j n SER 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1k1j h ASN 97 N 0.00 0.07 1.27 4.04 -0.26 -1.97 -3.38 115.58 115.35 1k1j h ASN 97 Ca 0.00 -0.65 -0.03 0.00 -0.56 0.00 0.00 56.30 55.07 1k1j h ASN 97 Cb 0.23 -0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 37.46 1k1j h ASN 97 CO 0.00 1.46 -0.74 0.71 -1.06 0.00 0.00 177.43 177.80 1k1j h THR 98 N -0.85 0.11 -0.54 2.81 1.35 -1.98 -3.47 112.91 110.33 1k1j h THR 98 Ca -0.30 -1.19 -0.23 0.00 -0.55 0.00 0.00 66.41 64.14 1k1j h THR 98 Cb 1.36 1.76 -0.09 0.00 -1.73 0.00 0.00 68.15 69.44 1k1j h THR 98 CO -0.13 0.06 -0.21 0.18 -0.25 0.00 0.00 175.52 175.17 1k1j n LEU 99 N -2.85 -0.83 -4.77 3.87 4.77 0.18 -4.99 117.00 112.39 1k1j n LEU 99 Ca 0.00 0.28 -0.39 0.00 -0.03 0.00 0.00 56.01 55.87 1k1j n LEU 99 Cb 0.59 -1.78 -0.04 0.00 -2.33 0.00 0.00 43.42 39.86 1k1j n LEU 99 CO 0.39 -0.59 0.79 0.21 -1.33 0.00 0.00 177.39 176.85 1k1j s ASN 100 N -2.88 6.95 -1.11 -1.43 2.47 -1.20 -3.09 114.94 114.65 1k1j s ASN 100 Ca 0.00 2.22 -0.06 0.00 0.42 0.00 0.00 52.86 55.44 1k1j s ASN 100 Cb 0.00 -2.61 0.01 0.00 -1.45 0.00 0.00 41.25 37.19 1k1j s ASN 100 CO 0.00 -0.36 0.96 0.59 -3.72 0.00 0.00 177.10 174.57 1k1j n ASN 101 N 0.57 -4.78 -4.14 -4.21 5.03 -1.26 -1.74 115.26 104.73 1k1j n ASN 101 Ca 0.02 -0.47 -0.43 0.00 0.87 0.00 0.00 54.58 54.57 1k1j n ASN 101 Cb 0.47 -4.35 0.00 0.00 -1.02 0.00 0.00 39.78 34.88 1k1j n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1k1j n ASP 102 N -2.44 4.53 -3.80 6.41 2.03 -1.18 -4.30 116.55 117.81 1k1j n ASP 102 Ca -0.06 -2.91 -0.13 0.00 0.52 0.00 0.00 54.79 52.22 1k1j n ASP 102 Cb 0.57 -1.67 -0.12 0.00 -0.72 0.00 0.00 41.12 39.19 1k1j n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1k1j s ILE 103 N 3.14 -0.00 0.00 5.18 2.07 -1.26 -3.84 121.20 126.49 1k1j s ILE 103 Ca 0.48 0.02 -0.00 0.00 -1.41 0.00 0.00 60.65 59.74 1k1j s ILE 103 Cb 0.08 -0.29 -0.00 0.00 0.13 0.00 0.00 42.46 42.38 1k1j s ILE 103 CO -0.01 0.01 -0.00 -0.32 -1.91 0.00 0.00 174.94 172.71 1k1j s MET 104 N 0.22 0.04 -0.11 3.50 -2.45 0.47 -1.97 119.30 119.00 1k1j s MET 104 Ca -0.01 -0.07 -0.02 0.00 -1.25 0.00 0.00 55.69 54.33 1k1j s MET 104 Cb -0.02 0.01 -0.03 0.00 1.25 0.00 0.00 34.83 36.04 1k1j s MET 104 CO -0.01 -0.01 -0.02 -0.51 1.05 0.00 0.00 175.02 175.53 1k1j s LEU 105 N -0.18 3.44 -0.10 4.11 1.02 -0.18 -0.23 118.68 126.56 1k1j s LEU 105 Ca -0.02 0.03 0.03 0.00 0.02 0.00 0.00 54.13 54.19 1k1j s LEU 105 Cb -0.01 -1.80 0.00 0.00 0.02 0.00 0.00 46.19 44.40 1k1j s LEU 105 CO -0.00 0.29 -0.22 -0.63 0.02 0.00 0.00 176.35 175.81 1k1j s ILE 106 N -0.38 1.92 -0.16 -0.59 1.01 0.12 0.38 121.20 123.50 1k1j s ILE 106 Ca 0.07 -0.93 -0.10 0.00 0.00 0.00 0.00 60.65 59.69 1k1j s ILE 106 Cb -0.12 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 1k1j s ILE 106 CO 0.02 0.53 0.18 -0.75 0.00 0.00 0.00 174.94 174.92 1k1j s LYS 107 N 0.50 4.02 0.25 2.79 2.20 0.16 -0.74 119.74 128.93 1k1j s LYS 107 Ca -0.16 -0.10 -0.26 0.00 -0.36 0.00 0.00 55.97 55.09 1k1j s LYS 107 Cb -0.17 -3.36 -0.09 0.00 -1.51 0.00 0.00 37.83 32.70 1k1j s LYS 107 CO 0.06 0.42 0.88 -0.51 -0.36 0.00 0.00 175.35 175.83 1k1j s LEU 108 N -0.00 4.49 0.38 5.43 1.43 -0.02 -0.34 118.68 130.04 1k1j s LEU 108 Ca 0.12 1.78 0.05 0.00 -1.03 0.00 0.00 54.13 55.05 1k1j s LEU 108 Cb -0.12 -3.69 0.74 0.00 0.03 0.00 0.00 46.19 43.15 1k1j s LEU 108 CO 0.01 0.07 2.01 0.50 0.23 0.00 0.00 176.35 179.18 1k1j h LYS 109 N 3.74 0.64 -5.05 1.70 3.64 -1.22 -3.43 116.57 116.60 1k1j h LYS 109 Ca -0.46 -0.05 -0.32 0.00 -1.27 0.00 0.00 60.65 58.54 1k1j h LYS 109 Cb 1.20 -0.14 -0.15 0.00 -0.41 0.00 0.00 32.23 32.73 1k1j h LYS 109 CO 0.66 0.46 -0.72 -1.12 -2.27 0.00 0.00 179.45 176.47 1k1j s SER 110 N -6.62 1.72 0.20 4.20 0.01 -1.26 -5.00 113.70 106.95 1k1j s SER 110 Ca -0.09 -0.98 -0.30 0.00 1.31 0.00 0.00 55.95 55.90 1k1j s SER 110 Cb 0.17 -0.00 -0.08 0.00 0.21 0.00 0.00 66.02 66.32 1k1j s SER 110 CO 0.75 -0.32 1.02 0.00 0.41 0.00 0.00 173.24 175.10 1k1j s ALA 111 N -3.17 3.34 0.50 1.44 0.00 -1.26 -4.81 121.76 117.81 1k1j s ALA 111 Ca 0.14 0.71 -0.20 0.00 0.00 0.00 0.00 51.96 52.62 1k1j s ALA 111 Cb 0.02 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 1k1j s ALA 111 CO 0.00 -0.02 1.09 0.00 0.00 0.00 0.00 175.76 176.83 1k1j s ALA 112 N -0.67 2.81 -0.72 0.00 0.00 0.18 -4.97 121.76 118.39 1k1j s ALA 112 Ca 0.45 0.74 -0.23 0.00 0.00 0.00 0.00 51.96 52.92 1k1j s ALA 112 Cb -0.27 -3.31 0.06 0.00 0.00 0.00 0.00 23.12 19.60 1k1j s ALA 112 CO 0.34 -0.54 1.08 0.45 0.00 0.00 0.00 175.76 177.09 1k1j s SER 113 N -1.80 6.22 0.21 0.00 0.15 -1.26 -4.85 113.70 112.36 1k1j s SER 113 Ca 0.69 -0.96 -0.30 0.00 0.70 0.00 0.00 55.95 56.08 1k1j s SER 113 Cb -0.21 -2.46 -0.08 0.00 -1.71 0.00 0.00 66.02 61.55 1k1j s SER 113 CO 0.25 -1.52 1.19 -0.76 1.20 0.00 0.00 173.24 173.60 1k1j s LEU 114 N 4.42 4.46 0.00 3.45 1.43 -1.26 -4.76 118.68 126.43 1k1j s LEU 114 Ca 0.27 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 1k1j s LEU 114 Cb -0.13 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1k1j s LEU 114 CO 0.09 -0.34 0.00 -0.46 0.23 0.00 0.00 176.35 175.87 1k1j n ASN 115 N 2.22 0.00 -0.04 2.29 0.23 0.39 -4.98 115.26 115.38 1k1j n ASN 115 Ca 0.03 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 54.06 1k1j n ASN 115 Cb 0.45 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.37 1k1j n ASN 115 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1k1j h SER 116 N 0.00 0.59 0.01 0.53 0.87 -2.01 -3.15 113.55 110.40 1k1j h SER 116 Ca 0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1k1j h SER 116 Cb 0.00 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1k1j h SER 116 CO 0.00 0.70 -0.53 0.54 -0.53 0.00 0.00 176.83 177.01 1k1j n ARG 117 N -4.22 1.01 -3.65 2.24 1.74 -1.26 -4.75 116.66 107.77 1k1j n ARG 117 Ca 0.01 -0.82 -0.29 0.00 -0.77 0.00 0.00 57.85 55.99 1k1j n ARG 117 Cb 0.30 -1.48 -0.15 0.00 -1.02 0.00 0.00 32.46 30.10 1k1j n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1k1j s VAL 118 N -2.55 0.35 0.12 1.55 1.01 -1.19 -4.37 120.40 115.32 1k1j s VAL 118 Ca 0.17 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1k1j s VAL 118 Cb 0.18 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1k1j s VAL 118 CO 0.61 -0.57 -0.00 0.00 0.00 0.00 0.00 175.10 175.14 1k1j s ALA 119 N 1.90 0.98 0.33 5.51 0.00 -0.79 -0.46 121.76 129.23 1k1j s ALA 119 Ca 0.07 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 50.60 1k1j s ALA 119 Cb -0.17 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 1k1j s ALA 119 CO -0.25 -0.36 0.53 -1.54 0.00 0.00 0.00 175.76 174.14 1k1j s SER 120 N -3.06 6.30 0.06 0.00 1.04 -1.26 -2.89 113.70 113.88 1k1j s SER 120 Ca 0.18 0.43 0.05 0.00 0.48 0.00 0.00 55.95 57.09 1k1j s SER 120 Cb 0.07 -2.02 -0.04 0.00 0.10 0.00 0.00 66.02 64.13 1k1j s SER 120 CO -0.01 -0.27 -0.07 -0.51 0.98 0.00 0.00 173.24 173.36 1k1j s ILE 121 N -2.27 3.55 0.27 -1.02 1.10 -0.13 -4.89 121.20 117.82 1k1j s ILE 121 Ca 0.40 -1.02 -0.24 0.00 -0.51 0.00 0.00 60.65 59.28 1k1j s ILE 121 Cb -0.10 -2.61 -0.09 0.00 0.15 0.00 0.00 42.46 39.81 1k1j s ILE 121 CO 0.35 0.24 0.85 -0.44 -2.11 0.00 0.00 174.94 173.83 1k1j s SER 122 N -1.87 7.25 0.33 4.50 0.01 -1.26 -4.57 113.70 118.10 1k1j s SER 122 Ca 0.20 1.67 -0.26 0.00 1.31 0.00 0.00 55.95 58.87 1k1j s SER 122 Cb -0.11 -2.51 -0.10 0.00 0.21 0.00 0.00 66.02 63.51 1k1j s SER 122 CO 0.12 -0.00 0.95 -0.76 0.41 0.00 0.00 173.24 173.95 1k1j s LEU 123 N -1.93 4.32 0.62 2.44 1.43 -1.26 -0.66 118.68 123.63 1k1j s LEU 123 Ca 0.46 1.85 -0.17 0.00 -1.03 0.00 0.00 54.13 55.24 1k1j s LEU 123 Cb -0.18 -4.04 -0.02 0.00 0.03 0.00 0.00 46.19 41.98 1k1j s LEU 123 CO 0.23 -0.10 1.13 -2.16 0.23 0.00 0.00 176.35 175.68 1k1j s PRO 124 N -2.12 2.94 0.00 1.29 0.04 -1.26 -4.81 135.00 131.09 1k1j s PRO 124 Ca 0.51 1.51 0.18 0.00 0.04 0.00 0.00 61.00 63.24 1k1j s PRO 124 Cb -0.19 -1.96 -0.19 0.00 0.04 0.00 0.00 34.50 32.20 1k1j s PRO 124 CO 0.24 -1.16 0.79 0.25 0.04 0.00 0.00 177.00 177.16 1k1j n THR 125 N -2.03 0.00 -3.54 1.26 -2.24 -1.26 -4.93 114.28 101.53 1k1j n THR 125 Ca 0.11 -0.07 -0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1k1j n THR 125 Cb 0.51 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.72 1k1j n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1k1j s SER 127 N -2.73 -0.42 0.46 3.42 1.04 -1.26 -5.16 113.70 109.05 1k1j s SER 127 Ca 0.07 -0.18 -0.20 0.00 0.48 0.00 0.00 55.95 56.12 1k1j s SER 127 Cb 0.14 0.57 -0.10 0.00 0.10 0.00 0.00 66.02 66.73 1k1j s SER 127 CO 0.75 -0.97 0.99 0.00 0.98 0.00 0.00 173.24 174.99 1k1j s ALA 129 N -2.11 3.26 0.39 0.00 0.00 -1.26 -5.07 121.76 116.97 1k1j s ALA 129 Ca 0.64 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.82 1k1j s ALA 129 Cb -0.12 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 1k1j s ALA 129 CO 0.17 0.27 0.58 -1.54 0.00 0.00 0.00 175.76 175.24 1k1j s SER 130 N -2.07 5.99 0.51 0.00 1.04 -1.26 -5.03 113.70 112.88 1k1j s SER 130 Ca 0.53 0.21 -0.22 0.00 0.48 0.00 0.00 55.95 56.96 1k1j s SER 130 Cb -0.12 -1.60 -0.07 0.00 0.10 0.00 0.00 66.02 64.33 1k1j s SER 130 CO 0.18 -0.52 1.09 0.00 0.98 0.00 0.00 173.24 174.97 1k1j n ALA 132 N -1.88 0.60 0.00 5.32 0.00 -1.26 -2.18 120.51 121.11 1k1j n ALA 132 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1k1j n ALA 132 Cb 0.57 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1k1j n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k1j n GLY 133 N 1.09 2.91 3.68 0.00 0.00 0.99 -4.94 105.19 108.91 1k1j n GLY 133 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 1k1j n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k1j n THR 134 N -0.10 0.02 -3.12 2.61 -1.04 -0.92 -4.53 114.28 107.19 1k1j n THR 134 Ca 0.00 -0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.61 1k1j n THR 134 Cb 0.00 -1.65 -0.05 0.00 -1.82 0.00 0.00 70.33 66.81 1k1j n THR 134 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1k1j s GLN 135 N 1.05 4.40 0.24 -2.82 2.00 -1.26 -0.50 119.66 122.78 1k1j s GLN 135 Ca 0.78 0.79 0.05 0.00 -2.00 0.00 0.00 55.36 54.99 1k1j s GLN 135 Cb -0.64 -3.42 -0.05 0.00 0.80 0.00 0.00 33.01 29.70 1k1j s GLN 135 CO 0.37 0.16 -0.05 0.00 -0.50 0.00 0.00 175.29 175.28 1k1j s LEU 137 N -3.34 2.94 -0.04 0.00 2.96 0.49 -0.94 118.68 120.74 1k1j s LEU 137 Ca 0.27 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1k1j s LEU 137 Cb 0.04 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 1k1j s LEU 137 CO 0.09 0.05 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.45 1k1j s ILE 138 N 1.08 3.54 0.08 6.68 1.01 0.87 -1.48 121.20 132.98 1k1j s ILE 138 Ca 0.01 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 59.95 1k1j s ILE 138 Cb -0.15 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.87 1k1j s ILE 138 CO -0.00 0.54 0.20 -0.94 0.00 0.00 0.00 174.94 174.74 1k1j s SER 139 N -0.95 0.10 0.00 3.58 1.04 -1.23 -0.62 113.70 115.61 1k1j s SER 139 Ca 0.13 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1k1j s SER 139 Cb -0.11 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1k1j s SER 139 CO 0.03 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1k1j n GLY 140 N 0.07 0.34 1.31 7.32 0.00 -0.83 -4.41 105.19 108.99 1k1j n GLY 140 Ca -0.16 -1.14 0.01 0.00 0.00 0.00 0.00 46.02 44.73 1k1j n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1k1j n TRP 141 N -0.75 1.46 -1.45 1.61 8.01 -1.26 -2.36 117.44 122.70 1k1j n TRP 141 Ca 0.00 -1.15 -0.30 0.00 -1.31 0.00 0.00 57.50 54.74 1k1j n TRP 141 Cb 0.00 -0.48 0.23 0.00 -2.01 0.00 0.00 31.31 29.06 1k1j n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1k1j n GLY 142 N -0.55 -2.21 3.62 6.99 0.00 -1.25 -4.36 105.19 107.43 1k1j n GLY 142 Ca 0.30 -1.59 -0.46 0.00 0.00 0.00 0.00 46.02 44.27 1k1j n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k1j n ASN 143 N -4.44 1.96 -0.81 1.61 2.85 0.76 -2.61 115.26 114.58 1k1j n ASN 143 Ca 0.16 1.15 0.10 0.00 -0.11 0.00 0.00 54.58 55.89 1k1j n ASN 143 Cb 0.59 -1.33 0.08 0.00 1.24 0.00 0.00 39.78 40.36 1k1j n ASN 143 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1k1j n THR 144 N 1.31 0.00 -4.95 -0.44 -2.24 0.24 -0.56 114.28 107.64 1k1j n THR 144 Ca 0.12 -0.49 -0.32 0.00 -2.27 0.00 0.00 64.05 61.09 1k1j n THR 144 Cb 0.29 1.42 -0.14 0.00 -2.10 0.00 0.00 70.33 69.80 1k1j n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1k1j s LYS 145 N -1.75 2.66 0.06 -0.78 1.02 -1.26 -4.43 119.74 115.25 1k1j s LYS 145 Ca 0.24 -0.74 -0.16 0.00 0.02 0.00 0.00 55.97 55.33 1k1j s LYS 145 Cb 0.17 -2.38 -0.23 0.00 -0.52 0.00 0.00 37.83 34.88 1k1j s LYS 145 CO 0.27 0.50 1.17 0.77 -0.92 0.00 0.00 175.35 177.15 1k1j h SER 146 N 5.73 0.82 -3.94 2.83 0.02 -1.93 -3.40 113.55 113.67 1k1j h SER 146 Ca -0.40 -0.74 -0.67 0.00 -0.84 0.00 0.00 61.79 59.14 1k1j h SER 146 Cb 1.17 -0.25 -0.38 0.00 0.14 0.00 0.00 62.40 63.08 1k1j h SER 146 CO 0.51 1.45 -0.58 -0.44 -1.14 0.00 0.00 176.83 176.62 1k1j s SER 147 N -7.14 4.84 0.00 3.07 0.01 -1.26 -4.65 113.70 108.57 1k1j s SER 147 Ca -0.11 -2.53 0.00 0.00 1.31 0.00 0.00 55.95 54.62 1k1j s SER 147 Cb 0.06 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.57 1k1j s SER 147 CO 0.89 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.78 1k1j n GLY 148 N 3.83 0.49 2.70 3.44 0.00 -1.26 -5.05 105.19 109.33 1k1j n GLY 148 Ca 0.04 -2.21 -0.19 0.00 0.00 0.00 0.00 46.02 43.66 1k1j n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k1j s THR 149 N -0.54 -0.07 -0.21 2.61 2.01 -1.26 -4.64 115.64 113.53 1k1j s THR 149 Ca 0.00 0.35 -0.04 0.00 0.31 0.00 0.00 61.69 62.31 1k1j s THR 149 Cb 0.00 -0.15 0.11 0.00 0.01 0.00 0.00 72.50 72.47 1k1j s THR 149 CO 0.00 0.16 0.34 -0.55 -0.69 0.00 0.00 174.62 173.88 1k1j s SER 150 N 1.84 0.35 -0.16 3.53 0.15 -1.26 -4.98 113.70 113.17 1k1j s SER 150 Ca 0.01 0.34 -0.08 0.00 0.70 0.00 0.00 55.95 56.93 1k1j s SER 150 Cb -0.12 0.99 -0.04 0.00 -1.71 0.00 0.00 66.02 65.13 1k1j s SER 150 CO -0.03 -0.28 0.10 -0.31 1.20 0.00 0.00 173.24 173.91 1k1j s TYR 151 N 2.51 3.37 0.58 3.44 2.02 -1.26 -0.59 117.35 127.42 1k1j s TYR 151 Ca 0.08 0.27 -0.12 0.00 -0.37 0.00 0.00 57.07 56.93 1k1j s TYR 151 Cb -0.14 -2.04 -0.05 0.00 -0.40 0.00 0.00 41.96 39.32 1k1j s TYR 151 CO -0.14 0.37 0.99 -1.25 -1.57 0.00 0.00 175.55 173.95 1k1j s PRO 152 N -0.09 3.68 -0.08 -1.71 0.04 -1.26 -5.01 135.00 130.57 1k1j s PRO 152 Ca 0.08 0.74 -0.14 0.00 0.04 0.00 0.00 61.00 61.72 1k1j s PRO 152 Cb -0.12 -2.13 -0.29 0.00 0.04 0.00 0.00 34.50 32.01 1k1j s PRO 152 CO 0.01 -0.46 0.61 -0.44 0.04 0.00 0.00 177.00 176.76 1k1j h ASP 153 N 0.04 0.48 -2.06 6.66 3.32 -1.94 -3.47 116.42 119.45 1k1j h ASP 153 Ca -0.45 -0.89 -0.46 0.00 0.02 0.00 0.00 57.03 55.25 1k1j h ASP 153 Cb 1.19 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1k1j h ASP 153 CO 0.62 1.68 -0.42 0.68 -1.72 0.00 0.00 179.24 180.08 1k1j s VAL 154 N -2.51 4.77 0.19 -1.35 -7.23 -1.26 -0.78 120.40 112.22 1k1j s VAL 154 Ca -0.18 -1.05 -0.31 0.00 -1.81 0.00 0.00 61.98 58.63 1k1j s VAL 154 Cb 0.05 -3.66 -0.10 0.00 0.56 0.00 0.00 36.38 33.23 1k1j s VAL 154 CO 0.80 -0.28 1.47 -0.22 -0.31 0.00 0.00 175.10 176.57 1k1j s LEU 155 N -4.02 4.38 -0.02 1.32 2.96 -1.18 -4.86 118.68 117.26 1k1j s LEU 155 Ca 0.37 2.57 0.01 0.00 -0.22 0.00 0.00 54.13 56.86 1k1j s LEU 155 Cb -0.09 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1k1j s LEU 155 CO 0.29 -0.73 0.00 -0.54 -1.32 0.00 0.00 176.35 174.06 1k1j s LYS 156 N 0.49 2.83 0.19 1.98 -0.14 -1.00 -1.83 119.74 122.27 1k1j s LYS 156 Ca 0.64 -0.57 0.11 0.00 -1.36 0.00 0.00 55.97 54.79 1k1j s LYS 156 Cb -0.41 -2.70 -0.04 0.00 -1.68 0.00 0.00 37.83 33.00 1k1j s LYS 156 CO 0.36 0.64 -0.23 0.00 -0.76 0.00 0.00 175.35 175.36 1k1j s LEU 158 N -2.67 -0.26 -0.18 0.00 2.96 0.20 -0.25 118.68 118.48 1k1j s LEU 158 Ca 0.20 0.97 -0.13 0.00 -0.22 0.00 0.00 54.13 54.95 1k1j s LEU 158 Cb -0.07 1.45 -0.05 0.00 0.50 0.00 0.00 46.19 48.02 1k1j s LEU 158 CO 0.09 -0.20 0.24 -0.54 -1.32 0.00 0.00 176.35 174.62 1k1j s LYS 159 N 1.62 4.22 -0.08 1.98 1.02 -1.26 -0.09 119.74 127.15 1k1j s LYS 159 Ca -0.08 -0.02 -0.12 0.00 0.02 0.00 0.00 55.97 55.77 1k1j s LYS 159 Cb -0.09 -3.44 0.03 0.00 -0.52 0.00 0.00 37.83 33.81 1k1j s LYS 159 CO -0.13 0.22 0.30 0.00 -0.92 0.00 0.00 175.35 174.81 1k1j s ALA 160 N 0.54 -0.74 0.40 5.17 0.00 -0.11 -4.96 121.76 122.06 1k1j s ALA 160 Ca 0.13 0.63 -0.10 0.00 0.00 0.00 0.00 51.96 52.62 1k1j s ALA 160 Cb -0.12 -0.28 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 1k1j s ALA 160 CO 0.02 -0.19 0.76 -1.25 0.00 0.00 0.00 175.76 175.11 1k1j s PRO 161 N -0.41 3.78 0.01 0.00 0.04 -1.26 -0.62 135.00 136.53 1k1j s PRO 161 Ca -0.05 0.46 -0.30 0.00 0.04 0.00 0.00 61.00 61.15 1k1j s PRO 161 Cb -0.04 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 1k1j s PRO 161 CO 0.02 -0.02 0.98 0.42 0.04 0.00 0.00 177.00 178.43 1k1j s ILE 162 N -2.35 4.83 0.58 0.56 1.01 0.35 -1.84 121.20 124.33 1k1j s ILE 162 Ca 0.51 2.06 -0.05 0.00 0.00 0.00 0.00 60.65 63.17 1k1j s ILE 162 Cb -0.10 -4.32 0.01 0.00 0.01 0.00 0.00 42.46 38.05 1k1j s ILE 162 CO 0.31 0.18 0.88 -0.76 0.00 0.00 0.00 174.94 175.55 1k1j s LEU 163 N 0.91 3.27 0.56 2.97 1.43 0.25 -0.01 118.68 128.06 1k1j s LEU 163 Ca 0.51 0.69 -0.18 0.00 -1.03 0.00 0.00 54.13 54.13 1k1j s LEU 163 Cb -0.21 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 1k1j s LEU 163 CO 0.28 -1.02 1.07 -0.94 0.23 0.00 0.00 176.35 175.97 1k1j s SER 164 N -4.29 5.85 0.37 2.29 1.04 -1.26 -4.63 113.70 113.07 1k1j s SER 164 Ca 0.53 1.95 0.08 0.00 0.48 0.00 0.00 55.95 59.00 1k1j s SER 164 Cb -0.10 -2.55 0.74 0.00 0.10 0.00 0.00 66.02 64.20 1k1j s SER 164 CO 0.45 -1.12 1.91 0.44 0.98 0.00 0.00 173.24 175.89 1k1j h ASP 165 N 0.89 0.29 -0.46 7.02 3.45 -1.97 -0.74 116.42 124.90 1k1j h ASP 165 Ca -0.48 -0.06 -0.02 0.00 0.43 0.00 0.00 57.03 56.90 1k1j h ASP 165 Cb 1.23 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.91 1k1j h ASP 165 CO 0.57 0.43 0.21 0.77 -1.57 0.00 0.00 179.24 179.65 1k1j h SER 166 N 0.29 0.61 -0.48 6.45 4.64 -1.98 0.15 113.55 123.23 1k1j h SER 166 Ca 0.06 -0.14 -0.08 0.00 -0.47 0.00 0.00 61.79 61.16 1k1j h SER 166 Cb 0.36 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1k1j h SER 166 CO 0.02 0.58 -0.02 0.28 -0.87 0.00 0.00 176.83 176.82 1k1j h SER 167 N 0.60 0.85 0.19 4.97 0.02 -1.82 -0.99 113.55 117.37 1k1j h SER 167 Ca 0.16 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1k1j h SER 167 Cb 0.14 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1k1j h SER 167 CO -0.02 0.96 -0.17 0.00 -1.14 0.00 0.00 176.83 176.47 1k1j h LYS 169 N -0.38 0.00 -0.15 0.00 1.57 -0.66 -1.22 116.57 115.73 1k1j h LYS 169 Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1k1j h LYS 169 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1k1j h LYS 169 CO -0.03 0.23 -0.53 0.77 -0.57 0.00 0.00 179.45 179.32 1k1j h SER 170 N 0.00 0.48 0.14 0.86 0.02 -0.71 -2.32 113.55 112.02 1k1j h SER 170 Ca -0.00 -0.25 -0.20 0.00 -0.84 0.00 0.00 61.79 60.50 1k1j h SER 170 Cb 0.51 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1k1j h SER 170 CO 0.03 0.92 -0.76 0.00 -1.14 0.00 0.00 176.83 175.88 1k1j h ALA 171 N 1.09 0.49 -2.28 3.77 0.00 -0.48 -3.38 119.26 118.47 1k1j h ALA 171 Ca 0.01 -0.61 -0.59 0.00 0.00 0.00 0.00 54.91 53.72 1k1j h ALA 171 Cb 1.04 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 18.39 1k1j h ALA 171 CO 0.09 0.74 -0.83 0.66 0.00 0.00 0.00 179.25 179.92 1k1j n TYR 172 N -3.86 1.52 -1.67 0.00 4.01 -0.53 -4.94 117.16 111.68 1k1j n TYR 172 Ca -0.05 -3.85 -0.46 0.00 -0.16 0.00 0.00 57.90 53.38 1k1j n TYR 172 Cb 0.73 -0.38 -0.04 0.00 -0.31 0.00 0.00 39.34 39.34 1k1j n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1k1j n PRO 173 N 1.49 2.20 -0.89 -0.72 -0.02 -0.88 -2.03 135.00 134.15 1k1j n PRO 173 Ca 0.25 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1k1j n PRO 173 Cb 0.45 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1k1j n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k1j n GLY 174 N 3.65 0.25 0.00 -1.23 0.00 -1.26 -4.80 105.19 101.81 1k1j n GLY 174 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 1k1j n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k1j n GLN 175 N -1.02 1.79 -3.24 1.61 6.02 -0.86 -4.97 117.38 116.70 1k1j n GLN 175 Ca 0.00 -0.05 -0.39 0.00 -0.01 0.00 0.00 57.00 56.54 1k1j n GLN 175 Cb 0.20 -1.14 -0.07 0.00 1.02 0.00 0.00 30.24 30.26 1k1j n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1k1j s ILE 176 N -2.40 5.10 0.47 5.09 -1.09 -1.23 -5.03 121.20 122.11 1k1j s ILE 176 Ca -0.00 0.98 0.08 0.00 -2.23 0.00 0.00 60.65 59.48 1k1j s ILE 176 Cb 0.07 -3.85 0.02 0.00 -1.58 0.00 0.00 42.46 37.12 1k1j s ILE 176 CO 0.44 0.18 0.53 0.42 -1.23 0.00 0.00 174.94 175.27 1k1j s THR 177 N 1.60 2.49 -1.06 2.92 -4.23 -1.26 -4.98 115.64 111.11 1k1j s THR 177 Ca 0.25 -1.19 0.12 0.00 -1.18 0.00 0.00 61.69 59.69 1k1j s THR 177 Cb -0.15 -2.68 0.12 0.00 1.34 0.00 0.00 72.50 71.12 1k1j s THR 177 CO 0.10 0.00 1.38 -1.54 -0.54 0.00 0.00 174.62 174.02 1k1j n SER 178 N -1.82 0.00 -1.84 3.99 3.41 -1.26 -2.06 113.62 114.04 1k1j n SER 178 Ca 0.07 0.44 0.04 0.00 -0.26 0.00 0.00 58.87 59.16 1k1j n SER 178 Cb 0.61 -0.47 0.37 0.00 -0.26 0.00 0.00 64.21 64.46 1k1j n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1k1j n ASN 179 N -1.47 5.35 -4.02 4.04 3.02 -1.26 -4.90 115.26 116.02 1k1j n ASN 179 Ca 0.03 -3.03 -0.10 0.00 -0.03 0.00 0.00 54.58 51.45 1k1j n ASN 179 Cb 0.14 -0.69 -0.11 0.00 -0.61 0.00 0.00 39.78 38.51 1k1j n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1k1j s MET 180 N -2.85 0.41 0.01 3.52 -1.94 -0.88 -1.05 119.30 116.52 1k1j s MET 180 Ca 0.54 -0.72 -0.10 0.00 -1.71 0.00 0.00 55.69 53.71 1k1j s MET 180 Cb 0.42 0.00 0.01 0.00 2.01 0.00 0.00 34.83 37.27 1k1j s MET 180 CO 0.15 -0.03 0.19 -0.59 -0.01 0.00 0.00 175.02 174.73 1k1j s PHE 181 N -1.69 -0.01 0.05 -0.03 -0.12 -0.53 -4.76 117.98 110.89 1k1j s PHE 181 Ca -0.12 -0.07 -0.06 0.00 -0.05 0.00 0.00 56.93 56.63 1k1j s PHE 181 Cb -0.08 -0.01 -0.05 0.00 -0.63 0.00 0.00 43.02 42.25 1k1j s PHE 181 CO -0.01 -0.34 0.30 0.00 -0.05 0.00 0.00 175.22 175.11 1k1j s ALA 183 N -1.42 -0.85 0.00 0.00 0.00 -0.71 -0.58 121.76 118.20 1k1j s ALA 183 Ca 0.32 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1k1j s ALA 183 Cb -0.13 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1k1j s ALA 183 CO 0.20 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1k1j n GLY 184 N 3.00 0.74 2.93 0.00 0.00 -0.77 -2.49 105.19 108.61 1k1j n GLY 184 Ca -0.14 -1.63 -0.26 0.00 0.00 0.00 0.00 46.02 43.99 1k1j n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k1j s TYR 184 N -3.77 1.46 0.31 1.61 1.51 -1.26 -4.43 117.35 112.78 1k1j s TYR 184 Ca 0.00 -0.68 0.30 0.00 -1.01 0.00 0.00 57.07 55.68 1k1j s TYR 184 Cb 0.00 -1.18 1.43 0.00 -0.11 0.00 0.00 41.96 42.10 1k1j s TYR 184 CO 0.00 -0.45 2.03 -0.07 -1.11 0.00 0.00 175.55 175.95 1k1j h LEU 185 N 7.85 0.00 -0.08 -1.29 3.38 -1.94 -1.83 115.31 121.39 1k1j h LEU 185 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1k1j h LEU 185 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1k1j h LEU 185 CO 0.43 0.10 0.00 -1.84 0.09 0.00 0.00 178.44 177.22 1k1j n GLU 186 N -3.40 0.04 0.00 1.13 0.00 -1.26 0.40 120.64 117.55 1k1j n GLU 186 Ca -0.01 0.19 0.00 0.00 0.00 0.00 0.00 57.16 57.34 1k1j n GLU 186 Cb 0.28 -1.57 0.00 0.00 0.00 0.00 0.00 31.44 30.15 1k1j n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1k1j n GLY 187 N 0.56 -2.36 2.13 -1.84 0.00 -0.69 -4.57 105.19 98.43 1k1j n GLY 187 Ca 0.05 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1k1j n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1j n GLY 188 N -0.93 2.39 2.68 -0.02 0.00 -0.05 -4.93 105.19 104.32 1k1j n GLY 188 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1k1j n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k1j s LYS 188 N -0.37 0.01 0.00 1.61 1.02 -1.26 -3.45 119.74 117.31 1k1j s LYS 188 Ca 0.00 0.24 -0.29 0.00 0.02 0.00 0.00 55.97 55.94 1k1j s LYS 188 Cb 0.00 -0.96 0.10 0.00 -0.52 0.00 0.00 37.83 36.45 1k1j s LYS 188 CO 0.00 -0.46 1.11 0.34 -0.92 0.00 0.00 175.35 175.41 1k1j s ASP 189 N 2.19 -0.16 0.73 2.83 2.15 -0.40 -4.10 116.67 119.91 1k1j s ASP 189 Ca 0.04 -0.17 -0.10 0.00 0.43 0.00 0.00 52.55 52.75 1k1j s ASP 189 Cb -0.14 0.29 0.05 0.00 -0.30 0.00 0.00 42.92 42.83 1k1j s ASP 189 CO -0.06 -0.52 1.08 -0.94 -0.17 0.00 0.00 175.17 174.56 1k1j s SER 190 N -2.74 4.99 0.18 -0.34 1.04 -1.26 -0.40 113.70 115.17 1k1j s SER 190 Ca 0.11 0.80 -0.03 0.00 0.48 0.00 0.00 55.95 57.31 1k1j s SER 190 Cb 0.01 -1.48 0.01 0.00 0.10 0.00 0.00 66.02 64.66 1k1j s SER 190 CO -0.03 -1.56 0.28 0.00 0.98 0.00 0.00 173.24 172.91 1k1j n GLN 192 N -0.28 1.69 0.00 0.00 6.02 -1.26 -1.17 117.38 122.39 1k1j n GLN 192 Ca -0.01 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.57 1k1j n GLN 192 Cb 0.29 -2.07 0.00 0.00 1.02 0.00 0.00 30.24 29.48 1k1j n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k1j n GLY 193 N 1.13 3.33 0.14 1.08 0.00 -1.26 -0.17 105.19 109.43 1k1j n GLY 193 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.19 1k1j n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k1j h ASP 194 N 0.00 0.00 -1.60 1.61 3.32 -1.45 -3.33 116.42 114.96 1k1j h ASP 194 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 1k1j h ASP 194 Cb 0.00 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.65 1k1j h ASP 194 CO 0.00 0.12 -0.16 -1.20 -1.72 0.00 0.00 179.24 176.28 1k1j n SER 195 N -2.84 0.03 0.00 6.45 7.64 -1.25 -0.81 113.62 122.84 1k1j n SER 195 Ca -0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1k1j n SER 195 Cb 0.60 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 1k1j n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k1j n GLY 196 N 1.72 3.08 3.61 0.23 0.00 0.02 -0.44 105.19 113.42 1k1j n GLY 196 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1k1j n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k1j s GLY 197 N -1.86 1.64 0.46 -0.02 0.00 0.01 -3.63 107.32 103.91 1k1j s GLY 197 Ca 0.00 0.32 -0.20 0.00 0.00 0.00 0.00 44.72 44.84 1k1j s GLY 197 CO 0.00 0.84 0.96 2.56 0.00 0.00 0.00 173.10 177.46 1k1j s PRO 198 N -4.60 4.13 -0.33 2.90 0.04 -1.26 -0.65 135.00 135.23 1k1j s PRO 198 Ca 0.67 1.08 -0.00 0.00 0.04 0.00 0.00 61.00 62.79 1k1j s PRO 198 Cb -0.23 -2.16 0.11 0.00 0.04 0.00 0.00 34.50 32.25 1k1j s PRO 198 CO 0.60 -0.11 0.12 0.08 0.04 0.00 0.00 177.00 177.73 1k1j s VAL 199 N -2.31 0.98 -0.21 -0.36 1.01 -0.57 -3.48 120.40 115.46 1k1j s VAL 199 Ca 0.61 -1.60 -0.09 0.00 0.00 0.00 0.00 61.98 60.90 1k1j s VAL 199 Cb -0.09 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1k1j s VAL 199 CO 0.19 -0.71 0.11 -0.69 0.00 0.00 0.00 175.10 173.99 1k1j s VAL 200 N 1.40 5.06 -0.12 2.92 1.01 -0.55 -0.82 120.40 129.31 1k1j s VAL 200 Ca 0.11 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1k1j s VAL 200 Cb -0.18 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 32.89 1k1j s VAL 200 CO -0.20 0.41 -0.11 0.00 0.00 0.00 0.00 175.10 175.19 1k1j n SER 202 N 4.64 -2.07 0.00 0.00 7.64 -1.26 -1.13 113.62 121.44 1k1j n SER 202 Ca -0.16 -0.87 0.00 0.00 1.01 0.00 0.00 58.87 58.85 1k1j n SER 202 Cb 0.50 -3.69 0.00 0.00 -1.01 0.00 0.00 64.21 60.02 1k1j n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k1j n GLY 203 N -1.69 0.33 3.30 0.23 0.00 -1.26 -5.00 105.19 101.10 1k1j n GLY 203 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1k1j n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k1j s LYS 204 N -0.79 1.70 -0.73 1.61 -0.14 -0.28 -3.98 119.74 117.12 1k1j s LYS 204 Ca 0.00 -1.01 -0.27 0.00 -1.36 0.00 0.00 55.97 53.33 1k1j s LYS 204 Cb 0.00 -1.82 0.03 0.00 -1.68 0.00 0.00 37.83 34.36 1k1j s LYS 204 CO 0.00 0.47 1.30 -1.17 -0.76 0.00 0.00 175.35 175.19 1k1j s LEU 209 N -1.10 3.17 -0.01 3.17 2.96 0.16 -0.36 118.68 126.67 1k1j s LEU 209 Ca 0.10 -0.41 0.17 0.00 -0.22 0.00 0.00 54.13 53.77 1k1j s LEU 209 Cb -0.09 -2.58 -0.19 0.00 0.50 0.00 0.00 46.19 43.83 1k1j s LEU 209 CO 0.01 -1.85 0.63 0.00 -1.32 0.00 0.00 176.35 173.83 1k1j n GLN 210 N 9.35 0.64 -4.11 1.98 1.13 -0.00 -4.09 117.38 122.28 1k1j n GLN 210 Ca 0.04 0.16 -0.10 0.00 -1.94 0.00 0.00 57.00 55.15 1k1j n GLN 210 Cb 0.49 -1.73 -0.09 0.00 0.11 0.00 0.00 30.24 29.03 1k1j n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1k1j s GLY 211 N -4.95 0.99 -0.08 1.08 0.00 -0.79 -1.98 107.32 101.59 1k1j s GLY 211 Ca -0.05 -1.35 0.02 0.00 0.00 0.00 0.00 44.72 43.34 1k1j s GLY 211 CO 0.83 -1.15 -0.12 -0.42 0.00 0.00 0.00 173.10 172.24 1k1j s ILE 212 N -4.07 1.14 -0.10 0.90 1.01 -1.11 -1.51 121.20 117.46 1k1j s ILE 212 Ca 0.28 -0.46 -0.33 0.00 0.00 0.00 0.00 60.65 60.15 1k1j s ILE 212 Cb 0.05 -1.06 -0.11 0.00 0.01 0.00 0.00 42.46 41.35 1k1j s ILE 212 CO 0.07 0.36 1.94 0.52 0.00 0.00 0.00 174.94 177.83 1k1j n VAL 213 N 4.04 0.57 0.00 2.92 0.31 0.18 -1.65 118.33 124.70 1k1j n VAL 213 Ca -0.21 -0.14 -0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1k1j n VAL 213 Cb 0.51 -1.98 -0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1k1j n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1k1j n SER 214 N 7.35 0.23 -2.40 4.52 2.88 -1.14 -0.79 113.62 124.26 1k1j n SER 214 Ca 0.24 0.03 -0.08 0.00 -1.33 0.00 0.00 58.87 57.73 1k1j n SER 214 Cb 0.32 -0.19 0.01 0.00 -0.75 0.00 0.00 64.21 63.59 1k1j n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1k1j n TRP 215 N -2.71 -1.75 0.00 0.66 4.27 -0.79 -4.91 117.44 112.22 1k1j n TRP 215 Ca -0.01 -1.53 0.00 0.00 -3.89 0.00 0.00 57.50 52.07 1k1j n TRP 215 Cb 0.02 0.60 0.00 0.00 -1.36 0.00 0.00 31.31 30.57 1k1j n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1k1j n GLY 216 N -0.41 1.00 3.45 -1.67 0.00 -1.26 -0.61 105.19 105.68 1k1j n GLY 216 Ca -0.04 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 1k1j n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1k1j s SER 217 N 0.00 6.29 0.17 1.61 0.15 -1.26 -4.86 113.70 115.80 1k1j s SER 217 Ca 0.00 -1.28 0.00 0.00 0.70 0.00 0.00 55.95 55.37 1k1j s SER 217 Cb 0.00 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 1k1j s SER 217 CO 0.00 -1.34 0.00 0.61 1.20 0.00 0.00 173.24 173.71 1k1j n GLY 219 N 5.40 -0.31 2.88 9.45 0.00 -1.26 -4.63 105.19 116.71 1k1j n GLY 219 Ca 0.03 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 1k1j n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1j n ALA 221 N 3.84 -0.74 -1.96 0.00 0.00 -1.26 -4.61 120.51 115.78 1k1j n ALA 221 Ca -0.23 0.12 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 1k1j n ALA 221 Cb 0.54 -1.75 -0.07 0.00 0.00 0.00 0.00 19.45 18.17 1k1j n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1k1j s GLN 221 N -5.05 4.12 0.19 0.00 -1.52 -1.26 -0.87 119.66 115.27 1k1j s GLN 221 Ca 0.01 0.91 -0.32 0.00 -1.95 0.00 0.00 55.36 54.01 1k1j s GLN 221 Cb -0.00 -2.29 -0.11 0.00 -0.22 0.00 0.00 33.01 30.38 1k1j s GLN 221 CO 0.01 0.05 1.65 0.21 -0.25 0.00 0.00 175.29 176.96 1k1j s LYS 222 N -3.11 4.16 -0.85 2.91 2.47 -1.26 -2.43 119.74 121.64 1k1j s LYS 222 Ca 0.58 2.50 0.00 0.00 -1.56 0.00 0.00 55.97 57.49 1k1j s LYS 222 Cb -0.10 -3.11 0.00 0.00 -1.46 0.00 0.00 37.83 33.17 1k1j s LYS 222 CO 0.15 -0.68 0.00 0.09 0.16 0.00 0.00 175.35 175.07 1k1j n ASN 223 N 3.92 -5.38 -3.49 1.43 3.02 0.16 -4.91 115.26 110.02 1k1j n ASN 223 Ca 0.15 0.20 -0.27 0.00 -0.03 0.00 0.00 54.58 54.63 1k1j n ASN 223 Cb 0.37 -3.58 -0.09 0.00 -0.61 0.00 0.00 39.78 35.87 1k1j n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k1j n LYS 224 N -0.88 1.67 -0.90 3.52 4.76 -1.02 -4.73 118.16 120.58 1k1j n LYS 224 Ca -0.08 -4.12 -0.29 0.00 -2.87 0.00 0.00 58.31 50.95 1k1j n LYS 224 Cb 0.50 -1.96 0.22 0.00 -1.84 0.00 0.00 35.03 31.95 1k1j n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1k1j s PRO 225 N -1.63 -0.71 0.31 1.97 0.04 -1.26 -4.30 135.00 129.42 1k1j s PRO 225 Ca 0.34 0.41 -0.26 0.00 0.04 0.00 0.00 61.00 61.53 1k1j s PRO 225 Cb 0.09 -1.61 -0.10 0.00 0.04 0.00 0.00 34.50 32.92 1k1j s PRO 225 CO -0.10 -3.47 0.92 0.20 0.04 0.00 0.00 177.00 174.59 1k1j s GLY 226 N -3.27 2.80 -0.13 0.56 0.00 -1.04 -4.58 107.32 101.67 1k1j s GLY 226 Ca 0.68 0.50 -0.02 0.00 0.00 0.00 0.00 44.72 45.87 1k1j s GLY 226 CO 0.59 0.94 -0.05 0.14 0.00 0.00 0.00 173.10 174.72 1k1j s VAL 227 N -1.58 3.77 0.13 1.40 1.01 0.22 -1.73 120.40 123.61 1k1j s VAL 227 Ca 0.49 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 62.13 1k1j s VAL 227 Cb -0.19 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1k1j s VAL 227 CO 0.24 0.53 -0.19 -0.31 0.00 0.00 0.00 175.10 175.37 1k1j s TYR 228 N -0.02 1.76 -0.04 5.22 1.51 0.61 -1.88 117.35 124.50 1k1j s TYR 228 Ca 0.00 -0.45 -0.30 0.00 -1.01 0.00 0.00 57.07 55.31 1k1j s TYR 228 Cb -0.13 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 1k1j s TYR 228 CO 0.03 0.25 1.32 0.99 -1.11 0.00 0.00 175.55 177.03 1k1j s THR 229 N -1.59 3.97 -1.07 -0.71 2.01 -0.66 -1.46 115.64 116.13 1k1j s THR 229 Ca 0.10 1.31 -0.22 0.00 0.31 0.00 0.00 61.69 63.19 1k1j s THR 229 Cb -0.08 -3.84 0.01 0.00 0.01 0.00 0.00 72.50 68.60 1k1j s THR 229 CO 0.05 -0.02 1.70 -0.75 -0.69 0.00 0.00 174.62 174.91 1k1j s LYS 230 N 2.52 3.28 0.39 4.92 2.20 -0.21 -2.74 119.74 130.10 1k1j s LYS 230 Ca 0.60 -1.11 0.15 0.00 -0.36 0.00 0.00 55.97 55.25 1k1j s LYS 230 Cb -0.28 -5.31 1.01 0.00 -1.51 0.00 0.00 37.83 31.74 1k1j s LYS 230 CO 0.24 -2.74 1.83 0.28 -0.36 0.00 0.00 175.35 174.60 1k1j h VAL 231 N 6.57 0.67 0.00 4.02 2.07 -1.71 -1.26 116.25 126.61 1k1j h VAL 231 Ca 0.23 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1k1j h VAL 231 Cb 0.97 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1k1j h VAL 231 CO 1.36 0.09 0.07 0.00 0.02 0.00 0.00 177.57 179.10 1k1j n ASN 233 N -2.99 0.23 -0.38 0.00 3.02 -0.47 -3.88 115.26 110.79 1k1j n ASN 233 Ca -0.03 0.28 0.04 0.00 -0.03 0.00 0.00 54.58 54.85 1k1j n ASN 233 Cb 0.13 -0.29 0.06 0.00 -0.61 0.00 0.00 39.78 39.07 1k1j n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1k1j n TYR 234 N -1.59 0.11 -0.15 3.10 4.01 0.10 -4.77 117.16 117.98 1k1j n TYR 234 Ca 0.06 -0.16 -0.03 0.00 -0.16 0.00 0.00 57.90 57.62 1k1j n TYR 234 Cb 0.35 -0.01 0.05 0.00 -0.31 0.00 0.00 39.34 39.42 1k1j n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1k1j h VAL 235 N 1.61 0.61 -0.71 -0.72 2.07 -1.63 0.81 116.25 118.29 1k1j h VAL 235 Ca 0.00 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1k1j h VAL 235 Cb 0.45 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1k1j h VAL 235 CO 0.00 0.02 0.23 0.28 0.02 0.00 0.00 177.57 178.12 1k1j h SER 236 N 0.09 1.02 -0.09 0.57 0.02 -1.89 -1.43 113.55 111.84 1k1j h SER 236 Ca 0.24 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1k1j h SER 236 Cb 0.36 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 1k1j h SER 236 CO -0.42 0.95 0.04 -0.25 -1.14 0.00 0.00 176.83 176.01 1k1j h TRP 237 N 1.03 0.14 0.19 3.45 7.01 -1.66 0.19 115.95 126.30 1k1j h TRP 237 Ca 0.23 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.23 1k1j h TRP 237 Cb 0.29 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.28 1k1j h TRP 237 CO 0.02 0.26 -0.26 0.82 -2.79 0.00 0.00 178.44 176.49 1k1j h ILE 238 N -0.01 0.45 -0.38 2.65 2.04 -0.71 0.20 117.51 121.74 1k1j h ILE 238 Ca 0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.93 1k1j h ILE 238 Cb 0.18 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1k1j h ILE 238 CO -0.00 0.00 0.16 0.11 0.00 0.00 0.00 178.15 178.42 1k1j h LYS 239 N -0.50 0.32 -0.54 2.37 1.57 -1.18 0.01 116.57 118.62 1k1j h LYS 239 Ca 0.01 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1k1j h LYS 239 Cb 0.49 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1k1j h LYS 239 CO -0.10 0.21 0.19 1.96 -0.57 0.00 0.00 179.45 181.14 1k1j h GLN 240 N 0.33 0.83 -0.30 3.15 4.20 -0.76 -0.54 115.11 122.03 1k1j h GLN 240 Ca 0.17 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1k1j h GLN 240 Cb 0.12 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1k1j h GLN 240 CO -0.15 0.74 0.07 1.15 -0.67 0.00 0.00 178.83 179.98 1k1j h THR 241 N 0.74 1.22 -0.60 -0.54 2.02 -0.67 -1.89 112.91 113.19 1k1j h THR 241 Ca 0.18 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1k1j h THR 241 Cb 0.24 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1k1j h THR 241 CO -0.01 0.24 0.34 0.40 0.37 0.00 0.00 175.52 176.86 1k1j h ILE 242 N 0.31 1.19 0.00 3.11 2.04 -0.88 -2.15 117.51 121.14 1k1j h ILE 242 Ca 0.09 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1k1j h ILE 242 Cb 0.29 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1k1j h ILE 242 CO 0.00 0.20 -0.06 0.00 0.00 0.00 0.00 178.15 178.28 1k1j h ALA 243 N 1.17 1.81 -0.29 1.87 0.00 -0.87 -2.34 119.26 120.59 1k1j h ALA 243 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1k1j h ALA 243 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1k1j h ALA 243 CO -0.04 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 1k1j n SER 244 N -4.34 3.02 0.00 0.00 3.41 -0.73 -5.09 113.62 109.89 1k1j n SER 244 Ca -0.03 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 1k1j n SER 244 Cb 0.15 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1k1j n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47