#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tpa s VAL 17 N 0.00 5.33 0.00 1.39 1.01 0.73 -4.05 120.40 124.81 1tpa s VAL 17 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1tpa s VAL 17 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1tpa s VAL 17 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1tpa n GLY 18 N 4.61 0.59 0.00 4.51 0.00 -1.22 -1.05 105.19 112.64 1tpa n GLY 18 Ca -0.14 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1tpa n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tpa n GLY 19 N -2.67 2.27 3.11 -0.02 0.00 -1.26 -4.86 105.19 101.75 1tpa n GLY 19 Ca 0.00 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 1tpa n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1tpa s TYR 20 N 1.91 0.64 -0.03 1.61 -0.85 -0.10 -4.93 117.35 115.61 1tpa s TYR 20 Ca 0.00 -0.91 -0.30 0.00 -0.52 0.00 0.00 57.07 55.34 1tpa s TYR 20 Cb 0.00 -0.42 -0.05 0.00 0.38 0.00 0.00 41.96 41.87 1tpa s TYR 20 CO 0.00 -0.25 1.42 0.99 -1.52 0.00 0.00 175.55 176.19 1tpa s THR 21 N -3.36 3.76 0.25 -3.49 2.01 -1.26 -0.33 115.64 113.22 1tpa s THR 21 Ca 0.05 1.09 -0.04 0.00 0.31 0.00 0.00 61.69 63.10 1tpa s THR 21 Cb 0.04 -3.70 0.18 0.00 0.01 0.00 0.00 72.50 69.03 1tpa s THR 21 CO -0.06 -0.03 1.84 0.00 -0.69 0.00 0.00 174.62 175.68 1tpa n GLY 23 N -1.00 2.13 3.70 0.00 0.00 -1.26 -4.83 105.19 103.92 1tpa n GLY 23 Ca 0.07 -1.55 -0.44 0.00 0.00 0.00 0.00 46.02 44.11 1tpa n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tpa n ALA 24 N 2.04 2.07 -1.89 4.61 0.00 -1.26 -2.74 120.51 123.34 1tpa n ALA 24 Ca 0.00 0.41 -0.18 0.00 0.00 0.00 0.00 53.44 53.67 1tpa n ALA 24 Cb 0.00 -2.42 -0.05 0.00 0.00 0.00 0.00 19.45 16.98 1tpa n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1tpa n ASN 25 N 3.09 -4.89 -0.43 0.00 3.02 -1.26 -4.89 115.26 109.90 1tpa n ASN 25 Ca 0.14 0.28 0.13 0.00 -0.03 0.00 0.00 54.58 55.10 1tpa n ASN 25 Cb 0.33 -4.26 0.35 0.00 -0.61 0.00 0.00 39.78 35.59 1tpa n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1tpa n THR 26 N -2.85 0.00 -3.45 3.41 -2.24 -1.11 -4.14 114.28 103.91 1tpa n THR 26 Ca -0.19 -0.22 -0.27 0.00 -2.27 0.00 0.00 64.05 61.10 1tpa n THR 26 Cb 0.62 0.65 -0.08 0.00 -2.10 0.00 0.00 70.33 69.41 1tpa n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1tpa n VAL 27 N -0.10 2.05 0.37 2.28 0.31 -1.26 -4.96 118.33 117.02 1tpa n VAL 27 Ca 0.14 -5.09 0.06 0.00 -0.01 0.00 0.00 64.34 59.44 1tpa n VAL 27 Cb 0.39 -2.09 0.27 0.00 -0.91 0.00 0.00 33.84 31.50 1tpa n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1tpa n PRO 28 N 1.00 0.03 0.00 5.55 -0.04 -1.26 -2.30 135.00 137.98 1tpa n PRO 28 Ca 0.28 0.34 0.13 0.00 -0.04 0.00 0.00 63.50 64.21 1tpa n PRO 28 Cb 0.41 -1.56 0.24 0.00 -0.04 0.00 0.00 33.50 32.56 1tpa n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1tpa n TYR 29 N -1.61 0.00 -2.61 0.54 0.18 -1.14 -2.43 117.16 110.09 1tpa n TYR 29 Ca 0.02 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.38 1tpa n TYR 29 Cb 0.14 -0.02 -0.03 0.00 -0.38 0.00 0.00 39.34 39.05 1tpa n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1tpa s GLN 30 N -2.15 4.48 0.23 -3.48 2.00 -0.97 -0.78 119.66 118.98 1tpa s GLN 30 Ca 0.29 1.53 0.10 0.00 -2.00 0.00 0.00 55.36 55.28 1tpa s GLN 30 Cb 0.20 -3.46 -0.04 0.00 0.80 0.00 0.00 33.01 30.50 1tpa s GLN 30 CO 0.39 -0.20 -0.11 0.14 -0.50 0.00 0.00 175.29 175.01 1tpa s VAL 31 N 1.36 3.00 -0.16 1.34 -7.23 -0.42 -4.49 120.40 113.81 1tpa s VAL 31 Ca 0.53 -1.97 -0.06 0.00 -1.81 0.00 0.00 61.98 58.67 1tpa s VAL 31 Cb -0.23 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 1tpa s VAL 31 CO 0.26 -0.27 0.07 -0.55 -0.31 0.00 0.00 175.10 174.30 1tpa s SER 32 N -3.25 5.71 -0.20 4.85 0.15 -0.62 -2.16 113.70 118.18 1tpa s SER 32 Ca 0.28 0.17 -0.13 0.00 0.70 0.00 0.00 55.95 56.96 1tpa s SER 32 Cb -0.07 -1.90 -0.05 0.00 -1.71 0.00 0.00 66.02 62.29 1tpa s SER 32 CO 0.16 0.25 0.26 -0.76 1.20 0.00 0.00 173.24 174.35 1tpa s LEU 33 N -0.09 4.17 -0.10 3.45 1.43 0.89 -0.51 118.68 127.91 1tpa s LEU 33 Ca 0.07 0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 1tpa s LEU 33 Cb -0.12 -2.29 0.01 0.00 0.03 0.00 0.00 46.19 43.82 1tpa s LEU 33 CO 0.01 0.05 -0.19 0.21 0.23 0.00 0.00 176.35 176.65 1tpa s ASN 34 N 0.82 2.70 -0.27 2.29 3.84 -0.01 -1.45 114.94 122.86 1tpa s ASN 34 Ca 0.13 -0.49 0.12 0.00 0.21 0.00 0.00 52.86 52.83 1tpa s ASN 34 Cb -0.13 -1.23 0.47 0.00 -0.55 0.00 0.00 41.25 39.80 1tpa s ASN 34 CO 0.04 0.08 1.17 -0.24 -2.79 0.00 0.00 177.10 175.37 1tpa n SER 37 N 3.87 3.72 0.00 -4.21 2.88 -1.26 -0.35 113.62 118.27 1tpa n SER 37 Ca -0.20 -3.24 0.00 0.00 -1.33 0.00 0.00 58.87 54.10 1tpa n SER 37 Cb 0.52 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1tpa n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1tpa n GLY 38 N -0.67 2.36 3.48 0.46 0.00 -1.26 -5.01 105.19 104.55 1tpa n GLY 38 Ca 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 1tpa n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1tpa s TYR 39 N -2.31 -0.23 -0.27 1.61 1.13 -1.26 -5.12 117.35 110.90 1tpa s TYR 39 Ca 0.00 -0.08 -0.29 0.00 -1.41 0.00 0.00 57.07 55.29 1tpa s TYR 39 Cb 0.00 0.43 -0.03 0.00 -1.10 0.00 0.00 41.96 41.26 1tpa s TYR 39 CO 0.00 -0.88 1.76 -1.58 -2.51 0.00 0.00 175.55 172.34 1tpa s HIS 40 N -3.84 1.86 -0.01 -3.49 5.65 -1.26 -4.29 115.29 109.90 1tpa s HIS 40 Ca 0.06 0.54 0.09 0.00 0.25 0.00 0.00 55.06 56.00 1tpa s HIS 40 Cb -0.01 -4.07 -0.13 0.00 -1.18 0.00 0.00 32.58 27.19 1tpa s HIS 40 CO -0.06 -3.13 0.18 1.97 -0.65 0.00 0.00 174.74 173.05 1tpa n PHE 41 N 9.57 0.00 -3.59 3.88 1.16 -0.53 -4.98 117.46 122.97 1tpa n PHE 41 Ca 0.22 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.70 1tpa n PHE 41 Cb 0.46 -0.20 -0.02 0.00 -1.61 0.00 0.00 39.48 38.11 1tpa n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1tpa s GLY 43 N -2.79 1.87 0.02 0.00 0.00 0.49 -0.08 107.32 106.84 1tpa s GLY 43 Ca 0.05 -1.95 -0.29 0.00 0.00 0.00 0.00 44.72 42.53 1tpa s GLY 43 CO -0.05 -1.76 1.22 -0.32 0.00 0.00 0.00 173.10 172.19 1tpa s GLY 44 N -4.60 -0.30 -0.08 0.20 0.00 -0.92 -3.87 107.32 97.76 1tpa s GLY 44 Ca 0.56 0.43 0.04 0.00 0.00 0.00 0.00 44.72 45.75 1tpa s GLY 44 CO 0.35 1.15 -0.22 -0.56 0.00 0.00 0.00 173.10 173.82 1tpa s SER 45 N -3.14 2.76 -0.48 1.64 0.01 -0.42 -1.30 113.70 112.77 1tpa s SER 45 Ca 0.17 -0.48 -0.29 0.00 1.31 0.00 0.00 55.95 56.66 1tpa s SER 45 Cb 0.03 -1.08 0.03 0.00 0.21 0.00 0.00 66.02 65.21 1tpa s SER 45 CO -0.02 0.16 1.14 -0.22 0.41 0.00 0.00 173.24 174.71 1tpa s LEU 46 N 0.23 3.64 0.06 2.44 2.96 0.04 -0.20 118.68 127.85 1tpa s LEU 46 Ca -0.13 0.46 0.20 0.00 -0.22 0.00 0.00 54.13 54.44 1tpa s LEU 46 Cb -0.16 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.84 1tpa s LEU 46 CO 0.06 -1.25 0.74 2.30 -1.32 0.00 0.00 176.35 176.88 1tpa n ILE 47 N 6.85 0.76 -3.03 6.68 -5.35 -0.67 -0.21 119.36 124.39 1tpa n ILE 47 Ca 0.12 -0.62 -0.00 0.00 -0.27 0.00 0.00 62.75 61.98 1tpa n ILE 47 Cb 0.49 -0.42 0.00 0.00 -1.74 0.00 0.00 39.64 37.97 1tpa n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1tpa n ASN 48 N -2.67 -0.05 0.30 7.28 2.04 -1.20 -4.48 115.26 116.48 1tpa n ASN 48 Ca -0.08 -1.04 0.19 0.00 -0.44 0.00 0.00 54.58 53.21 1tpa n ASN 48 Cb 0.72 0.09 0.96 0.00 -2.53 0.00 0.00 39.78 39.01 1tpa n ASN 48 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 1tpa h SER 49 N 0.05 0.00 0.00 0.53 4.64 -1.96 -3.03 113.55 113.77 1tpa h SER 49 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1tpa h SER 49 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1tpa h SER 49 CO 0.01 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 1tpa n GLN 50 N -3.27 -0.83 -5.20 4.77 6.02 -1.26 -0.17 117.38 117.44 1tpa n GLN 50 Ca -0.02 -0.47 -0.30 0.00 -0.01 0.00 0.00 57.00 56.20 1tpa n GLN 50 Cb 0.17 -0.97 -0.16 0.00 1.02 0.00 0.00 30.24 30.30 1tpa n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1tpa s TRP 51 N -0.02 2.25 0.06 1.08 0.52 -1.15 -0.56 118.94 121.12 1tpa s TRP 51 Ca 0.00 -0.56 0.09 0.00 0.02 0.00 0.00 56.10 55.65 1tpa s TRP 51 Cb 0.00 -1.46 -0.03 0.00 -1.15 0.00 0.00 33.47 30.82 1tpa s TRP 51 CO 0.00 -0.14 -0.26 0.08 0.02 0.00 0.00 176.95 176.66 1tpa s VAL 52 N -0.31 2.10 -0.07 4.03 1.01 0.50 -1.67 120.40 125.98 1tpa s VAL 52 Ca 0.02 -1.44 0.01 0.00 0.00 0.00 0.00 61.98 60.57 1tpa s VAL 52 Cb -0.12 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1tpa s VAL 52 CO 0.02 0.29 -0.07 0.54 0.00 0.00 0.00 175.10 175.87 1tpa s VAL 53 N -0.86 3.65 0.00 2.92 0.11 0.72 -1.10 120.40 125.84 1tpa s VAL 53 Ca 0.12 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.67 1tpa s VAL 53 Cb -0.10 -2.49 0.00 0.00 -1.53 0.00 0.00 36.38 32.26 1tpa s VAL 53 CO 0.03 0.59 0.00 -0.24 -3.33 0.00 0.00 175.10 172.15 1tpa n SER 54 N 2.30 0.00 -4.90 3.54 2.88 0.54 -1.30 113.62 116.68 1tpa n SER 54 Ca -0.18 -0.78 -0.32 0.00 -1.33 0.00 0.00 58.87 56.26 1tpa n SER 54 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.94 1tpa n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tpa s ALA 55 N -1.60 3.85 0.42 -1.46 0.00 -1.26 -1.28 121.76 120.43 1tpa s ALA 55 Ca 0.00 -0.62 0.23 0.00 0.00 0.00 0.00 51.96 51.58 1tpa s ALA 55 Cb 0.00 -2.05 1.29 0.00 0.00 0.00 0.00 23.12 22.36 1tpa s ALA 55 CO 0.00 0.69 2.03 0.00 0.00 0.00 0.00 175.76 178.49 1tpa h ALA 56 N 3.28 1.38 0.00 0.00 0.00 -1.72 -2.77 119.26 119.43 1tpa h ALA 56 Ca -0.47 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1tpa h ALA 56 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1tpa h ALA 56 CO 0.71 0.19 0.00 -2.39 0.00 0.00 0.00 179.25 177.76 1tpa n HIS 57 N -3.82 0.00 1.63 0.00 1.44 -1.26 -2.34 115.22 110.87 1tpa n HIS 57 Ca -0.02 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.84 1tpa n HIS 57 Cb 0.25 -0.39 0.66 0.00 0.12 0.00 0.00 29.99 30.63 1tpa n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1tpa n TYR 59 N -0.33 2.59 -4.16 0.00 4.19 -0.99 -4.98 117.16 113.49 1tpa n TYR 59 Ca 0.20 -0.26 -0.10 0.00 3.31 0.00 0.00 57.90 61.04 1tpa n TYR 59 Cb 0.27 -2.77 -0.10 0.00 0.49 0.00 0.00 39.34 37.23 1tpa n TYR 59 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 1tpa s LYS 60 N 3.50 1.02 0.45 2.98 1.02 -1.26 -5.15 119.74 122.28 1tpa s LYS 60 Ca 0.85 -1.48 -0.01 0.00 0.02 0.00 0.00 55.97 55.34 1tpa s LYS 60 Cb -0.45 0.26 -0.01 0.00 -0.52 0.00 0.00 37.83 37.10 1tpa s LYS 60 CO 0.39 -0.31 0.68 -1.54 -0.92 0.00 0.00 175.35 173.66 1tpa s SER 61 N -3.08 5.97 -1.32 2.83 1.04 -1.26 -4.37 113.70 113.52 1tpa s SER 61 Ca 0.28 0.45 -0.05 0.00 0.48 0.00 0.00 55.95 57.12 1tpa s SER 61 Cb 0.07 -1.76 0.02 0.00 0.10 0.00 0.00 66.02 64.45 1tpa s SER 61 CO 0.05 -0.63 0.99 0.61 0.98 0.00 0.00 173.24 175.24 1tpa n GLY 62 N -2.09 -0.42 3.73 7.32 0.00 -1.26 -4.96 105.19 107.50 1tpa n GLY 62 Ca 0.00 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1tpa n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tpa s ILE 63 N -3.40 4.50 -0.09 -0.61 1.01 -1.26 -4.52 121.20 116.82 1tpa s ILE 63 Ca 0.28 2.04 0.01 0.00 0.00 0.00 0.00 60.65 62.97 1tpa s ILE 63 Cb -0.13 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 1tpa s ILE 63 CO 0.76 0.29 -0.10 -1.58 0.00 0.00 0.00 174.94 174.32 1tpa s GLN 64 N 0.11 2.99 -0.13 2.79 0.74 0.53 -2.67 119.66 124.02 1tpa s GLN 64 Ca 0.48 -0.61 -0.13 0.00 0.05 0.00 0.00 55.36 55.15 1tpa s GLN 64 Cb -0.23 -2.60 -0.05 0.00 1.10 0.00 0.00 33.01 31.23 1tpa s GLN 64 CO 0.30 0.47 0.27 0.08 -0.55 0.00 0.00 175.29 175.87 1tpa s VAL 65 N -0.31 5.30 -0.20 1.34 1.01 0.17 -0.83 120.40 126.88 1tpa s VAL 65 Ca 0.04 0.51 -0.04 0.00 0.00 0.00 0.00 61.98 62.48 1tpa s VAL 65 Cb -0.13 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1tpa s VAL 65 CO 0.02 0.46 -0.02 -0.13 0.00 0.00 0.00 175.10 175.43 1tpa s ARG 66 N -0.04 3.54 0.06 2.72 0.52 0.33 -1.37 118.95 124.71 1tpa s ARG 66 Ca 0.17 -0.56 0.06 0.00 -0.52 0.00 0.00 55.73 54.87 1tpa s ARG 66 Cb -0.13 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.28 1tpa s ARG 66 CO 0.05 -0.02 -0.10 -0.51 0.02 0.00 0.00 175.30 174.74 1tpa s LEU 67 N 1.06 3.04 -0.37 2.53 1.02 0.21 -1.59 118.68 124.58 1tpa s LEU 67 Ca 0.01 -0.31 0.00 0.00 0.02 0.00 0.00 54.13 53.85 1tpa s LEU 67 Cb -0.14 -1.80 0.00 0.00 0.02 0.00 0.00 46.19 44.26 1tpa s LEU 67 CO 0.01 0.22 0.00 0.61 0.02 0.00 0.00 176.35 177.21 1tpa n GLY 69 N 1.08 0.65 3.78 -3.19 0.00 -1.26 -1.16 105.19 105.09 1tpa n GLY 69 Ca -0.14 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 1tpa n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tpa s GLU 70 N -1.94 4.14 0.00 1.61 0.41 -1.26 -4.06 118.70 117.60 1tpa s GLU 70 Ca 0.00 1.49 0.00 0.00 -0.41 0.00 0.00 54.97 56.05 1tpa s GLU 70 Cb 0.00 -2.50 0.00 0.00 -1.78 0.00 0.00 34.13 29.85 1tpa s GLU 70 CO 0.00 -0.16 0.00 -3.47 -0.49 0.00 0.00 175.26 171.14 1tpa n ASP 71 N -0.16 0.01 -4.53 -0.19 2.03 -1.26 -4.67 116.55 107.78 1tpa n ASP 71 Ca 0.05 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.94 1tpa n ASP 71 Cb 0.50 -0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.86 1tpa n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1tpa s ASN 72 N -4.74 6.31 0.00 1.67 3.84 -1.25 -3.36 114.94 117.42 1tpa s ASN 72 Ca 0.00 -0.35 0.24 0.00 0.21 0.00 0.00 52.86 52.96 1tpa s ASN 72 Cb 0.00 -2.48 1.11 0.00 -0.55 0.00 0.00 41.25 39.33 1tpa s ASN 72 CO 0.00 -1.42 1.77 2.30 -2.79 0.00 0.00 177.10 176.96 1tpa n ILE 73 N 6.30 0.31 0.72 -5.21 -5.35 -0.03 -2.58 119.36 113.52 1tpa n ILE 73 Ca 0.03 0.08 0.11 0.00 -0.27 0.00 0.00 62.75 62.70 1tpa n ILE 73 Cb 0.48 -0.68 0.01 0.00 -1.74 0.00 0.00 39.64 37.70 1tpa n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1tpa n ASN 74 N -1.37 0.66 -3.97 7.28 3.02 -1.26 -4.94 115.26 114.68 1tpa n ASN 74 Ca 0.09 -0.42 -0.12 0.00 -0.03 0.00 0.00 54.58 54.10 1tpa n ASN 74 Cb 0.22 0.85 -0.13 0.00 -0.61 0.00 0.00 39.78 40.11 1tpa n ASN 74 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1tpa s VAL 75 N -3.13 0.25 -0.37 2.41 -7.23 -1.07 -5.10 120.40 106.16 1tpa s VAL 75 Ca 0.05 -0.57 -0.29 0.00 -1.81 0.00 0.00 61.98 59.36 1tpa s VAL 75 Cb 0.15 -0.30 0.01 0.00 0.56 0.00 0.00 36.38 36.80 1tpa s VAL 75 CO 0.81 -0.21 1.30 -0.69 -0.31 0.00 0.00 175.10 176.00 1tpa s VAL 76 N -0.78 4.09 -2.59 1.32 1.01 -1.26 -4.74 120.40 117.45 1tpa s VAL 76 Ca -0.07 1.18 0.24 0.00 0.00 0.00 0.00 61.98 63.33 1tpa s VAL 76 Cb -0.06 -4.27 0.15 0.00 0.00 0.00 0.00 36.38 32.20 1tpa s VAL 76 CO -0.00 -0.67 1.25 -0.62 0.00 0.00 0.00 175.10 175.05 1tpa n GLU 77 N 7.64 1.85 -0.30 2.72 1.02 -1.26 -5.00 120.64 127.31 1tpa n GLU 77 Ca 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 57.16 55.79 1tpa n GLU 77 Cb 0.48 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 1tpa n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tpa n GLY 78 N 1.36 0.84 0.42 0.62 0.00 -1.26 -4.95 105.19 102.23 1tpa n GLY 78 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.19 1tpa n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1tpa n ASN 79 N 0.00 2.42 -4.77 1.61 4.13 -1.26 -5.03 115.26 112.36 1tpa n ASN 79 Ca 0.00 -1.84 -0.35 0.00 1.68 0.00 0.00 54.58 54.07 1tpa n ASN 79 Cb 0.00 -0.13 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 1tpa n ASN 79 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1tpa s GLU 80 N -0.92 3.35 -0.12 3.52 8.01 -1.26 -4.36 118.70 126.92 1tpa s GLU 80 Ca 0.15 1.65 0.01 0.00 0.01 0.00 0.00 54.97 56.78 1tpa s GLU 80 Cb 0.08 -2.03 0.02 0.00 -4.31 0.00 0.00 34.13 27.89 1tpa s GLU 80 CO 0.11 -0.86 -0.12 -0.65 0.01 0.00 0.00 175.26 173.75 1tpa s GLN 81 N -3.24 1.96 -0.27 1.61 -0.21 -0.31 -4.98 119.66 114.23 1tpa s GLN 81 Ca 0.73 -0.44 -0.08 0.00 0.02 0.00 0.00 55.36 55.59 1tpa s GLN 81 Cb -0.25 -1.80 -0.02 0.00 1.00 0.00 0.00 33.01 31.94 1tpa s GLN 81 CO 0.28 -0.17 0.08 -0.06 -2.12 0.00 0.00 175.29 173.30 1tpa s PHE 82 N 1.34 3.11 -0.05 0.91 2.99 -1.26 -0.62 117.98 124.40 1tpa s PHE 82 Ca -0.00 -0.57 0.02 0.00 0.00 0.00 0.00 56.93 56.38 1tpa s PHE 82 Cb -0.14 -2.26 0.01 0.00 0.00 0.00 0.00 43.02 40.63 1tpa s PHE 82 CO -0.06 -0.42 -0.11 0.42 -0.00 0.00 0.00 175.22 175.05 1tpa s ILE 83 N 1.59 0.96 0.54 0.64 1.01 -0.47 -4.99 121.20 120.49 1tpa s ILE 83 Ca 0.05 -0.42 -0.19 0.00 0.00 0.00 0.00 60.65 60.10 1tpa s ILE 83 Cb -0.16 -0.87 -0.06 0.00 0.01 0.00 0.00 42.46 41.38 1tpa s ILE 83 CO 0.04 0.31 1.08 -0.44 0.00 0.00 0.00 174.94 175.92 1tpa s SER 84 N 0.46 5.88 0.18 3.58 0.01 -1.26 0.41 113.70 122.96 1tpa s SER 84 Ca -0.09 2.01 -0.30 0.00 1.31 0.00 0.00 55.95 58.88 1tpa s SER 84 Cb -0.13 -2.56 -0.08 0.00 0.21 0.00 0.00 66.02 63.47 1tpa s SER 84 CO 0.02 -1.10 0.99 0.00 0.41 0.00 0.00 173.24 173.56 1tpa s ALA 85 N -2.03 3.32 -0.05 1.44 0.00 -1.09 0.10 121.76 123.45 1tpa s ALA 85 Ca 0.69 0.66 -0.16 0.00 0.00 0.00 0.00 51.96 53.15 1tpa s ALA 85 Cb -0.19 -3.27 -0.31 0.00 0.00 0.00 0.00 23.12 19.35 1tpa s ALA 85 CO 0.28 0.02 0.75 0.66 0.00 0.00 0.00 175.76 177.47 1tpa h SER 86 N 4.81 0.58 -4.41 0.00 4.64 -1.15 -3.43 113.55 114.59 1tpa h SER 86 Ca -0.44 -0.91 -0.25 0.00 -0.47 0.00 0.00 61.79 59.71 1tpa h SER 86 Cb 1.21 -0.19 -0.24 0.00 -0.31 0.00 0.00 62.40 62.87 1tpa h SER 86 CO 0.70 1.65 -0.73 -0.54 -0.87 0.00 0.00 176.83 177.04 1tpa s LYS 87 N -2.53 0.35 -0.12 4.77 1.02 -1.21 -5.00 119.74 117.02 1tpa s LYS 87 Ca -0.15 -0.44 -0.01 0.00 0.02 0.00 0.00 55.97 55.39 1tpa s LYS 87 Cb 0.04 -0.17 0.03 0.00 -0.52 0.00 0.00 37.83 37.21 1tpa s LYS 87 CO 0.85 0.03 -0.03 -1.12 -0.92 0.00 0.00 175.35 174.16 1tpa s SER 88 N -0.89 2.15 -0.34 2.83 0.01 -1.26 -0.68 113.70 115.53 1tpa s SER 88 Ca -0.07 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.87 1tpa s SER 88 Cb -0.06 -0.69 0.09 0.00 0.21 0.00 0.00 66.02 65.57 1tpa s SER 88 CO -0.00 -0.18 0.05 -0.63 0.41 0.00 0.00 173.24 172.89 1tpa s ILE 89 N 1.81 2.61 0.22 1.44 1.01 0.24 -4.97 121.20 123.55 1tpa s ILE 89 Ca 0.04 -2.00 -0.23 0.00 0.00 0.00 0.00 60.65 58.45 1tpa s ILE 89 Cb -0.13 -2.75 -0.08 0.00 0.01 0.00 0.00 42.46 39.50 1tpa s ILE 89 CO -0.07 -0.44 0.80 -0.69 0.00 0.00 0.00 174.94 174.54 1tpa s VAL 90 N 1.05 4.40 0.17 2.92 1.01 -1.26 -0.47 120.40 128.22 1tpa s VAL 90 Ca 0.04 1.58 -0.34 0.00 0.00 0.00 0.00 61.98 63.27 1tpa s VAL 90 Cb -0.20 -4.01 -0.14 0.00 0.00 0.00 0.00 36.38 32.03 1tpa s VAL 90 CO -0.05 0.33 1.54 1.57 0.00 0.00 0.00 175.10 178.48 1tpa n HIS 91 N 1.05 2.22 0.17 5.22 -0.00 -0.04 -4.80 115.22 119.03 1tpa n HIS 91 Ca -0.03 0.31 0.10 0.00 0.46 0.00 0.00 57.72 58.56 1tpa n HIS 91 Cb 0.50 -2.52 0.52 0.00 -0.12 0.00 0.00 29.99 28.37 1tpa n HIS 91 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1tpa n PRO 92 N 3.20 0.13 -0.27 1.57 -0.04 -1.26 -0.86 135.00 137.47 1tpa n PRO 92 Ca 0.16 0.62 0.07 0.00 -0.04 0.00 0.00 63.50 64.31 1tpa n PRO 92 Cb 0.28 -2.02 0.18 0.00 -0.04 0.00 0.00 33.50 31.91 1tpa n PRO 92 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1tpa n SER 93 N -2.21 3.21 -4.68 3.54 7.64 -1.26 -5.00 113.62 114.87 1tpa n SER 93 Ca -0.01 -2.47 -0.46 0.00 1.01 0.00 0.00 58.87 56.94 1tpa n SER 93 Cb 0.13 -0.35 -0.04 0.00 -1.01 0.00 0.00 64.21 62.94 1tpa n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tpa n TYR 94 N -0.08 2.34 -3.85 1.43 4.19 -0.04 -4.70 117.16 116.44 1tpa n TYR 94 Ca 0.15 0.15 -0.36 0.00 3.31 0.00 0.00 57.90 61.15 1tpa n TYR 94 Cb 0.61 -2.60 -0.13 0.00 0.49 0.00 0.00 39.34 37.71 1tpa n TYR 94 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1tpa s ASN 95 N 1.94 4.75 0.00 2.98 3.84 -0.78 -4.98 114.94 122.68 1tpa s ASN 95 Ca 0.83 -0.78 0.30 0.00 0.21 0.00 0.00 52.86 53.41 1tpa s ASN 95 Cb -0.66 -1.78 1.38 0.00 -0.55 0.00 0.00 41.25 39.64 1tpa s ASN 95 CO 0.41 -0.16 1.96 -1.54 -2.79 0.00 0.00 177.10 174.98 1tpa n SER 96 N 4.77 0.24 -0.10 -4.21 3.41 -1.26 0.18 113.62 116.65 1tpa n SER 96 Ca -0.15 -0.38 -0.19 0.00 -0.26 0.00 0.00 58.87 57.88 1tpa n SER 96 Cb 0.47 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.16 1tpa n SER 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1tpa h ASN 97 N 0.27 0.00 0.85 4.04 2.35 -1.97 -3.40 115.58 117.72 1tpa h ASN 97 Ca 0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1tpa h ASN 97 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1tpa h ASN 97 CO 0.00 1.37 -0.61 0.35 -1.65 0.00 0.00 177.43 176.89 1tpa n THR 98 N -4.47 0.34 -1.02 2.81 -2.24 -1.18 -4.95 114.28 103.58 1tpa n THR 98 Ca -0.28 -0.26 -0.01 0.00 -2.27 0.00 0.00 64.05 61.23 1tpa n THR 98 Cb 0.62 -0.12 -0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1tpa n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1tpa n LEU 99 N -2.09 0.15 -4.76 3.22 4.77 0.13 -4.98 117.00 113.44 1tpa n LEU 99 Ca 0.03 0.01 -0.39 0.00 -0.03 0.00 0.00 56.01 55.63 1tpa n LEU 99 Cb 0.43 -0.95 -0.04 0.00 -2.33 0.00 0.00 43.42 40.53 1tpa n LEU 99 CO 0.36 -0.22 0.76 0.21 -1.33 0.00 0.00 177.39 177.17 1tpa s ASN 100 N -2.12 7.21 -0.98 -1.43 3.04 -1.22 -3.42 114.94 116.03 1tpa s ASN 100 Ca 0.00 2.19 -0.05 0.00 0.04 0.00 0.00 52.86 55.04 1tpa s ASN 100 Cb 0.00 -2.62 0.01 0.00 -1.54 0.00 0.00 41.25 37.10 1tpa s ASN 100 CO 0.00 -0.18 0.84 0.59 -3.04 0.00 0.00 177.10 175.31 1tpa n ASN 101 N 0.96 -4.28 -3.62 -4.21 3.02 -1.26 -1.86 115.26 104.01 1tpa n ASN 101 Ca 0.00 -0.42 -0.41 0.00 -0.03 0.00 0.00 54.58 53.72 1tpa n ASN 101 Cb 0.46 -3.90 -0.03 0.00 -0.61 0.00 0.00 39.78 35.69 1tpa n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1tpa n ASP 102 N -2.09 3.36 -3.81 6.41 -0.08 -1.22 -4.26 116.55 114.86 1tpa n ASP 102 Ca -0.06 -2.71 -0.12 0.00 -1.51 0.00 0.00 54.79 50.39 1tpa n ASP 102 Cb 0.57 -1.31 -0.13 0.00 2.34 0.00 0.00 41.12 42.59 1tpa n ASP 102 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1tpa s ILE 103 N 4.17 -0.00 -0.06 5.18 2.07 -1.26 -3.93 121.20 127.37 1tpa s ILE 103 Ca 0.53 0.02 -0.15 0.00 -1.41 0.00 0.00 60.65 59.64 1tpa s ILE 103 Cb 0.14 -0.22 0.03 0.00 0.13 0.00 0.00 42.46 42.54 1tpa s ILE 103 CO 0.03 0.01 0.34 -0.32 -1.91 0.00 0.00 174.94 173.09 1tpa s MET 104 N 0.18 0.60 -0.04 3.50 -2.45 -0.40 -0.87 119.30 119.83 1tpa s MET 104 Ca -0.01 0.06 0.05 0.00 -1.25 0.00 0.00 55.69 54.54 1tpa s MET 104 Cb -0.02 0.28 -0.02 0.00 1.25 0.00 0.00 34.83 36.31 1tpa s MET 104 CO -0.00 -0.15 -0.19 -0.51 1.05 0.00 0.00 175.02 175.22 1tpa s LEU 105 N -0.82 2.46 -0.13 4.11 1.43 0.38 -0.34 118.68 125.77 1tpa s LEU 105 Ca -0.09 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1tpa s LEU 105 Cb -0.04 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 44.73 1tpa s LEU 105 CO 0.03 0.33 -0.15 -0.63 0.23 0.00 0.00 176.35 176.17 1tpa s ILE 106 N -0.67 1.57 -0.11 -0.59 1.01 -0.26 0.79 121.20 122.95 1tpa s ILE 106 Ca 0.10 -0.65 -0.16 0.00 0.00 0.00 0.00 60.65 59.94 1tpa s ILE 106 Cb -0.10 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.87 1tpa s ILE 106 CO -0.00 0.46 0.42 -0.75 0.00 0.00 0.00 174.94 175.06 1tpa s LYS 107 N 1.27 4.25 0.33 2.79 2.20 0.14 -0.37 119.74 130.36 1tpa s LYS 107 Ca 0.00 0.35 -0.26 0.00 -0.36 0.00 0.00 55.97 55.70 1tpa s LYS 107 Cb -0.14 -3.40 -0.09 0.00 -1.51 0.00 0.00 37.83 32.69 1tpa s LYS 107 CO -0.07 0.26 1.02 -0.51 -0.36 0.00 0.00 175.35 175.69 1tpa s LEU 108 N 0.32 4.34 0.25 5.43 1.43 0.28 -0.73 118.68 130.00 1tpa s LEU 108 Ca 0.23 2.02 -0.03 0.00 -1.03 0.00 0.00 54.13 55.32 1tpa s LEU 108 Cb -0.15 -3.95 0.41 0.00 0.03 0.00 0.00 46.19 42.54 1tpa s LEU 108 CO 0.09 -0.22 1.84 0.11 0.23 0.00 0.00 176.35 178.40 1tpa h LYS 109 N 3.16 0.91 -4.59 1.70 1.57 0.38 -3.40 116.57 116.30 1tpa h LYS 109 Ca -0.47 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.02 1tpa h LYS 109 Cb 1.21 -0.20 -0.15 0.00 0.08 0.00 0.00 32.23 33.16 1tpa h LYS 109 CO 0.65 0.60 -0.65 -1.54 -0.57 0.00 0.00 179.45 177.93 1tpa s SER 110 N -5.71 0.69 0.15 0.86 1.04 -1.26 -4.93 113.70 104.55 1tpa s SER 110 Ca -0.12 -1.21 -0.30 0.00 0.48 0.00 0.00 55.95 54.80 1tpa s SER 110 Cb 0.20 0.22 -0.07 0.00 0.10 0.00 0.00 66.02 66.47 1tpa s SER 110 CO 0.79 -0.67 1.17 0.00 0.98 0.00 0.00 173.24 175.51 1tpa s ALA 111 N -3.89 3.41 0.90 5.32 0.00 -1.26 -4.83 121.76 121.41 1tpa s ALA 111 Ca 0.25 0.88 -0.11 0.00 0.00 0.00 0.00 51.96 52.99 1tpa s ALA 111 Cb 0.07 -3.40 0.13 0.00 0.00 0.00 0.00 23.12 19.92 1tpa s ALA 111 CO 0.03 -0.34 1.10 0.00 0.00 0.00 0.00 175.76 176.56 1tpa s ALA 112 N 0.16 1.50 -0.14 0.00 0.00 0.76 -4.98 121.76 119.05 1tpa s ALA 112 Ca 0.53 0.25 -0.17 0.00 0.00 0.00 0.00 51.96 52.58 1tpa s ALA 112 Cb -0.31 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 1tpa s ALA 112 CO 0.34 -2.49 0.42 -1.54 0.00 0.00 0.00 175.76 172.49 1tpa s SER 113 N -3.05 6.58 -0.21 0.00 1.04 -1.26 -4.86 113.70 111.94 1tpa s SER 113 Ca 0.64 0.69 -0.22 0.00 0.48 0.00 0.00 55.95 57.54 1tpa s SER 113 Cb -0.20 -2.25 -0.02 0.00 0.10 0.00 0.00 66.02 63.65 1tpa s SER 113 CO 0.58 0.01 0.68 -0.76 0.98 0.00 0.00 173.24 174.73 1tpa s LEU 114 N 0.71 4.12 0.00 2.42 1.02 -1.26 -4.81 118.68 120.88 1tpa s LEU 114 Ca 0.22 0.88 0.00 0.00 0.02 0.00 0.00 54.13 55.25 1tpa s LEU 114 Cb -0.14 -2.97 0.00 0.00 0.02 0.00 0.00 46.19 43.10 1tpa s LEU 114 CO 0.08 -0.34 0.00 -0.46 0.02 0.00 0.00 176.35 175.65 1tpa n ASN 115 N 5.32 0.29 0.07 2.29 0.23 -0.01 -5.02 115.26 118.43 1tpa n ASN 115 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.17 1tpa n ASN 115 Cb 0.49 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.23 1tpa n ASN 115 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1tpa n SER 116 N 0.00 0.72 -0.09 0.53 3.41 -1.26 -3.58 113.62 113.35 1tpa n SER 116 Ca 0.00 0.15 0.12 0.00 -0.26 0.00 0.00 58.87 58.88 1tpa n SER 116 Cb 0.00 0.52 0.23 0.00 -0.26 0.00 0.00 64.21 64.70 1tpa n SER 116 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1tpa n ARG 117 N -2.37 0.29 -3.37 4.33 5.12 -1.26 -4.84 116.66 114.56 1tpa n ARG 117 Ca 0.01 -0.18 -0.11 0.00 -1.93 0.00 0.00 57.85 55.64 1tpa n ARG 117 Cb 0.50 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 30.22 1tpa n ARG 117 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1tpa s VAL 118 N -2.84 -0.55 -0.02 1.55 1.01 -1.23 -4.26 120.40 114.06 1tpa s VAL 118 Ca 0.15 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 1tpa s VAL 118 Cb 0.18 -0.80 0.03 0.00 0.00 0.00 0.00 36.38 35.79 1tpa s VAL 118 CO 0.67 -0.15 0.34 0.00 0.00 0.00 0.00 175.10 175.96 1tpa s ALA 119 N 2.51 -0.87 0.61 5.51 0.00 -1.02 -0.83 121.76 127.66 1tpa s ALA 119 Ca 0.12 0.42 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 1tpa s ALA 119 Cb -0.15 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.09 1tpa s ALA 119 CO -0.16 -0.27 0.86 -1.54 0.00 0.00 0.00 175.76 174.65 1tpa s SER 120 N -1.31 5.05 -0.00 0.00 1.04 -1.26 -2.88 113.70 114.34 1tpa s SER 120 Ca -0.13 0.06 0.08 0.00 0.48 0.00 0.00 55.95 56.43 1tpa s SER 120 Cb -0.05 -0.82 -0.02 0.00 0.10 0.00 0.00 66.02 65.22 1tpa s SER 120 CO 0.05 -1.34 -0.24 -0.51 0.98 0.00 0.00 173.24 172.18 1tpa s ILE 121 N -2.92 2.26 0.19 -1.02 1.10 0.71 -4.84 121.20 116.67 1tpa s ILE 121 Ca 0.59 -1.13 -0.30 0.00 -0.51 0.00 0.00 60.65 59.30 1tpa s ILE 121 Cb -0.10 -1.83 -0.08 0.00 0.15 0.00 0.00 42.46 40.60 1tpa s ILE 121 CO 0.41 0.51 1.14 -0.44 -2.11 0.00 0.00 174.94 174.45 1tpa s SER 122 N -0.84 7.19 0.54 4.50 0.01 -1.26 -4.57 113.70 119.27 1tpa s SER 122 Ca 0.11 2.16 -0.21 0.00 1.31 0.00 0.00 55.95 59.33 1tpa s SER 122 Cb -0.10 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 1tpa s SER 122 CO 0.00 -0.28 1.22 -0.76 0.41 0.00 0.00 173.24 173.83 1tpa s LEU 123 N -0.41 3.82 0.71 2.44 1.43 -1.26 -0.96 118.68 124.46 1tpa s LEU 123 Ca 0.50 2.41 -0.12 0.00 -1.03 0.00 0.00 54.13 55.89 1tpa s LEU 123 Cb -0.31 -4.42 0.02 0.00 0.03 0.00 0.00 46.19 41.51 1tpa s LEU 123 CO 0.36 -1.34 1.09 -2.16 0.23 0.00 0.00 176.35 174.53 1tpa s PRO 124 N -3.04 2.65 -0.15 1.29 0.04 -1.26 -4.73 135.00 129.79 1tpa s PRO 124 Ca 0.71 1.18 0.16 0.00 0.04 0.00 0.00 61.00 63.09 1tpa s PRO 124 Cb -0.31 -1.94 -0.24 0.00 0.04 0.00 0.00 34.50 32.04 1tpa s PRO 124 CO 0.36 -1.34 0.27 0.25 0.04 0.00 0.00 177.00 176.58 1tpa n THR 125 N -3.01 1.47 -4.25 1.26 -2.24 -1.26 -4.92 114.28 101.32 1tpa n THR 125 Ca 0.09 -0.84 -0.14 0.00 -2.27 0.00 0.00 64.05 60.89 1tpa n THR 125 Cb 0.53 -0.67 -0.10 0.00 -2.10 0.00 0.00 70.33 67.99 1tpa n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1tpa s SER 127 N -5.71 0.69 0.23 3.42 1.04 -1.26 -5.11 113.70 107.01 1tpa s SER 127 Ca -0.08 -1.44 -0.30 0.00 0.48 0.00 0.00 55.95 54.61 1tpa s SER 127 Cb 0.07 0.34 -0.09 0.00 0.10 0.00 0.00 66.02 66.44 1tpa s SER 127 CO 0.83 -0.84 1.23 0.00 0.98 0.00 0.00 173.24 175.44 1tpa s ALA 129 N -0.38 2.98 0.34 0.00 0.00 -1.26 -5.05 121.76 118.39 1tpa s ALA 129 Ca 0.52 1.01 -0.04 0.00 0.00 0.00 0.00 51.96 53.45 1tpa s ALA 129 Cb -0.35 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.31 1tpa s ALA 129 CO 0.41 -0.76 0.60 -1.54 0.00 0.00 0.00 175.76 174.47 1tpa s SER 130 N -1.25 6.39 0.12 0.00 1.04 -1.26 -5.02 113.70 113.72 1tpa s SER 130 Ca 0.64 0.72 -0.35 0.00 0.48 0.00 0.00 55.95 57.44 1tpa s SER 130 Cb -0.31 -2.15 -0.16 0.00 0.10 0.00 0.00 66.02 63.50 1tpa s SER 130 CO 0.38 -0.29 1.28 0.00 0.98 0.00 0.00 173.24 175.58 1tpa n ALA 132 N -1.34 -0.90 -1.11 5.32 0.00 -1.26 -1.38 120.51 119.83 1tpa n ALA 132 Ca -0.02 0.50 -0.04 0.00 0.00 0.00 0.00 53.44 53.88 1tpa n ALA 132 Cb 0.55 -2.06 -0.02 0.00 0.00 0.00 0.00 19.45 17.92 1tpa n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tpa n GLY 133 N 2.34 0.63 3.76 0.00 0.00 0.85 -4.96 105.19 107.82 1tpa n GLY 133 Ca 0.17 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1tpa n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tpa s THR 134 N -1.90 2.57 -0.16 2.61 2.01 -0.48 -4.69 115.64 115.60 1tpa s THR 134 Ca 0.00 0.52 -0.13 0.00 0.31 0.00 0.00 61.69 62.39 1tpa s THR 134 Cb 0.00 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.13 1tpa s THR 134 CO 0.00 0.10 0.28 -1.58 -0.69 0.00 0.00 174.62 172.73 1tpa s GLN 135 N -1.12 4.22 0.32 4.92 0.74 -1.26 -0.37 119.66 127.11 1tpa s GLN 135 Ca 0.55 0.07 0.10 0.00 0.05 0.00 0.00 55.36 56.13 1tpa s GLN 135 Cb -0.42 -3.42 -0.05 0.00 1.10 0.00 0.00 33.01 30.22 1tpa s GLN 135 CO 0.50 0.27 -0.06 0.00 -0.55 0.00 0.00 175.29 175.45 1tpa s LEU 137 N -3.64 3.62 -0.21 0.00 2.96 -0.62 -1.14 118.68 119.65 1tpa s LEU 137 Ca 0.33 -0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 53.81 1tpa s LEU 137 Cb -0.02 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 1tpa s LEU 137 CO 0.18 -0.09 0.09 -0.63 -1.32 0.00 0.00 176.35 174.59 1tpa s ILE 138 N 1.60 4.94 0.13 6.68 1.01 -0.19 -1.25 121.20 134.12 1tpa s ILE 138 Ca 0.05 0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.78 1tpa s ILE 138 Cb -0.16 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 1tpa s ILE 138 CO 0.04 0.42 -0.12 -0.94 0.00 0.00 0.00 174.94 174.33 1tpa s SER 139 N 0.69 1.89 0.00 3.58 1.04 -1.22 -1.25 113.70 118.42 1tpa s SER 139 Ca 0.05 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.60 1tpa s SER 139 Cb -0.13 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1tpa s SER 139 CO 0.02 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1tpa n GLY 140 N 0.27 0.46 1.46 7.32 0.00 -0.13 -4.52 105.19 110.06 1tpa n GLY 140 Ca -0.14 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 1tpa n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1tpa n TRP 141 N -0.35 1.66 -2.29 1.61 8.01 -1.26 -2.06 117.44 122.76 1tpa n TRP 141 Ca 0.00 -1.58 -0.25 0.00 -1.31 0.00 0.00 57.50 54.35 1tpa n TRP 141 Cb 0.00 -0.61 0.15 0.00 -2.01 0.00 0.00 31.31 28.85 1tpa n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1tpa n GLY 142 N -1.02 -0.30 3.67 6.99 0.00 -1.26 -4.40 105.19 108.87 1tpa n GLY 142 Ca 0.40 -1.89 -0.45 0.00 0.00 0.00 0.00 46.02 44.08 1tpa n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1tpa n ASN 143 N -3.32 2.93 -1.17 1.61 2.85 0.61 -3.04 115.26 115.72 1tpa n ASN 143 Ca 0.16 1.12 0.12 0.00 -0.11 0.00 0.00 54.58 55.87 1tpa n ASN 143 Cb 0.57 -1.44 0.23 0.00 1.24 0.00 0.00 39.78 40.38 1tpa n ASN 143 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1tpa n THR 144 N 2.41 0.59 -4.61 -0.44 -2.24 0.06 -1.42 114.28 108.62 1tpa n THR 144 Ca 0.13 -0.79 -0.34 0.00 -2.27 0.00 0.00 64.05 60.78 1tpa n THR 144 Cb 0.31 0.91 -0.11 0.00 -2.10 0.00 0.00 70.33 69.34 1tpa n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1tpa s LYS 145 N -1.39 2.72 0.07 -0.78 -0.14 -1.26 -4.45 119.74 114.50 1tpa s LYS 145 Ca 0.40 -0.57 -0.14 0.00 -1.36 0.00 0.00 55.97 54.30 1tpa s LYS 145 Cb 0.23 -2.58 -0.26 0.00 -1.68 0.00 0.00 37.83 33.54 1tpa s LYS 145 CO 0.32 0.66 1.15 0.77 -0.76 0.00 0.00 175.35 177.48 1tpa h SER 146 N 5.16 0.89 -3.04 2.83 0.02 -1.92 -3.40 113.55 114.10 1tpa h SER 146 Ca -0.49 -0.76 -0.30 0.00 -0.84 0.00 0.00 61.79 59.40 1tpa h SER 146 Cb 1.17 -0.27 -0.36 0.00 0.14 0.00 0.00 62.40 63.08 1tpa h SER 146 CO 0.52 1.56 -0.64 -0.44 -1.14 0.00 0.00 176.83 176.70 1tpa s SER 147 N -7.35 0.87 0.00 3.07 0.01 -1.26 -4.59 113.70 104.45 1tpa s SER 147 Ca -0.09 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.41 1tpa s SER 147 Cb 0.06 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.56 1tpa s SER 147 CO 0.93 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.93 1tpa n GLY 148 N 5.32 -0.44 2.80 3.44 0.00 -1.26 -5.07 105.19 109.97 1tpa n GLY 148 Ca -0.05 -2.27 -0.17 0.00 0.00 0.00 0.00 46.02 43.53 1tpa n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tpa s THR 149 N -0.80 -0.18 -0.30 2.61 2.01 -1.26 -4.62 115.64 113.10 1tpa s THR 149 Ca 0.00 0.35 -0.01 0.00 0.31 0.00 0.00 61.69 62.33 1tpa s THR 149 Cb 0.00 -0.23 0.19 0.00 0.01 0.00 0.00 72.50 72.47 1tpa s THR 149 CO 0.00 0.14 0.78 -0.55 -0.69 0.00 0.00 174.62 174.31 1tpa s SER 150 N 2.05 -1.12 -0.15 3.53 0.15 -1.26 -4.94 113.70 111.95 1tpa s SER 150 Ca 0.01 0.11 -0.19 0.00 0.70 0.00 0.00 55.95 56.57 1tpa s SER 150 Cb -0.12 1.70 -0.03 0.00 -1.71 0.00 0.00 66.02 65.85 1tpa s SER 150 CO -0.05 -0.20 0.55 -0.31 1.20 0.00 0.00 173.24 174.43 1tpa s TYR 151 N 2.85 3.45 0.80 3.44 2.02 -1.26 -0.76 117.35 127.89 1tpa s TYR 151 Ca 0.17 0.91 -0.10 0.00 -0.37 0.00 0.00 57.07 57.68 1tpa s TYR 151 Cb -0.06 -2.67 0.10 0.00 -0.40 0.00 0.00 41.96 38.92 1tpa s TYR 151 CO -0.24 0.00 1.14 -1.25 -1.57 0.00 0.00 175.55 173.64 1tpa s PRO 152 N 1.22 1.80 -0.14 -1.71 0.04 -1.26 -4.99 135.00 129.97 1tpa s PRO 152 Ca 0.27 -0.14 -0.13 0.00 0.04 0.00 0.00 61.00 61.04 1tpa s PRO 152 Cb -0.16 -2.02 -0.25 0.00 0.04 0.00 0.00 34.50 32.12 1tpa s PRO 152 CO 0.11 -1.62 0.39 -0.44 0.04 0.00 0.00 177.00 175.49 1tpa h ASP 153 N -0.99 0.30 -2.92 6.66 3.32 -1.94 -3.47 116.42 117.38 1tpa h ASP 153 Ca -0.45 -0.81 -0.47 0.00 0.02 0.00 0.00 57.03 55.32 1tpa h ASP 153 Cb 1.31 -0.10 0.02 0.00 0.22 0.00 0.00 39.33 40.78 1tpa h ASP 153 CO 0.58 1.69 -0.12 0.68 -1.72 0.00 0.00 179.24 180.36 1tpa s VAL 154 N -2.48 4.78 0.13 -1.35 -7.23 -1.26 -0.85 120.40 112.14 1tpa s VAL 154 Ca -0.23 -0.36 -0.30 0.00 -1.81 0.00 0.00 61.98 59.28 1tpa s VAL 154 Cb 0.06 -3.76 -0.06 0.00 0.56 0.00 0.00 36.38 33.17 1tpa s VAL 154 CO 0.72 -0.55 1.06 -0.22 -0.31 0.00 0.00 175.10 175.80 1tpa s LEU 155 N -4.45 4.47 0.04 1.32 2.96 -1.21 -4.80 118.68 117.00 1tpa s LEU 155 Ca 0.43 1.95 0.04 0.00 -0.22 0.00 0.00 54.13 56.33 1tpa s LEU 155 Cb -0.10 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1tpa s LEU 155 CO 0.38 -0.20 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.63 1tpa s LYS 156 N 0.03 2.54 0.08 1.98 1.02 -0.87 -1.47 119.74 123.04 1tpa s LYS 156 Ca 0.50 -0.77 0.05 0.00 0.02 0.00 0.00 55.97 55.77 1tpa s LYS 156 Cb -0.27 -2.52 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 1tpa s LYS 156 CO 0.32 0.58 -0.14 0.00 -0.92 0.00 0.00 175.35 175.18 1tpa s LEU 158 N -1.80 -0.14 -0.22 0.00 2.96 -0.38 -0.92 118.68 118.18 1tpa s LEU 158 Ca -0.01 0.88 -0.16 0.00 -0.22 0.00 0.00 54.13 54.61 1tpa s LEU 158 Cb -0.10 1.30 -0.04 0.00 0.50 0.00 0.00 46.19 47.86 1tpa s LEU 158 CO 0.02 -0.20 0.43 -0.54 -1.32 0.00 0.00 176.35 174.75 1tpa s LYS 159 N 1.57 4.13 -0.07 1.98 1.02 -1.25 -1.02 119.74 126.08 1tpa s LYS 159 Ca -0.08 0.22 -0.06 0.00 0.02 0.00 0.00 55.97 56.07 1tpa s LYS 159 Cb -0.09 -3.58 0.02 0.00 -0.52 0.00 0.00 37.83 33.66 1tpa s LYS 159 CO -0.12 -0.16 0.18 0.00 -0.92 0.00 0.00 175.35 174.33 1tpa s ALA 160 N 1.68 -0.43 0.41 5.17 0.00 -0.29 -4.95 121.76 123.35 1tpa s ALA 160 Ca 0.19 0.58 -0.14 0.00 0.00 0.00 0.00 51.96 52.60 1tpa s ALA 160 Cb -0.15 -0.35 -0.08 0.00 0.00 0.00 0.00 23.12 22.54 1tpa s ALA 160 CO 0.09 -0.11 0.81 -1.25 0.00 0.00 0.00 175.76 175.30 1tpa s PRO 161 N 0.38 3.90 0.22 0.00 0.04 -1.26 -0.40 135.00 137.87 1tpa s PRO 161 Ca -0.02 0.66 -0.30 0.00 0.04 0.00 0.00 61.00 61.37 1tpa s PRO 161 Cb -0.04 -2.34 -0.09 0.00 0.04 0.00 0.00 34.50 32.07 1tpa s PRO 161 CO -0.02 -0.03 1.35 0.42 0.04 0.00 0.00 177.00 178.77 1tpa s ILE 162 N -2.30 3.02 0.32 0.56 1.01 0.50 -2.26 121.20 122.04 1tpa s ILE 162 Ca 0.54 0.84 -0.01 0.00 0.00 0.00 0.00 60.65 62.03 1tpa s ILE 162 Cb -0.10 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1tpa s ILE 162 CO 0.26 0.13 0.53 -0.76 0.00 0.00 0.00 174.94 175.10 1tpa s LEU 163 N -0.20 4.05 0.43 2.97 1.43 0.52 -0.10 118.68 127.78 1tpa s LEU 163 Ca 0.58 0.49 -0.25 0.00 -1.03 0.00 0.00 54.13 53.91 1tpa s LEU 163 Cb -0.38 -3.33 -0.08 0.00 0.03 0.00 0.00 46.19 42.43 1tpa s LEU 163 CO 0.40 -0.24 1.23 -0.94 0.23 0.00 0.00 176.35 177.02 1tpa s SER 164 N -3.77 6.28 0.41 2.29 1.04 -1.26 -4.50 113.70 114.18 1tpa s SER 164 Ca 0.40 2.47 0.16 0.00 0.48 0.00 0.00 55.95 59.47 1tpa s SER 164 Cb -0.10 -2.62 1.05 0.00 0.10 0.00 0.00 66.02 64.45 1tpa s SER 164 CO 0.34 -0.86 1.85 -0.78 0.98 0.00 0.00 173.24 174.77 1tpa h ASP 165 N 2.43 0.45 -0.00 7.02 -0.00 -1.97 0.24 116.42 124.59 1tpa h ASP 165 Ca -0.49 0.05 -0.23 0.00 -0.00 0.00 0.00 57.03 56.36 1tpa h ASP 165 Cb 1.25 -0.03 0.01 0.00 -0.00 0.00 0.00 39.33 40.55 1tpa h ASP 165 CO 0.62 0.18 -0.86 0.28 -0.00 0.00 0.00 179.24 179.45 1tpa h SER 166 N 0.45 0.83 1.44 2.28 0.02 -1.99 0.37 113.55 116.95 1tpa h SER 166 Ca 0.48 -0.59 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 1tpa h SER 166 Cb 1.15 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1tpa h SER 166 CO -0.20 1.38 -0.35 0.77 -1.14 0.00 0.00 176.83 177.29 1tpa h SER 167 N 0.44 0.00 -0.38 3.07 4.64 -1.71 -1.92 113.55 117.69 1tpa h SER 167 Ca -0.07 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 1tpa h SER 167 Cb 1.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.56 1tpa h SER 167 CO 0.17 0.35 0.05 0.00 -0.87 0.00 0.00 176.83 176.53 1tpa h LYS 169 N 0.47 0.00 0.03 0.00 1.57 -0.56 -2.00 116.57 116.08 1tpa h LYS 169 Ca 0.11 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.65 1tpa h LYS 169 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1tpa h LYS 169 CO 0.01 0.00 -1.21 0.77 -0.57 0.00 0.00 179.45 178.45 1tpa h SER 170 N 0.00 0.10 -0.95 0.86 0.02 -1.15 -2.87 113.55 109.56 1tpa h SER 170 Ca 0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1tpa h SER 170 Cb 0.56 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.03 1tpa h SER 170 CO 0.00 1.10 0.57 0.00 -1.14 0.00 0.00 176.83 177.35 1tpa h ALA 171 N 0.89 1.22 -2.66 3.77 0.00 -0.98 -3.37 119.26 118.12 1tpa h ALA 171 Ca -0.10 -0.11 -0.60 0.00 0.00 0.00 0.00 54.91 54.11 1tpa h ALA 171 Cb 1.86 -0.38 -0.39 0.00 0.00 0.00 0.00 17.79 18.88 1tpa h ALA 171 CO 0.13 0.67 -0.83 0.71 0.00 0.00 0.00 179.25 179.93 1tpa s TYR 172 N -5.95 1.78 0.12 0.00 1.51 -0.79 -4.93 117.35 109.10 1tpa s TYR 172 Ca -0.13 -2.51 -0.31 0.00 -1.01 0.00 0.00 57.07 53.11 1tpa s TYR 172 Cb 0.17 -1.50 -0.11 0.00 -0.11 0.00 0.00 41.96 40.42 1tpa s TYR 172 CO 0.83 -0.75 1.84 -2.30 -1.11 0.00 0.00 175.55 174.05 1tpa n PRO 173 N 2.88 2.79 -1.68 -1.71 -0.01 -1.09 -2.34 135.00 133.85 1tpa n PRO 173 Ca 0.22 1.02 -0.13 0.00 -0.01 0.00 0.00 63.50 64.60 1tpa n PRO 173 Cb 0.41 -2.91 -0.04 0.00 -0.01 0.00 0.00 33.50 30.96 1tpa n PRO 173 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1tpa n GLY 174 N 4.23 0.83 0.00 -1.23 0.00 -1.26 -4.86 105.19 102.90 1tpa n GLY 174 Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1tpa n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tpa n GLN 175 N -2.49 3.43 -3.22 1.61 6.02 -0.99 -5.03 117.38 116.71 1tpa n GLN 175 Ca -0.14 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.47 1tpa n GLN 175 Cb 0.49 -0.74 -0.06 0.00 1.02 0.00 0.00 30.24 30.95 1tpa n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1tpa s ILE 176 N -1.48 5.12 0.55 5.09 -1.09 -1.25 -5.03 121.20 123.11 1tpa s ILE 176 Ca 0.00 1.09 0.05 0.00 -2.23 0.00 0.00 60.65 59.55 1tpa s ILE 176 Cb 0.00 -3.89 0.05 0.00 -1.58 0.00 0.00 42.46 37.04 1tpa s ILE 176 CO 0.00 0.24 0.38 0.35 -1.23 0.00 0.00 174.94 174.68 1tpa n THR 177 N 4.05 0.00 0.48 2.92 -2.24 -1.26 -5.00 114.28 113.23 1tpa n THR 177 Ca -0.04 -2.21 0.11 0.00 -2.27 0.00 0.00 64.05 59.63 1tpa n THR 177 Cb 0.51 0.02 0.43 0.00 -2.10 0.00 0.00 70.33 69.20 1tpa n THR 177 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1tpa n SER 178 N -1.78 0.44 -0.96 3.42 3.41 -1.26 -1.85 113.62 115.03 1tpa n SER 178 Ca -0.04 0.60 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 1tpa n SER 178 Cb 0.63 -0.70 0.27 0.00 -0.26 0.00 0.00 64.21 64.15 1tpa n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1tpa n ASN 179 N -1.98 2.85 -4.59 4.04 3.02 -1.26 -4.92 115.26 112.42 1tpa n ASN 179 Ca 0.03 -1.92 -0.28 0.00 -0.03 0.00 0.00 54.58 52.38 1tpa n ASN 179 Cb 0.24 -0.25 -0.09 0.00 -0.61 0.00 0.00 39.78 39.06 1tpa n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1tpa s MET 180 N -1.50 2.14 0.36 3.52 -1.94 -0.77 -0.29 119.30 120.82 1tpa s MET 180 Ca 0.37 -1.11 0.04 0.00 -1.71 0.00 0.00 55.69 53.28 1tpa s MET 180 Cb 0.20 -2.27 -0.03 0.00 2.01 0.00 0.00 34.83 34.74 1tpa s MET 180 CO 0.28 0.48 0.13 -0.59 -0.01 0.00 0.00 175.02 175.32 1tpa s PHE 181 N -1.43 1.75 -0.00 -0.03 -0.12 0.05 -4.78 117.98 113.43 1tpa s PHE 181 Ca 0.23 -1.28 0.08 0.00 -0.05 0.00 0.00 56.93 55.91 1tpa s PHE 181 Cb -0.10 -1.07 -0.02 0.00 -0.63 0.00 0.00 43.02 41.20 1tpa s PHE 181 CO 0.15 -0.34 -0.24 0.00 -0.05 0.00 0.00 175.22 174.73 1tpa s ALA 183 N -0.63 -0.20 0.00 0.00 0.00 -0.91 -0.35 121.76 119.66 1tpa s ALA 183 Ca 0.10 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1tpa s ALA 183 Cb -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1tpa s ALA 183 CO -0.00 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1tpa n GLY 184 N 2.73 0.61 2.85 0.00 0.00 -0.96 -3.31 105.19 107.10 1tpa n GLY 184 Ca -0.14 -1.86 -0.26 0.00 0.00 0.00 0.00 46.02 43.75 1tpa n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tpa s TYR 184 N -2.17 1.25 0.32 1.61 1.51 -1.26 -4.29 117.35 114.31 1tpa s TYR 184 Ca 0.00 -0.67 0.38 0.00 -1.01 0.00 0.00 57.07 55.77 1tpa s TYR 184 Cb 0.00 -1.11 1.80 0.00 -0.11 0.00 0.00 41.96 42.54 1tpa s TYR 184 CO 0.00 -0.49 2.14 -0.07 -1.11 0.00 0.00 175.55 176.01 1tpa h LEU 185 N 8.21 0.00 -0.64 -1.29 -0.00 -1.96 -0.20 115.31 119.44 1tpa h LEU 185 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1tpa h LEU 185 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.78 1tpa h LEU 185 CO 0.36 0.00 0.00 1.05 -0.00 0.00 0.00 178.44 179.85 1tpa h GLU 186 N 0.00 0.00 0.00 1.13 4.11 -1.95 0.54 114.58 118.41 1tpa h GLU 186 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1tpa h GLU 186 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1tpa h GLU 186 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.49 1tpa n GLY 187 N 0.31 -0.89 2.09 1.06 0.00 -0.09 -4.34 105.19 103.34 1tpa n GLY 187 Ca 0.03 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1tpa n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tpa n GLY 188 N -1.02 3.01 2.95 -0.02 0.00 0.46 -4.91 105.19 105.65 1tpa n GLY 188 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1tpa n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tpa s LYS 188 N -0.26 1.81 0.14 1.61 1.02 -1.25 -3.40 119.74 119.41 1tpa s LYS 188 Ca 0.00 -0.42 -0.24 0.00 0.02 0.00 0.00 55.97 55.32 1tpa s LYS 188 Cb 0.00 -1.86 0.08 0.00 -0.52 0.00 0.00 37.83 35.53 1tpa s LYS 188 CO 0.00 -0.28 1.07 0.34 -0.92 0.00 0.00 175.35 175.55 1tpa s ASP 189 N 1.61 -0.05 0.16 2.83 3.68 -0.21 -4.47 116.67 120.21 1tpa s ASP 189 Ca 0.04 -0.50 0.03 0.00 2.13 0.00 0.00 52.55 54.26 1tpa s ASP 189 Cb -0.13 0.43 -0.04 0.00 -1.45 0.00 0.00 42.92 41.73 1tpa s ASP 189 CO -0.09 -0.83 0.26 -0.94 0.13 0.00 0.00 175.17 173.70 1tpa s SER 190 N -3.25 6.19 0.13 -0.34 1.04 -1.26 -0.19 113.70 116.01 1tpa s SER 190 Ca 0.19 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.74 1tpa s SER 190 Cb -0.01 -1.82 -0.00 0.00 0.10 0.00 0.00 66.02 64.29 1tpa s SER 190 CO 0.03 0.05 0.15 0.00 0.98 0.00 0.00 173.24 174.45 1tpa n GLN 192 N -0.23 1.56 0.00 0.00 3.00 -1.26 -1.36 117.38 119.09 1tpa n GLN 192 Ca 0.01 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.57 1tpa n GLN 192 Cb 0.22 -2.30 0.00 0.00 0.00 0.00 0.00 30.24 28.16 1tpa n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1tpa n GLY 193 N 3.97 1.60 0.09 1.08 0.00 -1.26 -0.28 105.19 110.39 1tpa n GLY 193 Ca 0.23 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.30 1tpa n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tpa n ASP 194 N 0.00 0.73 -4.07 1.61 10.43 -0.46 -4.03 116.55 120.75 1tpa n ASP 194 Ca 0.00 0.30 -0.55 0.00 2.57 0.00 0.00 54.79 57.12 1tpa n ASP 194 Cb 0.00 0.49 -0.08 0.00 1.84 0.00 0.00 41.12 43.37 1tpa n ASP 194 CO 0.00 0.00 0.00 -0.24 -1.07 0.00 0.00 177.20 175.89 1tpa n SER 195 N -2.74 0.28 0.00 -2.24 2.88 -1.26 -1.67 113.62 108.86 1tpa n SER 195 Ca -0.07 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1tpa n SER 195 Cb 0.73 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 1tpa n SER 195 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1tpa n GLY 196 N 1.93 2.06 3.87 0.46 0.00 -0.14 -0.38 105.19 113.00 1tpa n GLY 196 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1tpa n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tpa s GLY 197 N -1.96 1.59 0.38 -0.02 0.00 -0.67 -3.30 107.32 103.34 1tpa s GLY 197 Ca 0.00 -0.58 -0.24 0.00 0.00 0.00 0.00 44.72 43.90 1tpa s GLY 197 CO 0.00 -0.09 0.97 2.56 0.00 0.00 0.00 173.10 176.54 1tpa s PRO 198 N -5.49 4.33 -0.41 2.90 0.04 -1.26 -1.22 135.00 133.89 1tpa s PRO 198 Ca 0.62 1.29 -0.04 0.00 0.04 0.00 0.00 61.00 62.91 1tpa s PRO 198 Cb -0.12 -2.49 0.11 0.00 0.04 0.00 0.00 34.50 32.05 1tpa s PRO 198 CO 0.50 0.05 0.22 0.08 0.04 0.00 0.00 177.00 177.89 1tpa s VAL 199 N -1.85 3.40 -0.26 -0.36 1.01 -0.52 -3.42 120.40 118.40 1tpa s VAL 199 Ca 0.57 -2.01 -0.08 0.00 0.00 0.00 0.00 61.98 60.46 1tpa s VAL 199 Cb -0.16 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 1tpa s VAL 199 CO 0.20 -0.69 0.08 -0.69 0.00 0.00 0.00 175.10 174.00 1tpa s VAL 200 N 1.17 4.39 -0.19 2.92 1.01 -0.38 -1.41 120.40 127.92 1tpa s VAL 200 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1tpa s VAL 200 Cb -0.23 -3.07 0.04 0.00 0.00 0.00 0.00 36.38 33.12 1tpa s VAL 200 CO -0.04 0.31 -0.09 0.00 0.00 0.00 0.00 175.10 175.29 1tpa n SER 202 N 4.75 -4.91 0.00 0.00 7.64 -1.26 -2.01 113.62 117.83 1tpa n SER 202 Ca -0.14 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.65 1tpa n SER 202 Cb 0.47 -2.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.10 1tpa n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tpa n GLY 203 N -1.85 0.14 3.46 0.23 0.00 -1.26 -4.98 105.19 100.94 1tpa n GLY 203 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1tpa n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tpa s LYS 204 N -1.37 1.81 -0.73 1.61 1.02 -0.85 -4.17 119.74 117.07 1tpa s LYS 204 Ca 0.00 -1.15 -0.27 0.00 0.02 0.00 0.00 55.97 54.57 1tpa s LYS 204 Cb 0.00 -2.10 0.03 0.00 -0.52 0.00 0.00 37.83 35.24 1tpa s LYS 204 CO 0.00 0.49 1.27 -1.17 -0.92 0.00 0.00 175.35 175.03 1tpa s LEU 209 N -1.91 3.18 -0.11 3.17 2.96 -0.13 -0.90 118.68 124.94 1tpa s LEU 209 Ca 0.16 -0.43 0.08 0.00 -0.22 0.00 0.00 54.13 53.71 1tpa s LEU 209 Cb -0.10 -2.58 -0.24 0.00 0.50 0.00 0.00 46.19 43.77 1tpa s LEU 209 CO 0.08 -1.82 0.41 0.00 -1.32 0.00 0.00 176.35 173.69 1tpa n GLN 210 N 9.34 0.68 -4.24 1.98 1.13 -0.50 -4.07 117.38 121.69 1tpa n GLN 210 Ca 0.03 0.22 -0.13 0.00 -1.94 0.00 0.00 57.00 55.18 1tpa n GLN 210 Cb 0.49 -1.70 -0.10 0.00 0.11 0.00 0.00 30.24 29.04 1tpa n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1tpa s GLY 211 N -5.42 1.52 -0.07 1.08 0.00 -1.00 -0.76 107.32 102.67 1tpa s GLY 211 Ca -0.13 -1.75 -0.00 0.00 0.00 0.00 0.00 44.72 42.85 1tpa s GLY 211 CO 0.79 -1.47 -0.04 -0.42 0.00 0.00 0.00 173.10 171.96 1tpa s ILE 212 N -4.00 0.63 -0.03 0.90 1.01 -1.04 -1.43 121.20 117.24 1tpa s ILE 212 Ca 0.37 -0.10 -0.35 0.00 0.00 0.00 0.00 60.65 60.58 1tpa s ILE 212 Cb 0.07 -0.69 -0.13 0.00 0.01 0.00 0.00 42.46 41.72 1tpa s ILE 212 CO 0.12 0.28 1.76 0.52 0.00 0.00 0.00 174.94 177.61 1tpa n VAL 213 N 4.61 0.37 0.00 2.92 0.31 -0.36 -1.34 118.33 124.84 1tpa n VAL 213 Ca -0.16 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1tpa n VAL 213 Cb 0.50 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 1tpa n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1tpa n SER 214 N 5.43 0.00 -3.35 4.52 2.88 -1.00 -0.97 113.62 121.13 1tpa n SER 214 Ca 0.21 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.64 1tpa n SER 214 Cb 0.27 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.71 1tpa n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1tpa s TRP 215 N -0.81 0.53 0.07 0.66 1.48 -0.72 -4.93 118.94 115.22 1tpa s TRP 215 Ca 0.00 -0.94 -0.26 0.00 -1.06 0.00 0.00 56.10 53.83 1tpa s TRP 215 Cb 0.00 0.32 0.09 0.00 -1.16 0.00 0.00 33.47 32.72 1tpa s TRP 215 CO 0.00 -1.25 1.16 0.20 -4.06 0.00 0.00 176.95 173.00 1tpa s GLY 216 N -3.12 -0.14 -0.75 3.67 0.00 -1.26 -0.56 107.32 105.16 1tpa s GLY 216 Ca 0.23 0.10 -0.16 0.00 0.00 0.00 0.00 44.72 44.89 1tpa s GLY 216 CO 0.14 2.40 0.77 -0.45 0.00 0.00 0.00 173.10 175.95 1tpa s SER 217 N -3.34 6.53 0.64 1.64 0.15 -1.26 -4.90 113.70 113.15 1tpa s SER 217 Ca 0.21 -2.18 0.00 0.00 0.70 0.00 0.00 55.95 54.67 1tpa s SER 217 Cb 0.00 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 1tpa s SER 217 CO 0.01 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.25 1tpa n GLY 219 N 4.70 0.69 2.89 9.45 0.00 -1.26 -4.63 105.19 117.02 1tpa n GLY 219 Ca 0.06 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 1tpa n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tpa n ALA 221 N 3.58 -0.40 -1.92 0.00 0.00 -1.26 -4.69 120.51 115.82 1tpa n ALA 221 Ca -0.20 0.28 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 1tpa n ALA 221 Cb 0.54 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.89 1tpa n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1tpa s GLN 221 N -4.13 4.48 0.36 0.00 -0.21 -1.26 -0.41 119.66 118.49 1tpa s GLN 221 Ca 0.00 1.96 -0.29 0.00 0.02 0.00 0.00 55.36 57.06 1tpa s GLN 221 Cb 0.00 -3.19 -0.11 0.00 1.00 0.00 0.00 33.01 30.71 1tpa s GLN 221 CO 0.00 -0.07 1.53 1.63 -2.12 0.00 0.00 175.29 176.26 1tpa n LYS 222 N 1.89 2.72 -0.93 2.91 5.02 -1.26 -2.67 118.16 125.84 1tpa n LYS 222 Ca 0.03 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.27 1tpa n LYS 222 Cb 0.44 -2.71 0.00 0.00 -0.02 0.00 0.00 35.03 32.73 1tpa n LYS 222 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1tpa n ASN 223 N 0.95 -3.20 -3.57 4.39 3.02 0.19 -4.91 115.26 112.12 1tpa n ASN 223 Ca 0.03 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.31 1tpa n ASN 223 Cb 0.38 -1.78 -0.10 0.00 -0.61 0.00 0.00 39.78 37.67 1tpa n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1tpa n LYS 224 N -1.29 1.07 -1.27 3.52 5.02 -1.09 -4.69 118.16 119.43 1tpa n LYS 224 Ca 0.00 -3.81 -0.31 0.00 -2.02 0.00 0.00 58.31 52.17 1tpa n LYS 224 Cb 0.18 -1.92 0.11 0.00 -0.02 0.00 0.00 35.03 33.38 1tpa n LYS 224 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1tpa s PRO 225 N -0.86 1.93 0.59 1.97 0.04 -1.26 -4.33 135.00 133.08 1tpa s PRO 225 Ca 0.31 1.01 -0.18 0.00 0.04 0.00 0.00 61.00 62.18 1tpa s PRO 225 Cb 0.03 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 1tpa s PRO 225 CO -0.16 -1.83 1.18 0.20 0.04 0.00 0.00 177.00 176.43 1tpa s GLY 226 N -3.44 2.65 -0.19 0.56 0.00 -1.21 -4.66 107.32 101.02 1tpa s GLY 226 Ca 0.62 0.92 -0.06 0.00 0.00 0.00 0.00 44.72 46.20 1tpa s GLY 226 CO 0.56 1.30 0.03 0.14 0.00 0.00 0.00 173.10 175.13 1tpa s VAL 227 N -1.72 4.34 0.03 1.40 1.01 0.27 -2.14 120.40 123.59 1tpa s VAL 227 Ca 0.75 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.62 1tpa s VAL 227 Cb -0.28 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1tpa s VAL 227 CO 0.33 0.45 -0.24 -0.31 0.00 0.00 0.00 175.10 175.33 1tpa s TYR 228 N 0.64 2.08 0.08 5.22 2.02 -0.05 -1.76 117.35 125.59 1tpa s TYR 228 Ca 0.01 -0.39 -0.31 0.00 -0.37 0.00 0.00 57.07 56.01 1tpa s TYR 228 Cb -0.14 -1.27 -0.08 0.00 -0.40 0.00 0.00 41.96 40.07 1tpa s TYR 228 CO 0.02 0.07 1.62 0.99 -1.57 0.00 0.00 175.55 176.68 1tpa s THR 229 N -0.73 3.01 -0.93 -0.71 2.01 -0.45 -0.77 115.64 117.07 1tpa s THR 229 Ca 0.10 0.53 -0.24 0.00 0.31 0.00 0.00 61.69 62.38 1tpa s THR 229 Cb -0.09 -3.34 0.03 0.00 0.01 0.00 0.00 72.50 69.11 1tpa s THR 229 CO 0.01 0.01 1.51 -0.75 -0.69 0.00 0.00 174.62 174.70 1tpa s LYS 230 N 2.31 3.32 0.31 4.92 2.20 0.60 -2.49 119.74 130.91 1tpa s LYS 230 Ca 0.72 -0.74 0.01 0.00 -0.36 0.00 0.00 55.97 55.61 1tpa s LYS 230 Cb -0.40 -5.03 0.51 0.00 -1.51 0.00 0.00 37.83 31.40 1tpa s LYS 230 CO 0.32 -2.39 1.87 0.28 -0.36 0.00 0.00 175.35 175.07 1tpa h VAL 231 N 6.71 1.20 -0.29 4.02 2.07 -1.23 -2.74 116.25 126.00 1tpa h VAL 231 Ca 0.07 -0.72 0.08 0.00 0.82 0.00 0.00 66.70 66.95 1tpa h VAL 231 Cb 1.02 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1tpa h VAL 231 CO 1.36 0.27 0.34 0.00 0.02 0.00 0.00 177.57 179.56 1tpa n ASN 233 N -3.67 0.14 -0.21 0.00 4.13 -1.03 -3.89 115.26 110.73 1tpa n ASN 233 Ca 0.04 0.52 0.02 0.00 1.68 0.00 0.00 54.58 56.85 1tpa n ASN 233 Cb 0.49 -0.56 0.03 0.00 -1.54 0.00 0.00 39.78 38.21 1tpa n ASN 233 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1tpa n TYR 234 N -1.64 0.07 -0.13 3.10 4.01 0.44 -4.79 117.16 118.22 1tpa n TYR 234 Ca 0.05 -0.17 -0.03 0.00 -0.16 0.00 0.00 57.90 57.59 1tpa n TYR 234 Cb 0.29 -0.01 0.18 0.00 -0.31 0.00 0.00 39.34 39.48 1tpa n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1tpa h VAL 235 N 0.87 1.23 -0.37 -0.72 2.07 -1.67 0.13 116.25 117.80 1tpa h VAL 235 Ca 0.00 -0.86 -0.12 0.00 0.82 0.00 0.00 66.70 66.54 1tpa h VAL 235 Cb 0.33 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1tpa h VAL 235 CO 0.00 0.32 -0.22 0.28 0.02 0.00 0.00 177.57 177.97 1tpa h SER 236 N 0.80 0.84 -0.79 0.57 0.02 -1.89 -2.28 113.55 110.82 1tpa h SER 236 Ca 0.17 -0.42 0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1tpa h SER 236 Cb 0.33 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 1tpa h SER 236 CO 0.00 1.08 0.52 -0.25 -1.14 0.00 0.00 176.83 177.04 1tpa h TRP 237 N 0.60 0.99 0.04 3.45 7.01 -1.77 -2.25 115.95 124.02 1tpa h TRP 237 Ca 0.08 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 1tpa h TRP 237 Cb 0.78 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 27.51 1tpa h TRP 237 CO 0.06 0.62 -0.02 0.82 -2.79 0.00 0.00 178.44 177.13 1tpa h ILE 238 N 1.07 1.08 -0.39 2.65 2.04 -0.65 -0.37 117.51 122.93 1tpa h ILE 238 Ca 0.29 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.70 1tpa h ILE 238 Cb -0.12 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1tpa h ILE 238 CO -0.06 0.10 -0.04 0.11 0.00 0.00 0.00 178.15 178.25 1tpa h LYS 239 N -0.21 0.72 -0.33 2.37 1.57 -1.31 0.24 116.57 119.61 1tpa h LYS 239 Ca -0.01 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.41 1tpa h LYS 239 Cb 0.19 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1tpa h LYS 239 CO 0.01 0.83 -0.28 0.37 -0.57 0.00 0.00 179.45 179.81 1tpa h GLN 240 N 0.54 0.69 -0.28 3.15 5.75 -1.44 -1.47 115.11 122.06 1tpa h GLN 240 Ca 0.11 -0.30 -0.14 0.00 -0.15 0.00 0.00 58.65 58.17 1tpa h GLN 240 Cb 0.53 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 1tpa h GLN 240 CO 0.03 0.90 -0.39 1.15 -2.65 0.00 0.00 178.83 177.86 1tpa h THR 241 N 0.60 1.29 -0.64 2.39 2.02 -0.80 -2.38 112.91 115.38 1tpa h THR 241 Ca 0.07 -1.56 0.02 0.00 0.77 0.00 0.00 66.41 65.72 1tpa h THR 241 Cb 0.78 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 68.66 1tpa h THR 241 CO 0.06 0.50 0.41 0.40 0.37 0.00 0.00 175.52 177.26 1tpa h ILE 242 N 0.53 1.10 0.00 3.11 1.08 -0.44 -2.84 117.51 120.06 1tpa h ILE 242 Ca 0.05 -0.28 -0.02 0.00 -0.39 0.00 0.00 64.86 64.22 1tpa h ILE 242 Cb 0.91 0.23 -0.00 0.00 -3.07 0.00 0.00 36.82 34.89 1tpa h ILE 242 CO 0.08 0.15 -0.08 0.00 -0.69 0.00 0.00 178.15 177.61 1tpa h ALA 243 N 1.27 0.97 -0.23 1.87 0.00 -0.93 -3.27 119.26 118.94 1tpa h ALA 243 Ca 0.25 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1tpa h ALA 243 Cb -0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1tpa h ALA 243 CO -0.09 0.10 -0.13 -1.13 0.00 0.00 0.00 179.25 177.99 1tpa n SER 244 N -3.15 2.56 0.00 0.00 3.41 -0.93 -5.09 113.62 110.42 1tpa n SER 244 Ca 0.02 -3.59 0.00 0.00 -0.26 0.00 0.00 58.87 55.04 1tpa n SER 244 Cb 0.46 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1tpa n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47