#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppe s VAL 17 N 0.00 5.24 0.00 1.39 1.01 0.08 -3.94 120.40 124.18 1ppe s VAL 17 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1ppe s VAL 17 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1ppe s VAL 17 CO 0.00 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1ppe n GLY 18 N 3.95 0.84 0.00 4.51 0.00 -1.25 -1.97 105.19 111.27 1ppe n GLY 18 Ca -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1ppe n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ppe n GLY 19 N -2.30 3.12 3.54 -0.02 0.00 -1.26 -4.91 105.19 103.35 1ppe n GLY 19 Ca 0.00 -2.12 -0.26 0.00 0.00 0.00 0.00 46.02 43.64 1ppe n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ppe s TYR 20 N 0.72 1.88 -0.29 1.61 -0.85 -0.66 -4.94 117.35 114.82 1ppe s TYR 20 Ca 0.00 -1.11 -0.17 0.00 -0.52 0.00 0.00 57.07 55.27 1ppe s TYR 20 Cb 0.00 -1.29 -0.02 0.00 0.38 0.00 0.00 41.96 41.03 1ppe s TYR 20 CO 0.00 -0.10 0.47 0.99 -1.52 0.00 0.00 175.55 175.39 1ppe s THR 21 N -3.17 5.09 0.32 -3.49 2.01 -1.26 -0.75 115.64 114.39 1ppe s THR 21 Ca 0.25 0.64 0.02 0.00 0.31 0.00 0.00 61.69 62.91 1ppe s THR 21 Cb 0.05 -3.82 0.18 0.00 0.01 0.00 0.00 72.50 68.92 1ppe s THR 21 CO 0.13 0.04 1.88 0.00 -0.69 0.00 0.00 174.62 175.98 1ppe n GLY 23 N -0.98 1.40 3.67 0.00 0.00 -1.26 -4.77 105.19 103.25 1ppe n GLY 23 Ca 0.03 -1.64 -0.47 0.00 0.00 0.00 0.00 46.02 43.94 1ppe n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ppe n ALA 24 N 1.47 1.08 -1.76 4.61 0.00 -1.26 -2.35 120.51 122.31 1ppe n ALA 24 Ca 0.00 0.38 -0.15 0.00 0.00 0.00 0.00 53.44 53.68 1ppe n ALA 24 Cb 0.00 -2.40 -0.04 0.00 0.00 0.00 0.00 19.45 17.01 1ppe n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ppe n ASN 25 N 4.68 -4.04 -0.21 0.00 3.02 -1.26 -4.82 115.26 112.63 1ppe n ASN 25 Ca 0.19 0.29 0.14 0.00 -0.03 0.00 0.00 54.58 55.17 1ppe n ASN 25 Cb 0.29 -3.61 0.62 0.00 -0.61 0.00 0.00 39.78 36.46 1ppe n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ppe n THR 26 N -2.49 0.00 -3.36 3.41 -2.24 -0.99 -4.14 114.28 104.47 1ppe n THR 26 Ca -0.16 -0.11 -0.26 0.00 -2.27 0.00 0.00 64.05 61.26 1ppe n THR 26 Cb 0.53 0.05 -0.08 0.00 -2.10 0.00 0.00 70.33 68.73 1ppe n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ppe n VAL 27 N -0.62 0.69 0.44 2.28 0.31 -1.26 -4.99 118.33 115.18 1ppe n VAL 27 Ca 0.17 -4.52 0.06 0.00 -0.01 0.00 0.00 64.34 60.04 1ppe n VAL 27 Cb 0.28 -2.01 0.26 0.00 -0.91 0.00 0.00 33.84 31.46 1ppe n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1ppe n PRO 28 N 1.35 0.02 0.00 5.55 -0.04 -1.26 -2.02 135.00 138.60 1ppe n PRO 28 Ca 0.25 0.28 0.11 0.00 -0.04 0.00 0.00 63.50 64.10 1ppe n PRO 28 Cb 0.46 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1ppe n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1ppe n TYR 29 N -1.47 0.00 -2.38 0.54 0.18 -1.09 -1.52 117.16 111.41 1ppe n TYR 29 Ca 0.03 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.39 1ppe n TYR 29 Cb 0.14 -0.01 -0.03 0.00 -0.38 0.00 0.00 39.34 39.06 1ppe n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1ppe s GLN 30 N -2.54 4.39 0.29 -3.48 2.00 -0.85 -0.98 119.66 118.48 1ppe s GLN 30 Ca 0.17 1.80 0.09 0.00 -2.00 0.00 0.00 55.36 55.42 1ppe s GLN 30 Cb 0.18 -3.40 -0.06 0.00 0.80 0.00 0.00 33.01 30.53 1ppe s GLN 30 CO 0.61 -0.34 -0.11 0.14 -0.50 0.00 0.00 175.29 175.08 1ppe s VAL 31 N 1.41 2.01 -0.12 1.34 -7.23 -0.98 -4.53 120.40 112.30 1ppe s VAL 31 Ca 0.59 -2.22 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1ppe s VAL 31 Cb -0.29 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 1ppe s VAL 31 CO 0.28 -0.34 -0.16 -0.55 -0.31 0.00 0.00 175.10 174.02 1ppe s SER 32 N -3.48 3.80 -0.23 4.85 0.15 -0.63 -2.53 113.70 115.62 1ppe s SER 32 Ca 0.29 -0.37 -0.18 0.00 0.70 0.00 0.00 55.95 56.39 1ppe s SER 32 Cb 0.01 -1.51 -0.03 0.00 -1.71 0.00 0.00 66.02 62.77 1ppe s SER 32 CO 0.13 0.18 0.51 -0.76 1.20 0.00 0.00 173.24 174.50 1ppe s LEU 33 N 0.28 4.10 -0.08 3.45 1.43 -0.15 -0.81 118.68 126.90 1ppe s LEU 33 Ca -0.11 0.60 0.03 0.00 -1.03 0.00 0.00 54.13 53.61 1ppe s LEU 33 Cb -0.16 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.39 1ppe s LEU 33 CO 0.06 -0.23 -0.15 0.21 0.23 0.00 0.00 176.35 176.47 1ppe s ASN 34 N 1.33 2.12 -0.46 2.29 3.84 0.48 -1.73 114.94 122.81 1ppe s ASN 34 Ca 0.23 -0.37 0.09 0.00 0.21 0.00 0.00 52.86 53.02 1ppe s ASN 34 Cb -0.15 -0.98 0.38 0.00 -0.55 0.00 0.00 41.25 39.95 1ppe s ASN 34 CO 0.09 0.06 0.93 -1.54 -2.79 0.00 0.00 177.10 173.85 1ppe n SER 37 N 3.78 3.19 0.00 -4.21 3.41 -1.26 -1.04 113.62 117.49 1ppe n SER 37 Ca -0.22 -3.38 0.00 0.00 -0.26 0.00 0.00 58.87 55.01 1ppe n SER 37 Cb 0.52 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1ppe n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ppe n GLY 38 N -0.14 3.17 3.49 5.00 0.00 -1.26 -4.95 105.19 110.49 1ppe n GLY 38 Ca 0.28 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 1ppe n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ppe s TYR 39 N -0.13 0.69 0.07 1.61 1.13 -1.26 -5.12 117.35 114.34 1ppe s TYR 39 Ca 0.00 -1.00 -0.31 0.00 -1.41 0.00 0.00 57.07 54.35 1ppe s TYR 39 Cb 0.00 -0.03 -0.07 0.00 -1.10 0.00 0.00 41.96 40.76 1ppe s TYR 39 CO 0.00 -0.96 1.43 -1.58 -2.51 0.00 0.00 175.55 171.93 1ppe s HIS 40 N -3.80 3.01 0.00 -3.49 5.65 -1.26 -4.33 115.29 111.06 1ppe s HIS 40 Ca 0.28 0.82 0.00 0.00 0.25 0.00 0.00 55.06 56.41 1ppe s HIS 40 Cb 0.01 -3.72 0.00 0.00 -1.18 0.00 0.00 32.58 27.69 1ppe s HIS 40 CO 0.12 -2.63 0.00 1.97 -0.65 0.00 0.00 174.74 173.56 1ppe n PHE 41 N 4.62 0.00 -4.07 3.88 -1.74 -0.71 -4.98 117.46 114.46 1ppe n PHE 41 Ca 0.13 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.92 1ppe n PHE 41 Cb 0.42 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.33 1ppe n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1ppe n GLY 43 N -0.11 0.58 3.87 0.00 0.00 0.20 -0.98 105.19 108.74 1ppe n GLY 43 Ca -0.07 -1.89 0.04 0.00 0.00 0.00 0.00 46.02 44.10 1ppe n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ppe s GLY 44 N -1.83 -0.28 -0.06 -0.02 0.00 -1.05 -4.02 107.32 100.05 1ppe s GLY 44 Ca 0.00 0.37 0.02 0.00 0.00 0.00 0.00 44.72 45.11 1ppe s GLY 44 CO 0.00 4.28 -0.11 -0.56 0.00 0.00 0.00 173.10 176.71 1ppe s SER 45 N -3.59 1.71 -0.25 1.64 0.01 -0.17 -2.32 113.70 110.73 1ppe s SER 45 Ca 0.26 -0.28 -0.29 0.00 1.31 0.00 0.00 55.95 56.95 1ppe s SER 45 Cb 0.02 -0.79 0.01 0.00 0.21 0.00 0.00 66.02 65.47 1ppe s SER 45 CO -0.03 0.02 1.02 -0.22 0.41 0.00 0.00 173.24 174.44 1ppe s LEU 46 N 0.72 4.07 0.00 2.44 2.96 -0.15 -0.35 118.68 128.38 1ppe s LEU 46 Ca -0.14 1.29 0.06 0.00 -0.22 0.00 0.00 54.13 55.13 1ppe s LEU 46 Cb -0.16 -3.50 0.02 0.00 0.50 0.00 0.00 46.19 43.05 1ppe s LEU 46 CO 0.03 -0.69 0.59 2.30 -1.32 0.00 0.00 176.35 177.26 1ppe n ILE 47 N 5.40 0.00 -3.50 6.68 -5.35 -0.05 -1.68 119.36 120.86 1ppe n ILE 47 Ca 0.11 -0.47 -0.01 0.00 -0.27 0.00 0.00 62.75 62.12 1ppe n ILE 47 Cb 0.46 1.10 0.00 0.00 -1.74 0.00 0.00 39.64 39.47 1ppe n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1ppe n ASN 48 N 0.01 -0.32 0.11 7.28 2.04 -1.15 -4.61 115.26 118.62 1ppe n ASN 48 Ca 0.03 -1.17 0.12 0.00 -0.44 0.00 0.00 54.58 53.12 1ppe n ASN 48 Cb 0.14 0.52 0.46 0.00 -2.53 0.00 0.00 39.78 38.37 1ppe n ASN 48 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1ppe n SER 49 N -0.71 0.66 -0.00 0.53 3.41 -1.26 -3.25 113.62 112.99 1ppe n SER 49 Ca -0.00 0.63 0.04 0.00 -0.26 0.00 0.00 58.87 59.27 1ppe n SER 49 Cb 0.11 -0.78 -0.06 0.00 -0.26 0.00 0.00 64.21 63.22 1ppe n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ppe n GLN 50 N -2.19 2.31 -4.52 4.33 6.02 -1.26 0.77 117.38 122.83 1ppe n GLN 50 Ca 0.03 -0.04 -0.21 0.00 -0.01 0.00 0.00 57.00 56.78 1ppe n GLN 50 Cb 0.29 -1.04 -0.15 0.00 1.02 0.00 0.00 30.24 30.36 1ppe n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1ppe s TRP 51 N -2.18 1.09 0.07 1.08 0.52 -1.20 -0.89 118.94 117.44 1ppe s TRP 51 Ca 0.00 -0.22 0.10 0.00 0.02 0.00 0.00 56.10 56.00 1ppe s TRP 51 Cb 0.06 -0.70 -0.03 0.00 -1.15 0.00 0.00 33.47 31.65 1ppe s TRP 51 CO 0.35 -0.01 -0.26 0.08 0.02 0.00 0.00 176.95 177.12 1ppe s VAL 52 N -0.34 2.14 -0.03 4.03 1.01 -0.58 -0.87 120.40 125.77 1ppe s VAL 52 Ca 0.04 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.53 1ppe s VAL 52 Cb -0.05 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1ppe s VAL 52 CO -0.00 0.27 0.01 0.54 0.00 0.00 0.00 175.10 175.92 1ppe s VAL 53 N -0.89 4.29 0.32 2.92 0.11 0.53 -1.51 120.40 126.16 1ppe s VAL 53 Ca 0.12 -0.45 -0.04 0.00 -2.93 0.00 0.00 61.98 58.68 1ppe s VAL 53 Cb -0.10 -2.88 0.02 0.00 -1.53 0.00 0.00 36.38 31.89 1ppe s VAL 53 CO 0.03 0.46 0.49 -0.24 -3.33 0.00 0.00 175.10 172.51 1ppe n SER 54 N 1.64 -1.39 -4.73 3.54 2.88 -0.59 -1.00 113.62 113.96 1ppe n SER 54 Ca -0.16 -2.60 -0.41 0.00 -1.33 0.00 0.00 58.87 54.38 1ppe n SER 54 Cb 0.53 2.50 -0.05 0.00 -0.75 0.00 0.00 64.21 66.44 1ppe n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ppe s ALA 55 N -2.46 3.28 0.37 -1.46 0.00 -1.26 -0.51 121.76 119.71 1ppe s ALA 55 Ca 0.23 0.53 0.04 0.00 0.00 0.00 0.00 51.96 52.75 1ppe s ALA 55 Cb -0.02 -3.22 0.70 0.00 0.00 0.00 0.00 23.12 20.59 1ppe s ALA 55 CO 0.16 0.02 2.02 0.00 0.00 0.00 0.00 175.76 177.97 1ppe h ALA 56 N 5.40 1.59 0.00 0.00 0.00 -1.69 0.17 119.26 124.73 1ppe h ALA 56 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ppe h ALA 56 Cb 1.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1ppe h ALA 56 CO 0.71 0.38 0.00 -2.39 0.00 0.00 0.00 179.25 177.95 1ppe n HIS 57 N -4.45 0.00 1.03 0.00 1.44 -1.26 -1.63 115.22 110.35 1ppe n HIS 57 Ca 0.05 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.89 1ppe n HIS 57 Cb 0.05 -0.18 0.45 0.00 0.12 0.00 0.00 29.99 30.43 1ppe n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ppe n TYR 59 N -1.46 1.48 -3.72 0.00 9.36 -0.65 -4.99 117.16 117.19 1ppe n TYR 59 Ca 0.07 0.62 -0.13 0.00 3.32 0.00 0.00 57.90 61.78 1ppe n TYR 59 Cb 0.33 -2.32 -0.08 0.00 -0.63 0.00 0.00 39.34 36.65 1ppe n TYR 59 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1ppe s LYS 60 N -0.33 0.79 0.47 2.98 1.02 -1.26 -5.15 119.74 118.26 1ppe s LYS 60 Ca 0.73 -0.31 -0.11 0.00 0.02 0.00 0.00 55.97 56.30 1ppe s LYS 60 Cb -0.81 0.35 -0.06 0.00 -0.52 0.00 0.00 37.83 36.79 1ppe s LYS 60 CO 0.51 -0.25 0.85 0.45 -0.92 0.00 0.00 175.35 175.99 1ppe s SER 61 N -1.71 6.45 -0.75 2.83 0.15 -1.26 -4.01 113.70 115.40 1ppe s SER 61 Ca -0.09 1.22 -0.01 0.00 0.70 0.00 0.00 55.95 57.77 1ppe s SER 61 Cb -0.02 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1ppe s SER 61 CO 0.01 -0.53 0.07 0.61 1.20 0.00 0.00 173.24 174.59 1ppe n GLY 62 N -1.72 0.04 3.73 9.45 0.00 -1.26 -5.00 105.19 110.43 1ppe n GLY 62 Ca 0.03 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1ppe n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ppe s ILE 63 N -2.54 2.03 -0.16 -0.61 1.01 -1.26 -4.79 121.20 114.88 1ppe s ILE 63 Ca 0.03 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.67 1ppe s ILE 63 Cb -0.01 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 1ppe s ILE 63 CO 0.04 0.00 -0.03 -1.58 0.00 0.00 0.00 174.94 173.38 1ppe s GLN 64 N 0.40 3.69 -0.17 2.79 0.74 -0.21 -1.56 119.66 125.34 1ppe s GLN 64 Ca 0.70 -0.50 -0.14 0.00 0.05 0.00 0.00 55.36 55.47 1ppe s GLN 64 Cb -0.49 -2.94 -0.05 0.00 1.10 0.00 0.00 33.01 30.64 1ppe s GLN 64 CO 0.40 0.25 0.28 0.08 -0.55 0.00 0.00 175.29 175.75 1ppe s VAL 65 N 0.34 5.31 -0.19 1.34 1.01 0.22 -0.39 120.40 128.04 1ppe s VAL 65 Ca -0.04 0.52 -0.03 0.00 0.00 0.00 0.00 61.98 62.44 1ppe s VAL 65 Cb -0.14 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1ppe s VAL 65 CO 0.03 0.38 -0.07 -0.13 0.00 0.00 0.00 175.10 175.30 1ppe s ARG 66 N 0.56 3.39 0.19 2.72 0.52 0.01 -0.80 118.95 125.54 1ppe s ARG 66 Ca 0.16 -0.64 0.09 0.00 -0.52 0.00 0.00 55.73 54.82 1ppe s ARG 66 Cb -0.13 -2.89 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 1ppe s ARG 66 CO 0.04 -0.05 -0.07 -0.51 0.02 0.00 0.00 175.30 174.72 1ppe s LEU 67 N 1.08 3.04 -0.96 2.53 1.02 0.36 -1.61 118.68 124.15 1ppe s LEU 67 Ca 0.01 -0.57 0.00 0.00 0.02 0.00 0.00 54.13 53.59 1ppe s LEU 67 Cb -0.15 -1.70 0.00 0.00 0.02 0.00 0.00 46.19 44.37 1ppe s LEU 67 CO -0.01 0.09 0.00 0.61 0.02 0.00 0.00 176.35 177.06 1ppe n GLY 69 N -0.11 0.54 3.80 -3.19 0.00 -1.26 0.03 105.19 105.00 1ppe n GLY 69 Ca -0.10 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 1ppe n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ppe s GLU 70 N -3.69 4.38 0.05 1.61 0.41 -1.26 -3.80 118.70 116.39 1ppe s GLU 70 Ca 0.00 1.05 -0.00 0.00 -0.41 0.00 0.00 54.97 55.61 1ppe s GLU 70 Cb 0.00 -2.83 -0.00 0.00 -1.78 0.00 0.00 34.13 29.52 1ppe s GLU 70 CO 0.00 0.34 -0.00 -3.47 -0.49 0.00 0.00 175.26 171.64 1ppe n ASP 71 N 0.62 0.54 -4.52 -0.19 2.03 -1.26 -4.56 116.55 109.21 1ppe n ASP 71 Ca -0.00 0.07 -0.43 0.00 0.52 0.00 0.00 54.79 54.95 1ppe n ASP 71 Cb 0.51 -0.17 -0.04 0.00 -0.72 0.00 0.00 41.12 40.70 1ppe n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1ppe s ASN 72 N -5.48 6.32 0.00 1.67 3.84 -1.26 -3.63 114.94 116.39 1ppe s ASN 72 Ca -0.00 -0.39 0.03 0.00 0.21 0.00 0.00 52.86 52.71 1ppe s ASN 72 Cb 0.00 -2.46 0.14 0.00 -0.55 0.00 0.00 41.25 38.38 1ppe s ASN 72 CO 0.00 -1.34 1.07 2.30 -2.79 0.00 0.00 177.10 176.34 1ppe n ILE 73 N 6.23 1.65 0.40 -5.21 -5.35 -0.24 -2.64 119.36 114.20 1ppe n ILE 73 Ca 0.02 0.41 0.08 0.00 -0.27 0.00 0.00 62.75 62.99 1ppe n ILE 73 Cb 0.47 -1.36 -0.10 0.00 -1.74 0.00 0.00 39.64 36.92 1ppe n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1ppe n ASN 74 N -1.46 1.02 -3.94 7.28 3.02 -1.26 -4.96 115.26 114.96 1ppe n ASN 74 Ca 0.01 -0.48 -0.26 0.00 -0.03 0.00 0.00 54.58 53.82 1ppe n ASN 74 Cb 0.04 1.32 -0.17 0.00 -0.61 0.00 0.00 39.78 40.36 1ppe n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ppe s VAL 75 N -2.73 1.07 -0.21 2.41 1.01 -1.08 -5.12 120.40 115.75 1ppe s VAL 75 Ca 0.01 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 1ppe s VAL 75 Cb 0.11 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 1ppe s VAL 75 CO 0.64 0.37 1.34 -0.69 0.00 0.00 0.00 175.10 176.75 1ppe s VAL 76 N 1.45 4.13 -1.08 2.92 1.01 -1.26 -4.63 120.40 122.94 1ppe s VAL 76 Ca 0.00 1.33 0.10 0.00 0.00 0.00 0.00 61.98 63.41 1ppe s VAL 76 Cb -0.13 -3.99 0.15 0.00 0.00 0.00 0.00 36.38 32.41 1ppe s VAL 76 CO -0.06 -0.27 0.97 -0.62 0.00 0.00 0.00 175.10 175.13 1ppe n GLU 77 N 7.00 1.32 -2.14 2.72 1.02 -1.26 -4.98 120.64 124.32 1ppe n GLU 77 Ca 0.15 -1.43 -0.16 0.00 -0.02 0.00 0.00 57.16 55.70 1ppe n GLU 77 Cb 0.45 -1.21 -0.02 0.00 -0.02 0.00 0.00 31.44 30.65 1ppe n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ppe n GLY 78 N 0.50 0.08 0.91 0.62 0.00 -1.26 -4.92 105.19 101.12 1ppe n GLY 78 Ca 0.07 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1ppe n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ppe n ASN 79 N -0.95 2.92 -4.80 1.61 3.02 -1.26 -5.01 115.26 110.78 1ppe n ASN 79 Ca -0.18 -1.91 -0.33 0.00 -0.03 0.00 0.00 54.58 52.12 1ppe n ASN 79 Cb 0.62 -0.05 -0.01 0.00 -0.61 0.00 0.00 39.78 39.72 1ppe n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ppe s GLU 80 N -1.70 3.59 -0.05 3.52 8.01 -1.25 -4.43 118.70 126.39 1ppe s GLU 80 Ca 0.28 1.26 0.02 0.00 0.01 0.00 0.00 54.97 56.54 1ppe s GLU 80 Cb 0.19 -2.07 0.01 0.00 -4.31 0.00 0.00 34.13 27.95 1ppe s GLU 80 CO 0.27 -0.59 -0.11 -0.65 0.01 0.00 0.00 175.26 174.20 1ppe s GLN 81 N -3.67 1.45 -0.25 1.61 -0.21 0.10 -4.95 119.66 113.75 1ppe s GLN 81 Ca 0.65 -0.36 -0.03 0.00 0.02 0.00 0.00 55.36 55.65 1ppe s GLN 81 Cb -0.16 -1.24 0.02 0.00 1.00 0.00 0.00 33.01 32.63 1ppe s GLN 81 CO 0.28 0.03 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.38 1ppe s PHE 82 N 0.61 3.05 -0.04 0.91 0.40 -1.26 0.14 117.98 121.78 1ppe s PHE 82 Ca -0.12 -1.39 0.01 0.00 -0.60 0.00 0.00 56.93 54.83 1ppe s PHE 82 Cb -0.14 -2.09 0.02 0.00 0.51 0.00 0.00 43.02 41.32 1ppe s PHE 82 CO 0.03 -0.69 -0.04 0.42 0.70 0.00 0.00 175.22 175.65 1ppe s ILE 83 N 1.37 0.47 0.59 0.64 1.01 0.02 -4.98 121.20 120.32 1ppe s ILE 83 Ca 0.01 -0.08 -0.18 0.00 0.00 0.00 0.00 60.65 60.40 1ppe s ILE 83 Cb -0.16 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 1ppe s ILE 83 CO -0.04 0.21 1.15 -0.44 0.00 0.00 0.00 174.94 175.82 1ppe s SER 84 N 0.97 5.40 0.07 3.58 0.01 -1.26 -0.61 113.70 121.86 1ppe s SER 84 Ca -0.10 2.19 -0.31 0.00 1.31 0.00 0.00 55.95 59.04 1ppe s SER 84 Cb -0.14 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.45 1ppe s SER 84 CO -0.00 -1.44 1.21 0.00 0.41 0.00 0.00 173.24 173.42 1ppe s ALA 85 N -1.87 3.40 -0.04 1.44 0.00 -0.60 -0.41 121.76 123.68 1ppe s ALA 85 Ca 0.73 0.87 0.02 0.00 0.00 0.00 0.00 51.96 53.58 1ppe s ALA 85 Cb -0.25 -3.45 -0.25 0.00 0.00 0.00 0.00 23.12 19.17 1ppe s ALA 85 CO 0.32 -0.44 0.67 1.03 0.00 0.00 0.00 175.76 177.35 1ppe h SER 86 N 6.74 0.24 -4.27 0.00 0.87 -0.95 -3.45 113.55 112.73 1ppe h SER 86 Ca -0.42 -0.43 -0.11 0.00 -1.23 0.00 0.00 61.79 59.60 1ppe h SER 86 Cb 1.21 -0.08 -0.22 0.00 -0.44 0.00 0.00 62.40 62.87 1ppe h SER 86 CO 0.81 1.38 -0.18 -0.75 -0.53 0.00 0.00 176.83 177.56 1ppe s LYS 87 N -2.60 0.60 -0.07 2.24 2.20 -1.03 -4.99 119.74 116.10 1ppe s LYS 87 Ca -0.11 0.38 0.02 0.00 -0.36 0.00 0.00 55.97 55.91 1ppe s LYS 87 Cb 0.07 0.29 0.01 0.00 -1.51 0.00 0.00 37.83 36.69 1ppe s LYS 87 CO 0.82 -0.12 -0.13 -1.12 -0.36 0.00 0.00 175.35 174.45 1ppe s SER 88 N -0.29 1.88 -0.36 1.43 0.01 -1.26 -0.10 113.70 115.01 1ppe s SER 88 Ca -0.04 -0.31 0.03 0.00 1.31 0.00 0.00 55.95 56.93 1ppe s SER 88 Cb -0.03 -0.86 0.11 0.00 0.21 0.00 0.00 66.02 65.44 1ppe s SER 88 CO 0.02 0.03 0.10 -0.63 0.41 0.00 0.00 173.24 173.17 1ppe s ILE 89 N 0.72 1.92 0.20 1.44 1.01 0.93 -4.96 121.20 122.46 1ppe s ILE 89 Ca -0.13 -2.25 -0.30 0.00 0.00 0.00 0.00 60.65 57.96 1ppe s ILE 89 Cb -0.16 -2.41 -0.09 0.00 0.01 0.00 0.00 42.46 39.81 1ppe s ILE 89 CO 0.03 -0.66 1.27 -0.69 0.00 0.00 0.00 174.94 174.89 1ppe s VAL 90 N 0.89 3.29 0.17 2.92 1.01 -1.26 -1.59 120.40 125.83 1ppe s VAL 90 Ca 0.12 1.08 -0.34 0.00 0.00 0.00 0.00 61.98 62.85 1ppe s VAL 90 Cb -0.20 -3.69 -0.15 0.00 0.00 0.00 0.00 36.38 32.34 1ppe s VAL 90 CO -0.11 0.17 1.41 1.57 0.00 0.00 0.00 175.10 178.15 1ppe n HIS 91 N 2.47 1.92 0.01 5.22 -0.00 -0.98 -4.86 115.22 119.00 1ppe n HIS 91 Ca 0.05 0.46 0.23 0.00 0.46 0.00 0.00 57.72 58.92 1ppe n HIS 91 Cb 0.43 -2.43 0.71 0.00 -0.12 0.00 0.00 29.99 28.58 1ppe n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1ppe h PRO 92 N 4.72 0.00 -0.37 1.57 0.13 -1.93 -0.11 132.00 136.01 1ppe h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ppe h PRO 92 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1ppe h PRO 92 CO 0.80 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 179.00 1ppe n SER 93 N -3.72 4.52 -4.73 1.44 7.64 -1.26 -4.98 113.62 112.53 1ppe n SER 93 Ca 0.11 -2.98 -0.42 0.00 1.01 0.00 0.00 58.87 56.58 1ppe n SER 93 Cb 0.79 -0.59 -0.01 0.00 -1.01 0.00 0.00 64.21 63.39 1ppe n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ppe n TYR 94 N -0.12 2.63 -3.99 1.43 9.36 -0.06 -4.62 117.16 121.79 1ppe n TYR 94 Ca 0.24 0.37 -0.31 0.00 3.32 0.00 0.00 57.90 61.52 1ppe n TYR 94 Cb 1.00 -2.53 -0.16 0.00 -0.63 0.00 0.00 39.34 37.02 1ppe n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1ppe s ASN 95 N 0.24 3.65 0.17 2.98 3.84 -0.84 -5.00 114.94 119.99 1ppe s ASN 95 Ca 0.62 -1.03 0.23 0.00 0.21 0.00 0.00 52.86 52.89 1ppe s ASN 95 Cb -0.54 -1.26 0.90 0.00 -0.55 0.00 0.00 41.25 39.80 1ppe s ASN 95 CO 0.53 -0.17 1.71 -1.54 -2.79 0.00 0.00 177.10 174.83 1ppe n SER 96 N 4.65 0.51 0.11 -4.21 3.41 -1.26 0.55 113.62 117.37 1ppe n SER 96 Ca -0.14 0.59 -0.20 0.00 -0.26 0.00 0.00 58.87 58.86 1ppe n SER 96 Cb 0.45 -0.71 -0.15 0.00 -0.26 0.00 0.00 64.21 63.54 1ppe n SER 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1ppe h ASN 97 N 0.00 0.61 0.00 4.04 -0.26 -1.97 -3.38 115.58 114.61 1ppe h ASN 97 Ca 0.00 -0.70 0.00 0.00 -0.56 0.00 0.00 56.30 55.04 1ppe h ASN 97 Cb 0.45 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.51 1ppe h ASN 97 CO 0.00 1.56 -0.56 0.35 -1.06 0.00 0.00 177.43 177.72 1ppe n THR 98 N -3.60 0.00 -1.35 2.81 -2.24 -1.10 -4.96 114.28 103.84 1ppe n THR 98 Ca -0.15 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 1ppe n THR 98 Cb 1.07 0.97 -0.05 0.00 -2.10 0.00 0.00 70.33 70.21 1ppe n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ppe n LEU 99 N -1.28 -0.84 -4.75 3.22 4.77 0.19 -5.01 117.00 113.29 1ppe n LEU 99 Ca 0.02 0.30 -0.40 0.00 -0.03 0.00 0.00 56.01 55.89 1ppe n LEU 99 Cb 0.18 -1.95 -0.04 0.00 -2.33 0.00 0.00 43.42 39.27 1ppe n LEU 99 CO 0.22 -0.67 0.80 0.21 -1.33 0.00 0.00 177.39 176.62 1ppe s ASN 100 N -2.81 7.24 -1.07 -1.43 3.04 -1.18 -3.22 114.94 115.52 1ppe s ASN 100 Ca 0.00 2.26 -0.06 0.00 0.04 0.00 0.00 52.86 55.10 1ppe s ASN 100 Cb 0.00 -2.62 0.01 0.00 -1.54 0.00 0.00 41.25 37.09 1ppe s ASN 100 CO 0.00 -0.18 0.81 0.59 -3.04 0.00 0.00 177.10 175.28 1ppe n ASN 101 N 1.43 -5.28 -4.35 -4.21 4.13 -1.26 -1.98 115.26 103.75 1ppe n ASN 101 Ca -0.00 -0.37 -0.43 0.00 1.68 0.00 0.00 54.58 55.46 1ppe n ASN 101 Cb 0.45 -3.93 0.00 0.00 -1.54 0.00 0.00 39.78 34.75 1ppe n ASN 101 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1ppe n ASP 102 N -1.83 4.77 -3.91 6.41 2.03 -1.20 -4.36 116.55 118.46 1ppe n ASP 102 Ca -0.01 -2.92 -0.10 0.00 0.52 0.00 0.00 54.79 52.27 1ppe n ASP 102 Cb 0.56 -1.69 -0.10 0.00 -0.72 0.00 0.00 41.12 39.17 1ppe n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ppe s ILE 103 N 3.38 0.11 -0.00 5.18 2.07 -1.26 -3.98 121.20 126.69 1ppe s ILE 103 Ca 0.50 -0.87 -0.29 0.00 -1.41 0.00 0.00 60.65 58.58 1ppe s ILE 103 Cb 0.05 -0.58 0.07 0.00 0.13 0.00 0.00 42.46 42.14 1ppe s ILE 103 CO 0.03 -0.48 0.67 -0.32 -1.91 0.00 0.00 174.94 172.93 1ppe s MET 104 N -1.85 1.11 -0.06 3.50 -2.45 0.33 -2.32 119.30 117.56 1ppe s MET 104 Ca -0.11 0.08 0.03 0.00 -1.25 0.00 0.00 55.69 54.43 1ppe s MET 104 Cb -0.06 0.52 -0.02 0.00 1.25 0.00 0.00 34.83 36.52 1ppe s MET 104 CO -0.01 -0.38 -0.13 -0.51 1.05 0.00 0.00 175.02 175.04 1ppe s LEU 105 N -1.57 2.80 -0.13 4.11 1.02 -0.62 -1.54 118.68 122.74 1ppe s LEU 105 Ca -0.08 -0.19 0.03 0.00 0.02 0.00 0.00 54.13 53.91 1ppe s LEU 105 Cb -0.00 -1.58 0.01 0.00 0.02 0.00 0.00 46.19 44.64 1ppe s LEU 105 CO 0.04 0.32 -0.21 -0.63 0.02 0.00 0.00 176.35 175.89 1ppe s ILE 106 N -0.59 1.97 -0.05 -0.59 1.01 -0.57 -0.05 121.20 122.33 1ppe s ILE 106 Ca 0.08 -0.93 -0.18 0.00 0.00 0.00 0.00 60.65 59.63 1ppe s ILE 106 Cb -0.11 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 1ppe s ILE 106 CO 0.01 0.53 0.49 -0.75 0.00 0.00 0.00 174.94 175.23 1ppe s LYS 107 N 0.80 4.22 0.42 2.79 2.20 0.86 -1.53 119.74 129.50 1ppe s LYS 107 Ca -0.08 0.52 -0.23 0.00 -0.36 0.00 0.00 55.97 55.83 1ppe s LYS 107 Cb -0.16 -3.35 -0.09 0.00 -1.51 0.00 0.00 37.83 32.72 1ppe s LYS 107 CO -0.01 0.38 1.01 -0.51 -0.36 0.00 0.00 175.35 175.86 1ppe s LEU 108 N -0.12 4.06 0.53 5.43 1.43 -0.06 -0.39 118.68 129.55 1ppe s LEU 108 Ca 0.27 1.91 0.31 0.00 -1.03 0.00 0.00 54.13 55.59 1ppe s LEU 108 Cb -0.17 -4.32 1.34 0.00 0.03 0.00 0.00 46.19 43.07 1ppe s LEU 108 CO 0.13 -0.47 1.98 0.50 0.23 0.00 0.00 176.35 178.72 1ppe h LYS 109 N 2.25 0.00 -4.17 1.70 3.64 -1.03 -3.41 116.57 115.55 1ppe h LYS 109 Ca -0.48 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 58.78 1ppe h LYS 109 Cb 1.21 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.88 1ppe h LYS 109 CO 0.62 0.07 -0.62 -1.12 -2.27 0.00 0.00 179.45 176.13 1ppe s SER 110 N -5.83 0.40 0.50 4.20 0.01 -1.26 -4.99 113.70 106.73 1ppe s SER 110 Ca 0.00 -0.95 -0.20 0.00 1.31 0.00 0.00 55.95 56.11 1ppe s SER 110 Cb 0.10 0.24 -0.08 0.00 0.21 0.00 0.00 66.02 66.49 1ppe s SER 110 CO 0.56 -0.64 1.05 0.00 0.41 0.00 0.00 173.24 174.62 1ppe s ALA 111 N -3.92 2.84 0.61 1.44 0.00 -1.26 -4.84 121.76 116.63 1ppe s ALA 111 Ca 0.08 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 52.53 1ppe s ALA 111 Cb 0.07 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 1ppe s ALA 111 CO -0.09 -0.41 1.03 0.00 0.00 0.00 0.00 175.76 176.29 1ppe s ALA 112 N -2.00 3.02 -0.20 0.00 0.00 0.23 -4.98 121.76 117.83 1ppe s ALA 112 Ca 0.68 0.00 -0.19 0.00 0.00 0.00 0.00 51.96 52.45 1ppe s ALA 112 Cb -0.17 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1ppe s ALA 112 CO 0.22 -0.69 0.52 -1.12 0.00 0.00 0.00 175.76 174.69 1ppe s SER 113 N -3.88 6.57 0.06 0.00 0.01 -1.26 -4.83 113.70 110.37 1ppe s SER 113 Ca 0.56 0.68 -0.30 0.00 1.31 0.00 0.00 55.95 58.21 1ppe s SER 113 Cb -0.11 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 1ppe s SER 113 CO 0.49 -0.18 0.99 -0.76 0.41 0.00 0.00 173.24 174.19 1ppe s LEU 114 N 1.62 4.43 0.00 2.44 1.43 -1.26 -4.78 118.68 122.56 1ppe s LEU 114 Ca 0.24 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 55.10 1ppe s LEU 114 Cb -0.15 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1ppe s LEU 114 CO 0.10 -0.19 0.00 -0.46 0.23 0.00 0.00 176.35 176.03 1ppe n ASN 115 N 3.38 0.00 0.20 2.29 0.23 -0.42 -4.95 115.26 115.99 1ppe n ASN 115 Ca 0.05 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.20 1ppe n ASN 115 Cb 0.50 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.34 1ppe n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1ppe h SER 116 N 0.00 0.00 0.86 0.53 4.64 -2.00 -3.05 113.55 114.53 1ppe h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ppe h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ppe h SER 116 CO 0.00 0.08 -1.09 0.54 -0.87 0.00 0.00 176.83 175.50 1ppe n ARG 117 N -3.11 0.58 -3.84 4.77 1.74 -1.26 -4.78 116.66 110.76 1ppe n ARG 117 Ca 0.04 0.08 -0.30 0.00 -0.77 0.00 0.00 57.85 56.90 1ppe n ARG 117 Cb 0.57 -1.78 -0.15 0.00 -1.02 0.00 0.00 32.46 30.07 1ppe n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ppe s VAL 118 N -3.36 1.27 0.04 1.55 1.01 -1.15 -4.46 120.40 115.30 1ppe s VAL 118 Ca -0.01 -1.46 -0.09 0.00 0.00 0.00 0.00 61.98 60.42 1ppe s VAL 118 Cb 0.10 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.65 1ppe s VAL 118 CO 0.80 -0.48 0.19 0.00 0.00 0.00 0.00 175.10 175.62 1ppe s ALA 119 N 1.45 -0.34 0.16 5.51 0.00 -0.57 -1.30 121.76 126.66 1ppe s ALA 119 Ca 0.05 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.73 1ppe s ALA 119 Cb -0.18 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 1ppe s ALA 119 CO -0.15 -0.37 0.29 -1.54 0.00 0.00 0.00 175.76 173.99 1ppe s SER 120 N -2.12 6.31 -0.03 0.00 1.04 -1.26 -2.69 113.70 114.95 1ppe s SER 120 Ca -0.05 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1ppe s SER 120 Cb -0.01 -1.89 -0.04 0.00 0.10 0.00 0.00 66.02 64.19 1ppe s SER 120 CO -0.04 0.04 0.00 -0.51 0.98 0.00 0.00 173.24 173.71 1ppe s ILE 121 N -1.78 4.22 0.68 -1.02 1.10 -0.68 -4.87 121.20 118.85 1ppe s ILE 121 Ca 0.34 -0.49 -0.11 0.00 -0.51 0.00 0.00 60.65 59.88 1ppe s ILE 121 Cb -0.11 -2.85 -0.00 0.00 0.15 0.00 0.00 42.46 39.65 1ppe s ILE 121 CO 0.28 0.44 1.06 -0.44 -2.11 0.00 0.00 174.94 174.17 1ppe s SER 122 N -1.37 5.64 0.17 4.50 0.01 -1.26 -4.67 113.70 116.72 1ppe s SER 122 Ca 0.18 1.45 -0.15 0.00 1.31 0.00 0.00 55.95 58.74 1ppe s SER 122 Cb -0.11 -2.37 -0.07 0.00 0.21 0.00 0.00 66.02 63.67 1ppe s SER 122 CO 0.08 -1.26 0.59 -0.76 0.41 0.00 0.00 173.24 172.30 1ppe s LEU 123 N -5.40 4.32 0.57 2.44 1.43 -1.26 -0.59 118.68 120.19 1ppe s LEU 123 Ca 0.57 1.13 -0.17 0.00 -1.03 0.00 0.00 54.13 54.64 1ppe s LEU 123 Cb -0.12 -3.38 -0.05 0.00 0.03 0.00 0.00 46.19 42.67 1ppe s LEU 123 CO 0.54 0.07 1.05 -2.16 0.23 0.00 0.00 176.35 176.08 1ppe s PRO 124 N -2.06 3.43 -0.08 1.29 0.04 -1.26 -4.84 135.00 131.52 1ppe s PRO 124 Ca 0.40 1.23 0.20 0.00 0.04 0.00 0.00 61.00 62.87 1ppe s PRO 124 Cb -0.15 -2.05 -0.30 0.00 0.04 0.00 0.00 34.50 32.05 1ppe s PRO 124 CO 0.20 -0.72 0.34 0.25 0.04 0.00 0.00 177.00 177.10 1ppe n THR 125 N -1.81 0.39 -4.16 1.26 -2.24 -1.26 -4.92 114.28 101.54 1ppe n THR 125 Ca 0.09 -0.58 -0.11 0.00 -2.27 0.00 0.00 64.05 61.18 1ppe n THR 125 Cb 0.53 -0.13 -0.09 0.00 -2.10 0.00 0.00 70.33 68.54 1ppe n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ppe s SER 127 N -4.70 0.16 0.67 3.42 1.04 -1.26 -5.13 113.70 107.90 1ppe s SER 127 Ca -0.08 -1.28 -0.12 0.00 0.48 0.00 0.00 55.95 54.95 1ppe s SER 127 Cb 0.11 0.38 -0.00 0.00 0.10 0.00 0.00 66.02 66.61 1ppe s SER 127 CO 0.85 -0.85 1.06 0.00 0.98 0.00 0.00 173.24 175.28 1ppe s ALA 129 N -2.97 3.85 0.35 0.00 0.00 -1.26 -5.09 121.76 116.65 1ppe s ALA 129 Ca 0.59 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.55 1ppe s ALA 129 Cb -0.14 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 1ppe s ALA 129 CO 0.52 0.62 0.53 -1.54 0.00 0.00 0.00 175.76 175.88 1ppe s SER 130 N -2.96 6.06 0.24 0.00 1.04 -1.26 -5.04 113.70 111.79 1ppe s SER 130 Ca 0.33 0.13 -0.30 0.00 0.48 0.00 0.00 55.95 56.59 1ppe s SER 130 Cb -0.11 -1.61 -0.11 0.00 0.10 0.00 0.00 66.02 64.29 1ppe s SER 130 CO 0.27 -0.42 1.55 0.00 0.98 0.00 0.00 173.24 175.62 1ppe s ALA 132 N -2.28 3.73 0.00 5.32 0.00 -1.26 -1.78 121.76 125.49 1ppe s ALA 132 Ca 0.43 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.84 1ppe s ALA 132 Cb -0.10 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1ppe s ALA 132 CO 0.34 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.66 1ppe n GLY 133 N 2.65 2.59 3.69 0.00 0.00 0.38 -4.94 105.19 109.56 1ppe n GLY 133 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1ppe n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ppe s THR 134 N -2.74 4.25 0.11 2.61 2.01 -0.73 -4.69 115.64 116.45 1ppe s THR 134 Ca 0.00 1.58 -0.30 0.00 0.31 0.00 0.00 61.69 63.27 1ppe s THR 134 Cb 0.00 -4.01 -0.06 0.00 0.01 0.00 0.00 72.50 68.43 1ppe s THR 134 CO 0.00 0.01 1.12 -1.58 -0.69 0.00 0.00 174.62 173.48 1ppe s GLN 135 N 2.13 4.53 0.24 4.92 0.74 -1.26 -1.21 119.66 129.75 1ppe s GLN 135 Ca 0.56 1.70 0.05 0.00 0.05 0.00 0.00 55.36 57.72 1ppe s GLN 135 Cb -0.25 -3.32 -0.05 0.00 1.10 0.00 0.00 33.01 30.48 1ppe s GLN 135 CO 0.22 -0.06 -0.03 0.00 -0.55 0.00 0.00 175.29 174.87 1ppe s LEU 137 N -3.35 3.41 -0.05 0.00 2.96 0.24 -1.06 118.68 120.83 1ppe s LEU 137 Ca 0.28 -0.11 0.05 0.00 -0.22 0.00 0.00 54.13 54.13 1ppe s LEU 137 Cb 0.05 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 1ppe s LEU 137 CO 0.09 0.11 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.41 1ppe s ILE 138 N 0.72 2.62 0.06 6.68 1.01 -0.32 -0.68 121.20 131.28 1ppe s ILE 138 Ca 0.01 -0.88 -0.00 0.00 0.00 0.00 0.00 60.65 59.78 1ppe s ILE 138 Cb -0.14 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 1ppe s ILE 138 CO 0.02 0.58 -0.04 -0.94 0.00 0.00 0.00 174.94 174.56 1ppe s SER 139 N -0.49 0.63 0.00 3.58 1.04 -1.21 -0.77 113.70 116.48 1ppe s SER 139 Ca 0.06 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1ppe s SER 139 Cb -0.12 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1ppe s SER 139 CO 0.01 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1ppe n GLY 140 N 0.37 0.36 1.72 7.32 0.00 -0.72 -4.39 105.19 109.84 1ppe n GLY 140 Ca -0.16 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 1ppe n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ppe n TRP 141 N -0.72 2.10 -2.32 1.61 8.01 -1.26 -2.16 117.44 122.69 1ppe n TRP 141 Ca 0.00 -1.46 -0.22 0.00 -1.31 0.00 0.00 57.50 54.51 1ppe n TRP 141 Cb 0.00 -0.67 0.13 0.00 -2.01 0.00 0.00 31.31 28.76 1ppe n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ppe n GLY 142 N -0.74 -0.00 3.61 6.99 0.00 -1.25 -4.33 105.19 109.46 1ppe n GLY 142 Ca 0.42 -1.92 -0.49 0.00 0.00 0.00 0.00 46.02 44.03 1ppe n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ppe n ASN 143 N -3.18 1.95 -1.06 1.61 2.85 0.09 -2.82 115.26 114.70 1ppe n ASN 143 Ca 0.14 1.12 0.12 0.00 -0.11 0.00 0.00 54.58 55.85 1ppe n ASN 143 Cb 0.51 -1.27 0.23 0.00 1.24 0.00 0.00 39.78 40.49 1ppe n ASN 143 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1ppe n THR 144 N 2.31 0.41 -4.39 -0.44 -2.24 -0.43 -1.52 114.28 107.97 1ppe n THR 144 Ca 0.16 -0.67 -0.32 0.00 -2.27 0.00 0.00 64.05 60.96 1ppe n THR 144 Cb 0.24 0.96 -0.10 0.00 -2.10 0.00 0.00 70.33 69.33 1ppe n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ppe s LYS 145 N -1.59 2.47 0.00 -0.78 -0.14 -1.26 -4.48 119.74 113.96 1ppe s LYS 145 Ca 0.37 -0.79 0.23 0.00 -1.36 0.00 0.00 55.97 54.42 1ppe s LYS 145 Cb 0.22 -2.47 0.04 0.00 -1.68 0.00 0.00 37.83 33.94 1ppe s LYS 145 CO 0.31 0.58 1.09 -1.13 -0.76 0.00 0.00 175.35 175.44 1ppe n SER 146 N 1.32 1.09 -3.93 2.83 3.41 -1.26 -4.55 113.62 112.52 1ppe n SER 146 Ca -0.15 -0.93 -0.24 0.00 -0.26 0.00 0.00 58.87 57.29 1ppe n SER 146 Cb 0.52 0.68 -0.17 0.00 -0.26 0.00 0.00 64.21 64.99 1ppe n SER 146 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ppe s SER 147 N -2.87 1.68 0.00 4.04 0.01 -1.26 -4.69 113.70 110.61 1ppe s SER 147 Ca 0.12 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1ppe s SER 147 Cb 0.17 -0.71 0.00 0.00 0.21 0.00 0.00 66.02 65.69 1ppe s SER 147 CO 0.75 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.96 1ppe n GLY 148 N 4.32 -2.13 2.84 3.44 0.00 -1.26 -4.94 105.19 107.46 1ppe n GLY 148 Ca -0.19 -1.86 -0.21 0.00 0.00 0.00 0.00 46.02 43.76 1ppe n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ppe s THR 149 N -0.17 0.45 -0.25 2.61 2.01 -1.26 -4.62 115.64 114.41 1ppe s THR 149 Ca 0.00 -0.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.95 1ppe s THR 149 Cb 0.00 -0.53 0.14 0.00 0.01 0.00 0.00 72.50 72.12 1ppe s THR 149 CO 0.00 0.23 0.44 -0.55 -0.69 0.00 0.00 174.62 174.05 1ppe s SER 150 N 1.29 -0.22 -0.22 3.53 0.15 -1.26 -4.92 113.70 112.04 1ppe s SER 150 Ca -0.05 0.56 -0.07 0.00 0.70 0.00 0.00 55.95 57.09 1ppe s SER 150 Cb -0.13 1.41 -0.03 0.00 -1.71 0.00 0.00 66.02 65.55 1ppe s SER 150 CO -0.02 -0.27 0.06 -0.31 1.20 0.00 0.00 173.24 173.90 1ppe s TYR 151 N 2.63 3.13 0.58 3.44 2.02 -1.26 -1.32 117.35 126.57 1ppe s TYR 151 Ca 0.11 -0.24 -0.08 0.00 -0.37 0.00 0.00 57.07 56.48 1ppe s TYR 151 Cb -0.15 -2.17 -0.02 0.00 -0.40 0.00 0.00 41.96 39.22 1ppe s TYR 151 CO -0.16 -0.17 0.93 -1.25 -1.57 0.00 0.00 175.55 173.33 1ppe s PRO 152 N 1.14 3.30 -0.03 -1.71 0.04 -1.26 -5.01 135.00 131.48 1ppe s PRO 152 Ca 0.04 0.34 -0.14 0.00 0.04 0.00 0.00 61.00 61.28 1ppe s PRO 152 Cb -0.14 -2.21 -0.32 0.00 0.04 0.00 0.00 34.50 31.86 1ppe s PRO 152 CO 0.03 -0.56 0.79 -0.44 0.04 0.00 0.00 177.00 176.87 1ppe h ASP 153 N -0.16 0.67 -3.08 6.66 5.19 -1.93 -3.47 116.42 120.29 1ppe h ASP 153 Ca -0.45 -0.93 -0.62 0.00 -0.62 0.00 0.00 57.03 54.41 1ppe h ASP 153 Cb 1.22 -0.22 -0.12 0.00 0.18 0.00 0.00 39.33 40.39 1ppe h ASP 153 CO 0.62 1.71 -0.67 0.68 -3.12 0.00 0.00 179.24 178.46 1ppe s VAL 154 N -2.56 3.69 0.15 -1.35 -7.23 -1.26 -1.08 120.40 110.77 1ppe s VAL 154 Ca -0.14 -1.33 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 1ppe s VAL 154 Cb 0.04 -2.82 -0.08 0.00 0.56 0.00 0.00 36.38 34.09 1ppe s VAL 154 CO 0.88 -0.03 1.30 -0.22 -0.31 0.00 0.00 175.10 176.71 1ppe s LEU 155 N -2.71 4.40 0.19 1.32 2.96 -1.24 -4.83 118.68 118.78 1ppe s LEU 155 Ca 0.26 2.30 0.07 0.00 -0.22 0.00 0.00 54.13 56.53 1ppe s LEU 155 Cb -0.10 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1ppe s LEU 155 CO 0.18 -0.53 0.07 -0.54 -1.32 0.00 0.00 176.35 174.21 1ppe s LYS 156 N 0.36 2.63 0.15 1.98 -0.14 -0.92 -2.26 119.74 121.55 1ppe s LYS 156 Ca 0.58 -1.05 0.07 0.00 -1.36 0.00 0.00 55.97 54.21 1ppe s LYS 156 Cb -0.35 -2.46 -0.04 0.00 -1.68 0.00 0.00 37.83 33.30 1ppe s LYS 156 CO 0.34 0.45 -0.16 0.00 -0.76 0.00 0.00 175.35 175.22 1ppe s LEU 158 N -2.68 0.30 -0.15 0.00 2.96 0.05 -1.66 118.68 117.50 1ppe s LEU 158 Ca 0.14 0.86 -0.07 0.00 -0.22 0.00 0.00 54.13 54.84 1ppe s LEU 158 Cb -0.04 1.42 -0.04 0.00 0.50 0.00 0.00 46.19 48.03 1ppe s LEU 158 CO 0.05 -0.16 0.08 -0.54 -1.32 0.00 0.00 176.35 174.46 1ppe s LYS 159 N 0.46 3.72 -0.11 1.98 1.02 -1.26 -1.18 119.74 124.37 1ppe s LYS 159 Ca -0.02 -0.29 -0.16 0.00 0.02 0.00 0.00 55.97 55.53 1ppe s LYS 159 Cb -0.04 -3.17 0.04 0.00 -0.52 0.00 0.00 37.83 34.14 1ppe s LYS 159 CO -0.02 0.47 0.41 0.00 -0.92 0.00 0.00 175.35 175.28 1ppe s ALA 160 N -0.17 -1.02 0.26 5.17 0.00 -0.22 -4.96 121.76 120.83 1ppe s ALA 160 Ca 0.08 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 52.89 1ppe s ALA 160 Cb -0.12 -0.44 -0.08 0.00 0.00 0.00 0.00 23.12 22.49 1ppe s ALA 160 CO 0.01 -0.23 0.61 -1.25 0.00 0.00 0.00 175.76 174.90 1ppe s PRO 161 N -0.28 3.87 0.14 0.00 0.04 -1.26 -0.94 135.00 136.56 1ppe s PRO 161 Ca -0.04 0.40 -0.31 0.00 0.04 0.00 0.00 61.00 61.09 1ppe s PRO 161 Cb -0.03 -2.58 -0.08 0.00 0.04 0.00 0.00 34.50 31.84 1ppe s PRO 161 CO 0.02 0.27 1.40 0.42 0.04 0.00 0.00 177.00 179.15 1ppe s ILE 162 N -1.87 3.17 0.40 0.56 1.01 -0.35 -1.63 121.20 122.50 1ppe s ILE 162 Ca 0.50 0.87 0.05 0.00 0.00 0.00 0.00 60.65 62.06 1ppe s ILE 162 Cb -0.11 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.81 1ppe s ILE 162 CO 0.20 0.08 0.57 -0.76 0.00 0.00 0.00 174.94 175.03 1ppe s LEU 163 N 0.79 3.75 0.81 2.97 1.43 0.07 -0.47 118.68 128.03 1ppe s LEU 163 Ca 0.63 -0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 53.49 1ppe s LEU 163 Cb -0.38 -2.82 0.08 0.00 0.03 0.00 0.00 46.19 43.10 1ppe s LEU 163 CO 0.33 -0.65 1.14 -0.94 0.23 0.00 0.00 176.35 176.45 1ppe s SER 164 N -4.26 3.88 0.43 2.29 1.04 -1.26 -4.60 113.70 111.23 1ppe s SER 164 Ca 0.50 2.09 0.14 0.00 0.48 0.00 0.00 55.95 59.15 1ppe s SER 164 Cb -0.10 -2.56 0.94 0.00 0.10 0.00 0.00 66.02 64.41 1ppe s SER 164 CO 0.34 -2.46 1.96 0.44 0.98 0.00 0.00 173.24 174.50 1ppe h ASP 165 N -1.14 0.02 0.30 7.02 5.19 -1.98 -1.67 116.42 124.16 1ppe h ASP 165 Ca -0.44 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.95 1ppe h ASP 165 Cb 1.26 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.77 1ppe h ASP 165 CO 0.47 0.23 -0.14 0.28 -3.12 0.00 0.00 179.24 176.96 1ppe h SER 166 N 0.02 -0.34 0.74 6.45 0.02 -1.99 0.14 113.55 118.59 1ppe h SER 166 Ca 0.00 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 1ppe h SER 166 Cb 0.37 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1ppe h SER 166 CO 0.03 -0.16 -0.29 0.77 -1.14 0.00 0.00 176.83 176.04 1ppe h SER 167 N -0.50 0.00 0.04 3.07 4.64 -1.81 -0.91 113.55 118.09 1ppe h SER 167 Ca -0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1ppe h SER 167 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1ppe h SER 167 CO 0.07 0.29 -0.02 0.00 -0.87 0.00 0.00 176.83 176.30 1ppe h LYS 169 N -0.59 0.10 0.00 0.00 1.57 -0.38 -0.44 116.57 116.83 1ppe h LYS 169 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ppe h LYS 169 Cb 0.53 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1ppe h LYS 169 CO 0.01 0.32 -0.01 0.66 -0.57 0.00 0.00 179.45 179.87 1ppe h SER 170 N 0.10 0.00 0.22 0.86 4.64 -0.89 -2.73 113.55 115.74 1ppe h SER 170 Ca 0.02 -0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.12 1ppe h SER 170 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1ppe h SER 170 CO 0.03 0.00 -0.87 0.00 -0.87 0.00 0.00 176.83 175.13 1ppe h ALA 171 N 2.34 0.41 -2.78 5.18 0.00 0.03 -3.38 119.26 121.05 1ppe h ALA 171 Ca 0.00 -0.66 -0.61 0.00 0.00 0.00 0.00 54.91 53.64 1ppe h ALA 171 Cb 0.83 -0.02 -0.41 0.00 0.00 0.00 0.00 17.79 18.19 1ppe h ALA 171 CO 0.00 0.77 -0.72 0.66 0.00 0.00 0.00 179.25 179.96 1ppe n TYR 172 N -3.81 1.85 -1.67 0.00 4.01 -0.64 -4.92 117.16 111.98 1ppe n TYR 172 Ca -0.06 -3.97 -0.43 0.00 -0.16 0.00 0.00 57.90 53.28 1ppe n TYR 172 Cb 0.79 -0.33 -0.03 0.00 -0.31 0.00 0.00 39.34 39.45 1ppe n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1ppe n PRO 173 N 2.16 2.72 0.00 -0.72 -0.02 -1.06 0.44 135.00 138.52 1ppe n PRO 173 Ca 0.24 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.71 1ppe n PRO 173 Cb 0.40 -2.91 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 1ppe n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ppe n GLY 174 N 4.42 3.03 0.27 -1.23 0.00 -1.26 -4.84 105.19 105.58 1ppe n GLY 174 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 1ppe n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ppe n GLN 175 N -1.06 1.74 -3.08 1.61 6.02 0.17 -4.96 117.38 117.83 1ppe n GLN 175 Ca 0.00 -0.60 -0.42 0.00 -0.01 0.00 0.00 57.00 55.97 1ppe n GLN 175 Cb 0.00 -1.26 -0.06 0.00 1.02 0.00 0.00 30.24 29.93 1ppe n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ppe s ILE 176 N -2.05 4.85 0.37 5.09 -1.09 -1.23 -5.05 121.20 122.09 1ppe s ILE 176 Ca 0.11 0.54 0.01 0.00 -2.23 0.00 0.00 60.65 59.09 1ppe s ILE 176 Cb 0.13 -4.13 0.07 0.00 -1.58 0.00 0.00 42.46 36.95 1ppe s ILE 176 CO 0.47 -0.39 0.51 0.35 -1.23 0.00 0.00 174.94 174.64 1ppe n THR 177 N 5.68 0.00 1.06 2.92 -2.24 -1.26 -4.97 114.28 115.47 1ppe n THR 177 Ca -0.01 -0.88 0.13 0.00 -2.27 0.00 0.00 64.05 61.03 1ppe n THR 177 Cb 0.48 -1.03 0.52 0.00 -2.10 0.00 0.00 70.33 68.20 1ppe n THR 177 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ppe n SER 178 N -2.88 0.19 -0.82 3.42 3.41 -1.26 -2.88 113.62 112.80 1ppe n SER 178 Ca 0.09 0.15 0.08 0.00 -0.26 0.00 0.00 58.87 58.92 1ppe n SER 178 Cb 0.31 -0.23 0.21 0.00 -0.26 0.00 0.00 64.21 64.24 1ppe n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ppe n ASN 179 N -1.44 2.37 -4.39 4.04 3.02 -1.26 -4.93 115.26 112.68 1ppe n ASN 179 Ca 0.08 -1.98 -0.22 0.00 -0.03 0.00 0.00 54.58 52.42 1ppe n ASN 179 Cb 0.33 -0.29 -0.11 0.00 -0.61 0.00 0.00 39.78 39.11 1ppe n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ppe s MET 180 N -1.43 1.43 0.08 3.52 -1.94 -1.14 -1.43 119.30 118.39 1ppe s MET 180 Ca 0.30 -1.56 -0.06 0.00 -1.71 0.00 0.00 55.69 52.65 1ppe s MET 180 Cb 0.16 -1.47 -0.01 0.00 2.01 0.00 0.00 34.83 35.51 1ppe s MET 180 CO 0.21 0.28 0.13 -0.59 -0.01 0.00 0.00 175.02 175.05 1ppe s PHE 181 N -2.34 0.28 -0.02 -0.03 -0.71 -0.28 -4.80 117.98 110.09 1ppe s PHE 181 Ca 0.22 -0.74 -0.07 0.00 -1.04 0.00 0.00 56.93 55.29 1ppe s PHE 181 Cb -0.05 -0.16 -0.05 0.00 -1.21 0.00 0.00 43.02 41.56 1ppe s PHE 181 CO 0.09 -0.51 0.25 0.00 -1.34 0.00 0.00 175.22 173.71 1ppe s ALA 183 N -1.22 -0.05 0.00 0.00 0.00 -1.06 -0.75 121.76 118.67 1ppe s ALA 183 Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1ppe s ALA 183 Cb -0.13 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1ppe s ALA 183 CO 0.13 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1ppe n GLY 184 N 2.38 0.45 2.79 0.00 0.00 -0.64 -3.17 105.19 107.00 1ppe n GLY 184 Ca -0.17 -1.78 -0.23 0.00 0.00 0.00 0.00 46.02 43.85 1ppe n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ppe s TYR 184 N -2.01 0.70 0.46 1.61 1.51 -1.26 -4.30 117.35 114.05 1ppe s TYR 184 Ca 0.00 -0.19 0.31 0.00 -1.01 0.00 0.00 57.07 56.18 1ppe s TYR 184 Cb 0.00 -0.79 1.65 0.00 -0.11 0.00 0.00 41.96 42.71 1ppe s TYR 184 CO 0.00 -0.31 2.14 -0.07 -1.11 0.00 0.00 175.55 176.20 1ppe h LEU 185 N 8.16 0.00 -1.97 -1.29 3.38 -1.96 -2.49 115.31 119.14 1ppe h LEU 185 Ca -0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1ppe h LEU 185 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1ppe h LEU 185 CO 0.30 0.07 -0.01 -0.08 0.09 0.00 0.00 178.44 178.81 1ppe h GLU 186 N 0.00 0.00 0.00 1.13 4.81 -1.95 0.32 114.58 118.89 1ppe h GLU 186 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ppe h GLU 186 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1ppe h GLU 186 CO 0.01 0.01 0.00 0.41 -0.73 0.00 0.00 179.01 178.71 1ppe n GLY 187 N -0.36 -1.81 3.24 1.92 0.00 -0.94 -4.55 105.19 102.70 1ppe n GLY 187 Ca -0.01 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1ppe n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ppe n GLY 188 N 0.00 2.85 2.90 -0.02 0.00 0.51 -4.87 105.19 106.56 1ppe n GLY 188 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1ppe n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ppe s LYS 188 N -0.10 0.06 0.02 1.61 1.02 -1.26 -3.91 119.74 117.18 1ppe s LYS 188 Ca 0.00 0.24 -0.29 0.00 0.02 0.00 0.00 55.97 55.94 1ppe s LYS 188 Cb 0.00 -0.12 0.11 0.00 -0.52 0.00 0.00 37.83 37.30 1ppe s LYS 188 CO 0.00 -0.12 1.23 0.34 -0.92 0.00 0.00 175.35 175.88 1ppe s ASP 189 N 0.78 -0.07 0.81 2.83 -1.08 -0.83 -4.40 116.67 114.71 1ppe s ASP 189 Ca -0.06 -0.21 -0.06 0.00 -0.52 0.00 0.00 52.55 51.71 1ppe s ASP 189 Cb -0.08 0.22 0.14 0.00 -1.46 0.00 0.00 42.92 41.74 1ppe s ASP 189 CO -0.03 -0.42 0.86 -1.54 0.52 0.00 0.00 175.17 174.56 1ppe n SER 190 N -0.57 0.59 -3.56 -0.34 3.41 -1.26 -0.74 113.62 111.15 1ppe n SER 190 Ca -0.07 -1.63 -0.01 0.00 -0.26 0.00 0.00 58.87 56.90 1ppe n SER 190 Cb 0.62 -0.61 0.01 0.00 -0.26 0.00 0.00 64.21 63.97 1ppe n SER 190 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ppe n GLN 192 N -0.72 1.51 -0.21 0.00 3.00 -1.26 -0.77 117.38 118.92 1ppe n GLN 192 Ca -0.02 0.55 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 1ppe n GLN 192 Cb 0.60 -2.24 0.00 0.00 0.00 0.00 0.00 30.24 28.59 1ppe n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ppe n GLY 193 N 3.00 0.61 0.02 1.08 0.00 -1.26 -0.73 105.19 107.92 1ppe n GLY 193 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1ppe n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ppe n ASP 194 N 0.00 0.51 -3.86 1.61 8.00 0.05 -3.81 116.55 119.05 1ppe n ASP 194 Ca 0.00 -0.27 -0.42 0.00 0.71 0.00 0.00 54.79 54.81 1ppe n ASP 194 Cb 0.00 1.22 -0.03 0.00 -0.02 0.00 0.00 41.12 42.29 1ppe n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ppe n SER 195 N -2.01 -1.15 0.00 -2.24 7.64 -1.26 -2.19 113.62 112.41 1ppe n SER 195 Ca 0.00 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1ppe n SER 195 Cb 0.47 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1ppe n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ppe n GLY 196 N 1.77 1.72 3.93 0.23 0.00 -0.34 0.60 105.19 113.09 1ppe n GLY 196 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1ppe n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ppe s GLY 197 N -2.08 1.74 0.45 -0.02 0.00 -0.93 -3.29 107.32 103.20 1ppe s GLY 197 Ca 0.00 -1.14 -0.19 0.00 0.00 0.00 0.00 44.72 43.39 1ppe s GLY 197 CO 0.00 -0.47 0.95 2.56 0.00 0.00 0.00 173.10 176.15 1ppe s PRO 198 N -5.71 4.14 -0.25 2.90 0.04 -1.26 -1.01 135.00 133.86 1ppe s PRO 198 Ca 0.70 1.05 0.01 0.00 0.04 0.00 0.00 61.00 62.80 1ppe s PRO 198 Cb -0.06 -2.18 0.06 0.00 0.04 0.00 0.00 34.50 32.37 1ppe s PRO 198 CO 0.51 -0.09 -0.05 0.08 0.04 0.00 0.00 177.00 177.49 1ppe s VAL 199 N -2.30 1.62 -0.16 -0.36 1.01 -0.58 -3.35 120.40 116.28 1ppe s VAL 199 Ca 0.61 -1.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1ppe s VAL 199 Cb -0.09 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1ppe s VAL 199 CO 0.19 -0.15 -0.13 -0.69 0.00 0.00 0.00 175.10 174.32 1ppe s VAL 200 N 1.34 2.93 -0.11 2.92 1.01 0.14 -1.46 120.40 127.18 1ppe s VAL 200 Ca -0.05 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1ppe s VAL 200 Cb -0.19 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 33.97 1ppe s VAL 200 CO -0.07 0.50 -0.03 0.00 0.00 0.00 0.00 175.10 175.51 1ppe n SER 202 N 5.04 -5.81 0.00 0.00 7.64 -1.26 -1.10 113.62 118.13 1ppe n SER 202 Ca -0.10 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.18 1ppe n SER 202 Cb 0.49 -4.76 0.00 0.00 -1.01 0.00 0.00 64.21 58.93 1ppe n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ppe n GLY 203 N -1.90 0.61 3.60 0.23 0.00 -1.26 -5.01 105.19 101.45 1ppe n GLY 203 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1ppe n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ppe s LYS 204 N -0.26 2.20 -0.79 1.61 -0.14 -0.26 -4.10 119.74 118.00 1ppe s LYS 204 Ca 0.00 -1.02 -0.26 0.00 -1.36 0.00 0.00 55.97 53.33 1ppe s LYS 204 Cb 0.00 -2.33 0.02 0.00 -1.68 0.00 0.00 37.83 33.83 1ppe s LYS 204 CO 0.00 0.50 1.51 -1.17 -0.76 0.00 0.00 175.35 175.43 1ppe s LEU 209 N -2.33 3.27 0.08 3.17 2.96 0.25 -1.89 118.68 124.18 1ppe s LEU 209 Ca 0.23 -0.54 0.10 0.00 -0.22 0.00 0.00 54.13 53.69 1ppe s LEU 209 Cb -0.11 -2.56 -0.19 0.00 0.50 0.00 0.00 46.19 43.83 1ppe s LEU 209 CO 0.15 -1.97 1.07 1.56 -1.32 0.00 0.00 176.35 175.84 1ppe h GLN 210 N 11.11 0.00 -4.46 1.98 1.08 -1.57 -3.38 115.11 119.88 1ppe h GLN 210 Ca -0.13 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.85 1ppe h GLN 210 Cb 1.06 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.30 1ppe h GLN 210 CO 1.30 0.76 -0.71 0.20 -0.95 0.00 0.00 178.83 179.43 1ppe s GLY 211 N -4.83 0.54 -0.11 3.46 0.00 -0.99 -1.71 107.32 103.68 1ppe s GLY 211 Ca -0.01 -0.97 0.03 0.00 0.00 0.00 0.00 44.72 43.78 1ppe s GLY 211 CO 0.82 -1.05 -0.23 -0.42 0.00 0.00 0.00 173.10 172.22 1ppe s ILE 212 N -2.38 2.06 -0.10 0.90 1.01 -0.91 -1.53 121.20 120.25 1ppe s ILE 212 Ca -0.02 -1.00 -0.35 0.00 0.00 0.00 0.00 60.65 59.27 1ppe s ILE 212 Cb -0.03 -1.79 -0.13 0.00 0.01 0.00 0.00 42.46 40.52 1ppe s ILE 212 CO -0.03 0.56 1.83 0.52 0.00 0.00 0.00 174.94 177.82 1ppe n VAL 213 N 3.72 0.49 0.03 2.92 0.31 -0.18 -1.11 118.33 124.51 1ppe n VAL 213 Ca -0.19 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1ppe n VAL 213 Cb 0.52 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 1ppe n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ppe n SER 214 N 6.15 0.38 -3.39 4.52 2.88 -0.84 -1.20 113.62 122.12 1ppe n SER 214 Ca 0.23 0.09 -0.10 0.00 -1.33 0.00 0.00 58.87 57.76 1ppe n SER 214 Cb 0.27 -0.08 -0.01 0.00 -0.75 0.00 0.00 64.21 63.63 1ppe n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1ppe s TRP 215 N -1.44 0.31 -0.04 0.66 1.48 -0.63 -4.91 118.94 114.37 1ppe s TRP 215 Ca 0.00 -0.79 -0.31 0.00 -1.06 0.00 0.00 56.10 53.94 1ppe s TRP 215 Cb 0.00 0.49 0.13 0.00 -1.16 0.00 0.00 33.47 32.93 1ppe s TRP 215 CO 0.00 -1.30 1.34 0.20 -4.06 0.00 0.00 176.95 173.13 1ppe s GLY 216 N -3.07 -0.44 -0.44 3.67 0.00 -1.26 -0.63 107.32 105.15 1ppe s GLY 216 Ca 0.19 0.77 -0.11 0.00 0.00 0.00 0.00 44.72 45.57 1ppe s GLY 216 CO 0.12 0.30 0.32 -0.45 0.00 0.00 0.00 173.10 173.38 1ppe s SER 217 N -3.01 5.81 0.52 1.64 0.15 -1.26 -4.95 113.70 112.59 1ppe s SER 217 Ca 0.15 -1.51 0.00 0.00 0.70 0.00 0.00 55.95 55.29 1ppe s SER 217 Cb 0.06 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 1ppe s SER 217 CO -0.05 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.40 1ppe n GLY 219 N 5.01 0.35 2.85 9.45 0.00 -1.26 -4.65 105.19 116.94 1ppe n GLY 219 Ca -0.11 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1ppe n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ppe n ALA 221 N 3.67 -0.34 -1.85 0.00 0.00 -1.26 -4.65 120.51 116.08 1ppe n ALA 221 Ca -0.20 0.31 -0.39 0.00 0.00 0.00 0.00 53.44 53.16 1ppe n ALA 221 Cb 0.55 -2.03 -0.06 0.00 0.00 0.00 0.00 19.45 17.91 1ppe n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ppe s GLN 221 N -3.85 4.64 0.27 0.00 1.11 -1.26 -0.36 119.66 120.20 1ppe s GLN 221 Ca 0.00 1.29 -0.30 0.00 0.01 0.00 0.00 55.36 56.36 1ppe s GLN 221 Cb 0.00 -3.09 -0.13 0.00 -1.01 0.00 0.00 33.01 28.78 1ppe s GLN 221 CO 0.00 0.45 1.41 1.17 0.01 0.00 0.00 175.29 178.32 1ppe n LYS 222 N 1.15 2.15 -1.39 2.91 4.81 -1.26 -1.85 118.16 124.67 1ppe n LYS 222 Ca -0.02 0.76 -0.14 0.00 -0.87 0.00 0.00 58.31 58.05 1ppe n LYS 222 Cb 0.49 -2.42 -0.06 0.00 0.02 0.00 0.00 35.03 33.06 1ppe n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ppe n ASN 223 N 1.83 -5.37 -3.47 3.14 3.02 0.11 -4.89 115.26 109.64 1ppe n ASN 223 Ca 0.10 0.33 -0.27 0.00 -0.03 0.00 0.00 54.58 54.71 1ppe n ASN 223 Cb 0.33 -4.06 -0.10 0.00 -0.61 0.00 0.00 39.78 35.34 1ppe n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ppe n LYS 224 N -1.61 0.71 -1.51 3.52 4.76 -0.77 -4.79 118.16 118.46 1ppe n LYS 224 Ca -0.14 -3.52 -0.30 0.00 -2.87 0.00 0.00 58.31 51.49 1ppe n LYS 224 Cb 0.57 -1.76 0.11 0.00 -1.84 0.00 0.00 35.03 32.11 1ppe n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1ppe s PRO 225 N -0.56 1.71 0.63 1.97 0.04 -1.26 -4.25 135.00 133.28 1ppe s PRO 225 Ca 0.32 0.55 -0.15 0.00 0.04 0.00 0.00 61.00 61.75 1ppe s PRO 225 Cb 0.05 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 1ppe s PRO 225 CO -0.17 -1.86 1.09 0.20 0.04 0.00 0.00 177.00 176.30 1ppe s GLY 226 N -3.90 2.15 -0.10 0.56 0.00 -1.19 -4.65 107.32 100.20 1ppe s GLY 226 Ca 0.62 0.49 0.04 0.00 0.00 0.00 0.00 44.72 45.86 1ppe s GLY 226 CO 0.54 0.83 -0.23 0.14 0.00 0.00 0.00 173.10 174.38 1ppe s VAL 227 N -2.37 1.95 0.01 1.40 1.01 0.20 -2.57 120.40 120.03 1ppe s VAL 227 Ca 0.66 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.75 1ppe s VAL 227 Cb -0.19 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 1ppe s VAL 227 CO 0.39 0.54 -0.21 -0.31 0.00 0.00 0.00 175.10 175.51 1ppe s TYR 228 N 0.42 1.90 0.18 5.22 2.02 -0.57 -1.60 117.35 124.91 1ppe s TYR 228 Ca -0.18 -0.37 -0.30 0.00 -0.37 0.00 0.00 57.07 55.85 1ppe s TYR 228 Cb -0.18 -1.19 -0.08 0.00 -0.40 0.00 0.00 41.96 40.11 1ppe s TYR 228 CO 0.08 0.02 1.30 0.99 -1.57 0.00 0.00 175.55 176.37 1ppe s THR 229 N -0.62 3.31 -1.17 -0.71 2.01 -0.27 -1.13 115.64 117.07 1ppe s THR 229 Ca 0.08 1.05 -0.20 0.00 0.31 0.00 0.00 61.69 62.93 1ppe s THR 229 Cb -0.08 -3.67 0.07 0.00 0.01 0.00 0.00 72.50 68.82 1ppe s THR 229 CO 0.00 0.14 1.58 -0.75 -0.69 0.00 0.00 174.62 174.91 1ppe s LYS 230 N 0.14 3.82 0.49 4.92 2.20 -0.52 -2.13 119.74 128.66 1ppe s LYS 230 Ca 0.58 -1.67 0.24 0.00 -0.36 0.00 0.00 55.97 54.76 1ppe s LYS 230 Cb -0.36 -5.42 1.31 0.00 -1.51 0.00 0.00 37.83 31.85 1ppe s LYS 230 CO 0.36 -2.19 1.92 0.28 -0.36 0.00 0.00 175.35 175.36 1ppe h VAL 231 N 6.03 0.67 0.00 4.02 2.07 -1.63 -2.46 116.25 124.95 1ppe h VAL 231 Ca 0.33 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.80 1ppe h VAL 231 Cb 0.93 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1ppe h VAL 231 CO 1.42 0.03 0.00 0.00 0.02 0.00 0.00 177.57 179.04 1ppe n ASN 233 N -2.77 0.00 0.00 0.00 3.02 -0.93 -3.89 115.26 110.69 1ppe n ASN 233 Ca 0.00 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1ppe n ASN 233 Cb 0.22 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 1ppe n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ppe n TYR 234 N -1.34 0.00 -0.02 3.10 4.01 0.14 -4.83 117.16 118.21 1ppe n TYR 234 Ca 0.12 -0.18 0.05 0.00 -0.16 0.00 0.00 57.90 57.73 1ppe n TYR 234 Cb 0.27 -0.02 0.44 0.00 -0.31 0.00 0.00 39.34 39.71 1ppe n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1ppe h VAL 235 N 0.13 1.07 0.27 -0.72 2.07 -1.66 -0.99 116.25 116.43 1ppe h VAL 235 Ca 0.00 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1ppe h VAL 235 Cb 0.23 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1ppe h VAL 235 CO 0.00 0.10 -0.13 0.28 0.02 0.00 0.00 177.57 177.84 1ppe h SER 236 N 0.54 -0.31 -0.87 0.57 0.02 -1.89 -1.02 113.55 110.59 1ppe h SER 236 Ca 0.17 -0.20 0.17 0.00 -0.84 0.00 0.00 61.79 61.09 1ppe h SER 236 Cb 0.04 0.08 -0.10 0.00 0.14 0.00 0.00 62.40 62.55 1ppe h SER 236 CO -0.04 0.07 0.42 -0.25 -1.14 0.00 0.00 176.83 175.89 1ppe h TRP 237 N -0.73 0.73 0.04 3.45 7.01 -1.86 0.36 115.95 124.95 1ppe h TRP 237 Ca -0.04 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 1ppe h TRP 237 Cb 0.49 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.36 1ppe h TRP 237 CO 0.03 0.10 -0.02 0.82 -2.79 0.00 0.00 178.44 176.58 1ppe h ILE 238 N 0.55 1.18 0.00 2.65 2.04 -1.08 -0.49 117.51 122.35 1ppe h ILE 238 Ca 0.50 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 1ppe h ILE 238 Cb 0.79 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1ppe h ILE 238 CO -0.42 0.18 -0.29 0.11 0.00 0.00 0.00 178.15 177.74 1ppe h LYS 239 N -0.38 0.00 0.78 2.37 1.57 -0.38 -1.92 116.57 118.60 1ppe h LYS 239 Ca -0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1ppe h LYS 239 Cb 0.34 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.66 1ppe h LYS 239 CO 0.01 0.29 -0.37 0.37 -0.57 0.00 0.00 179.45 179.17 1ppe h GLN 240 N 0.00 -1.00 -0.43 3.15 -0.00 -0.19 -2.44 115.11 114.20 1ppe h GLN 240 Ca -0.00 0.07 0.06 0.00 -0.00 0.00 0.00 58.65 58.78 1ppe h GLN 240 Cb 0.57 0.23 -0.05 0.00 0.00 0.00 0.00 27.48 28.22 1ppe h GLN 240 CO 0.04 -0.67 0.12 1.15 0.00 0.00 0.00 178.83 179.47 1ppe h THR 241 N -1.09 0.82 -0.81 2.39 2.02 -0.75 -1.17 112.91 114.32 1ppe h THR 241 Ca -0.11 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 67.00 1ppe h THR 241 Cb 0.80 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 1ppe h THR 241 CO 0.17 0.05 0.53 0.40 0.37 0.00 0.00 175.52 177.05 1ppe h ILE 242 N 0.27 1.18 -0.00 3.11 2.04 -1.44 -2.28 117.51 120.39 1ppe h ILE 242 Ca 0.21 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1ppe h ILE 242 Cb 0.23 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1ppe h ILE 242 CO -0.24 0.20 -0.42 0.00 0.00 0.00 0.00 178.15 177.69 1ppe n ALA 243 N -2.33 3.40 -0.03 1.87 0.00 -0.92 -3.87 120.51 118.64 1ppe n ALA 243 Ca 0.09 -0.39 0.09 0.00 0.00 0.00 0.00 53.44 53.24 1ppe n ALA 243 Cb 0.04 -1.11 0.21 0.00 0.00 0.00 0.00 19.45 18.59 1ppe n ALA 243 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ppe n SER 244 N -1.13 3.31 0.00 0.00 7.64 -0.48 -5.10 113.62 117.87 1ppe n SER 244 Ca 0.08 -1.94 0.00 0.00 1.01 0.00 0.00 58.87 58.02 1ppe n SER 244 Cb 0.34 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1ppe n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62