#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t31 s ILE 17 N 0.00 5.11 -1.36 1.39 -1.09 0.13 -4.09 121.20 121.30 1t31 s ILE 17 Ca 0.00 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.50 1t31 s ILE 17 Cb 0.00 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 1t31 s ILE 17 CO 0.00 0.42 0.00 0.61 -1.23 0.00 0.00 174.94 174.74 1t31 n GLY 18 N 3.74 0.23 0.00 6.18 0.00 -1.26 -1.79 105.19 112.28 1t31 n GLY 18 Ca -0.16 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1t31 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t31 n GLY 19 N -1.05 2.07 3.31 -0.02 0.00 -1.26 -4.86 105.19 103.39 1t31 n GLY 19 Ca -0.17 -2.12 -0.20 0.00 0.00 0.00 0.00 46.02 43.53 1t31 n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t31 s THR 20 N 1.06 1.68 0.21 2.61 -4.23 0.14 -4.90 115.64 112.23 1t31 s THR 20 Ca 0.00 -1.93 -0.30 0.00 -1.18 0.00 0.00 61.69 58.28 1t31 s THR 20 Cb 0.00 -1.81 -0.09 0.00 1.34 0.00 0.00 72.50 71.94 1t31 s THR 20 CO 0.00 -0.40 1.37 -0.70 -0.54 0.00 0.00 174.62 174.35 1t31 s GLU 21 N -2.94 4.33 0.70 3.99 2.12 -1.26 -0.91 118.70 124.73 1t31 s GLU 21 Ca 0.15 2.16 -0.13 0.00 0.36 0.00 0.00 54.97 57.51 1t31 s GLU 21 Cb -0.04 -3.16 0.02 0.00 0.26 0.00 0.00 34.13 31.20 1t31 s GLU 21 CO 0.06 -0.34 1.10 0.00 -0.54 0.00 0.00 175.26 175.54 1t31 s LYS 23 N -4.43 4.34 0.08 0.00 2.20 -1.26 -4.90 119.74 115.78 1t31 s LYS 23 Ca 0.64 1.78 -0.37 0.00 -0.36 0.00 0.00 55.97 57.67 1t31 s LYS 23 Cb -0.19 -3.53 -0.18 0.00 -1.51 0.00 0.00 37.83 32.43 1t31 s LYS 23 CO 0.47 -0.46 1.17 -2.30 -0.36 0.00 0.00 175.35 173.87 1t31 n PRO 24 N 5.06 0.71 -1.25 4.03 -0.02 -1.26 -1.56 135.00 140.72 1t31 n PRO 24 Ca 0.11 0.26 -0.09 0.00 -2.02 0.00 0.00 63.50 61.76 1t31 n PRO 24 Cb 0.45 -1.79 -0.04 0.00 -0.02 0.00 0.00 33.50 32.11 1t31 n PRO 24 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1t31 n HIS 25 N 1.85 0.00 1.13 6.00 8.25 -1.26 -4.89 115.22 126.30 1t31 n HIS 25 Ca 0.18 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.78 1t31 n HIS 25 Cb 0.17 -1.93 0.50 0.00 1.12 0.00 0.00 29.99 29.85 1t31 n HIS 25 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1t31 n SER 26 N -0.18 0.32 -3.27 0.41 3.41 -0.60 -4.05 113.62 109.66 1t31 n SER 26 Ca -0.09 -0.10 -0.25 0.00 -0.26 0.00 0.00 58.87 58.17 1t31 n SER 26 Cb 0.37 -0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 64.13 1t31 n SER 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1t31 n ARG 27 N -1.31 1.39 0.09 4.33 1.74 -1.26 -4.98 116.66 116.66 1t31 n ARG 27 Ca 0.09 -3.76 0.05 0.00 -0.77 0.00 0.00 57.85 53.46 1t31 n ARG 27 Cb 0.32 -1.60 0.27 0.00 -1.02 0.00 0.00 32.46 30.43 1t31 n ARG 27 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1t31 n PRO 28 N 1.18 0.06 0.03 5.56 -0.04 -1.26 -1.82 135.00 138.72 1t31 n PRO 28 Ca 0.24 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.34 1t31 n PRO 28 Cb 0.49 -1.82 0.19 0.00 -0.04 0.00 0.00 33.50 32.31 1t31 n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1t31 n TYR 29 N -1.83 0.30 -1.86 0.54 0.18 -1.22 -1.44 117.16 111.83 1t31 n TYR 29 Ca -0.01 0.09 -0.42 0.00 1.88 0.00 0.00 57.90 59.44 1t31 n TYR 29 Cb 0.13 -0.48 -0.02 0.00 -0.38 0.00 0.00 39.34 38.59 1t31 n TYR 29 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 1t31 s MET 30 N -3.11 4.18 -0.05 -3.48 -1.94 -0.76 -1.24 119.30 112.91 1t31 s MET 30 Ca 0.08 2.46 0.06 0.00 -1.71 0.00 0.00 55.69 56.58 1t31 s MET 30 Cb 0.15 -3.09 -0.01 0.00 2.01 0.00 0.00 34.83 33.89 1t31 s MET 30 CO 0.72 -0.61 -0.24 0.00 -0.01 0.00 0.00 175.02 174.88 1t31 s ALA 31 N 0.61 2.10 -0.22 3.03 0.00 0.86 -4.38 121.76 123.76 1t31 s ALA 31 Ca 0.67 -1.03 -0.09 0.00 0.00 0.00 0.00 51.96 51.51 1t31 s ALA 31 Cb -0.46 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 1t31 s ALA 31 CO 0.38 0.43 0.11 -0.47 0.00 0.00 0.00 175.76 176.21 1t31 s TYR 32 N -0.23 3.27 -0.18 0.00 5.04 -0.77 -1.79 117.35 122.68 1t31 s TYR 32 Ca -0.01 0.09 -0.04 0.00 -2.44 0.00 0.00 57.07 54.68 1t31 s TYR 32 Cb -0.13 -2.20 -0.02 0.00 0.35 0.00 0.00 41.96 39.96 1t31 s TYR 32 CO 0.03 0.05 -0.04 -0.51 -1.34 0.00 0.00 175.55 173.74 1t31 s LEU 33 N 0.87 3.11 -0.33 6.97 1.02 0.22 -1.05 118.68 129.50 1t31 s LEU 33 Ca 0.06 -0.23 -0.08 0.00 0.02 0.00 0.00 54.13 53.90 1t31 s LEU 33 Cb -0.13 -1.77 0.02 0.00 0.02 0.00 0.00 46.19 44.33 1t31 s LEU 33 CO 0.03 0.09 0.12 -0.70 0.02 0.00 0.00 176.35 175.91 1t31 s GLU 34 N 0.80 2.88 -0.15 1.70 2.12 -0.43 -1.95 118.70 123.67 1t31 s GLU 34 Ca -0.01 -1.01 -0.05 0.00 0.36 0.00 0.00 54.97 54.26 1t31 s GLU 34 Cb -0.15 -3.48 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 1t31 s GLU 34 CO 0.02 -0.57 0.02 0.42 -0.54 0.00 0.00 175.26 174.60 1t31 s ILE 35 N 1.48 4.39 -0.31 -3.70 1.01 0.14 -1.75 121.20 122.46 1t31 s ILE 35 Ca 0.01 -0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.37 1t31 s ILE 35 Cb -0.18 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 1t31 s ILE 35 CO 0.04 0.51 0.17 -0.69 0.00 0.00 0.00 174.94 174.97 1t31 s VAL 36 N 0.01 4.80 0.10 2.92 1.01 -0.28 -0.92 120.40 128.06 1t31 s VAL 36 Ca 0.03 -0.29 -0.25 0.00 0.00 0.00 0.00 61.98 61.47 1t31 s VAL 36 Cb -0.13 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.77 1t31 s VAL 36 CO 0.02 0.09 0.78 0.42 0.00 0.00 0.00 175.10 176.41 1t31 s THR 36 N 1.65 4.55 -0.86 3.92 -4.23 -1.26 -1.11 115.64 118.31 1t31 s THR 36 Ca 0.05 1.69 0.00 0.00 -1.18 0.00 0.00 61.69 62.25 1t31 s THR 36 Cb -0.17 -4.14 0.00 0.00 1.34 0.00 0.00 72.50 69.53 1t31 s THR 36 CO 0.07 0.43 0.00 -1.20 -0.54 0.00 0.00 174.62 173.39 1t31 n SER 36 N 2.25 0.00 0.00 3.99 7.64 -1.26 -3.18 113.62 123.07 1t31 n SER 36 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1t31 n SER 36 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1t31 n SER 36 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1t31 n ASN 36 N -0.05 0.00 0.00 6.43 6.94 -1.26 -5.09 115.26 122.23 1t31 n ASN 36 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1t31 n ASN 36 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1t31 n ASN 36 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1t31 n GLY 37 N -0.18 5.47 3.63 4.83 0.00 -1.19 -5.14 105.19 112.61 1t31 n GLY 37 Ca 0.00 -1.36 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 1t31 n GLY 37 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1t31 n PRO 38 N 0.00 -0.61 -1.81 1.61 -0.04 -1.26 -4.44 135.00 128.45 1t31 n PRO 38 Ca 0.00 -0.12 -0.29 0.00 -0.04 0.00 0.00 63.50 63.05 1t31 n PRO 38 Cb 0.00 -2.31 0.09 0.00 -0.04 0.00 0.00 33.50 31.25 1t31 n PRO 38 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1t31 s SER 39 N -2.55 4.43 0.22 3.54 1.04 -1.26 -4.20 113.70 114.92 1t31 s SER 39 Ca 0.66 0.88 -0.12 0.00 0.48 0.00 0.00 55.95 57.85 1t31 s SER 39 Cb -0.23 -1.44 -0.00 0.00 0.10 0.00 0.00 66.02 64.45 1t31 s SER 39 CO 0.60 -1.96 0.44 -1.59 0.98 0.00 0.00 173.24 171.70 1t31 s LYS 40 N -5.47 1.43 0.17 4.02 -2.85 -0.09 -4.98 119.74 111.96 1t31 s LYS 40 Ca 0.62 -1.19 0.04 0.00 -1.00 0.00 0.00 55.97 54.44 1t31 s LYS 40 Cb -0.12 0.45 -0.05 0.00 -2.06 0.00 0.00 37.83 36.06 1t31 s LYS 40 CO 0.50 -0.58 -0.08 -0.59 0.10 0.00 0.00 175.35 174.70 1t31 s PHE 41 N -3.99 1.33 0.24 1.78 -0.71 -1.26 0.25 117.98 115.62 1t31 s PHE 41 Ca 0.20 -0.80 -0.13 0.00 -1.04 0.00 0.00 56.93 55.16 1t31 s PHE 41 Cb 0.00 -0.70 -0.00 0.00 -1.21 0.00 0.00 43.02 41.11 1t31 s PHE 41 CO 0.06 0.05 0.47 0.00 -1.34 0.00 0.00 175.22 174.46 1t31 n GLY 43 N -0.36 2.12 0.00 0.00 0.00 0.13 -0.61 105.19 106.47 1t31 n GLY 43 Ca -0.03 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.79 1t31 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t31 n GLY 44 N 0.45 -0.24 3.18 -0.02 0.00 -0.74 -3.87 105.19 103.95 1t31 n GLY 44 Ca 0.08 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1t31 n GLY 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1t31 s PHE 45 N -2.00 -0.17 -0.27 1.61 -0.71 -0.61 -0.10 117.98 115.73 1t31 s PHE 45 Ca 0.00 0.34 -0.29 0.00 -1.04 0.00 0.00 56.93 55.94 1t31 s PHE 45 Cb 0.00 0.07 -0.00 0.00 -1.21 0.00 0.00 43.02 41.87 1t31 s PHE 45 CO 0.00 -0.28 1.30 -1.17 -1.34 0.00 0.00 175.22 173.73 1t31 s LEU 46 N -0.81 3.95 -0.02 -1.99 2.96 -0.37 -0.75 118.68 121.65 1t31 s LEU 46 Ca -0.09 1.33 0.19 0.00 -0.22 0.00 0.00 54.13 55.34 1t31 s LEU 46 Cb -0.05 -3.54 -0.27 0.00 0.50 0.00 0.00 46.19 42.83 1t31 s LEU 46 CO 0.02 -1.01 0.52 2.30 -1.32 0.00 0.00 176.35 176.86 1t31 n ILE 47 N 6.02 0.00 -3.81 6.68 -5.35 -0.77 -1.11 119.36 121.03 1t31 n ILE 47 Ca 0.15 -0.34 -0.09 0.00 -0.27 0.00 0.00 62.75 62.19 1t31 n ILE 47 Cb 0.46 0.31 -0.07 0.00 -1.74 0.00 0.00 39.64 38.60 1t31 n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1t31 s ARG 48 N -3.18 0.87 0.54 6.28 1.81 -1.15 -4.53 118.95 119.60 1t31 s ARG 48 Ca -0.03 -0.84 0.28 0.00 -1.72 0.00 0.00 55.73 53.41 1t31 s ARG 48 Cb 0.13 0.36 1.45 0.00 -0.45 0.00 0.00 34.95 36.44 1t31 s ARG 48 CO 0.79 -0.29 1.95 0.00 -0.68 0.00 0.00 175.30 177.07 1t31 h ARG 49 N 2.78 0.00 0.00 3.54 3.08 -1.93 -2.19 114.38 119.66 1t31 h ARG 49 Ca -0.34 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 1t31 h ARG 49 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1t31 h ARG 49 CO 0.53 0.00 -0.20 0.27 -1.07 0.00 0.00 179.97 179.50 1t31 n ASN 50 N -4.21 1.95 -3.85 7.04 6.94 -1.26 -0.57 115.26 121.29 1t31 n ASN 50 Ca 0.12 -3.16 -0.15 0.00 -0.02 0.00 0.00 54.58 51.37 1t31 n ASN 50 Cb 0.71 -0.43 -0.15 0.00 -2.36 0.00 0.00 39.78 37.55 1t31 n ASN 50 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1t31 s PHE 51 N -2.62 0.18 -0.05 -2.53 0.08 -0.83 -0.40 117.98 111.81 1t31 s PHE 51 Ca 0.31 0.01 0.05 0.00 0.12 0.00 0.00 56.93 57.42 1t31 s PHE 51 Cb 0.28 -0.21 -0.01 0.00 -0.57 0.00 0.00 43.02 42.52 1t31 s PHE 51 CO -0.00 -0.05 -0.20 0.08 -0.10 0.00 0.00 175.22 174.94 1t31 s VAL 52 N 0.45 1.69 -0.12 -0.44 1.01 -0.25 -1.84 120.40 120.90 1t31 s VAL 52 Ca -0.04 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 1t31 s VAL 52 Cb -0.06 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1t31 s VAL 52 CO -0.01 0.48 0.13 -0.22 0.00 0.00 0.00 175.10 175.48 1t31 s LEU 53 N -0.04 4.33 0.00 3.92 2.96 0.07 -0.64 118.68 129.27 1t31 s LEU 53 Ca -0.04 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1t31 s LEU 53 Cb -0.12 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.51 1t31 s LEU 53 CO 0.03 0.39 0.00 1.07 -1.32 0.00 0.00 176.35 176.52 1t31 n THR 54 N 2.12 0.00 -3.50 3.68 5.66 -0.19 -1.57 114.28 120.47 1t31 n THR 54 Ca -0.20 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.43 1t31 n THR 54 Cb 0.55 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.27 1t31 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1t31 s ALA 55 N -1.08 3.68 0.51 1.79 0.00 -1.26 -0.78 121.76 124.61 1t31 s ALA 55 Ca 0.00 -0.24 0.16 0.00 0.00 0.00 0.00 51.96 51.88 1t31 s ALA 55 Cb 0.00 -2.39 1.23 0.00 0.00 0.00 0.00 23.12 21.96 1t31 s ALA 55 CO 0.00 0.43 2.12 0.00 0.00 0.00 0.00 175.76 178.31 1t31 h ALA 56 N 4.97 2.02 0.00 0.00 0.00 -1.66 -0.96 119.26 123.63 1t31 h ALA 56 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1t31 h ALA 56 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1t31 h ALA 56 CO 0.63 -0.05 0.00 -2.39 0.00 0.00 0.00 179.25 177.44 1t31 n HIS 57 N -4.51 0.00 1.42 0.00 1.44 -1.26 -2.03 115.22 110.27 1t31 n HIS 57 Ca -0.01 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.84 1t31 n HIS 57 Cb 0.15 -0.31 0.47 0.00 0.12 0.00 0.00 29.99 30.42 1t31 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1t31 n ALA 59 N -0.01 -0.37 -3.14 0.00 0.00 -0.86 -4.92 120.51 111.22 1t31 n ALA 59 Ca 0.17 -0.42 0.01 0.00 0.00 0.00 0.00 53.44 53.20 1t31 n ALA 59 Cb 0.36 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1t31 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t31 n GLY 60 N 0.46 1.37 0.15 0.00 0.00 -1.26 -5.00 105.19 100.91 1t31 n GLY 60 Ca 0.13 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 1t31 n GLY 60 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1t31 h ARG 61 N 0.00 0.44 -3.49 1.61 1.12 -1.45 -3.46 114.38 109.15 1t31 h ARG 61 Ca -0.05 -0.11 -0.11 0.00 -1.11 0.00 0.00 59.98 58.60 1t31 h ARG 61 Cb 0.19 -0.05 -0.17 0.00 -0.01 0.00 0.00 29.97 29.92 1t31 h ARG 61 CO 0.06 0.54 -0.37 -1.54 -3.11 0.00 0.00 179.97 175.55 1t31 s SER 63 N -5.84 -0.00 -0.04 -3.80 1.04 -1.15 -5.01 113.70 98.90 1t31 s SER 63 Ca -0.14 -0.31 -0.03 0.00 0.48 0.00 0.00 55.95 55.95 1t31 s SER 63 Cb 0.08 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.51 1t31 s SER 63 CO 0.74 -0.56 0.11 -0.63 0.98 0.00 0.00 173.24 173.88 1t31 s ILE 64 N -2.47 -0.01 -0.09 -1.02 1.01 -1.26 -1.12 121.20 116.24 1t31 s ILE 64 Ca -0.06 0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.65 1t31 s ILE 64 Cb -0.01 -0.16 -0.01 0.00 0.01 0.00 0.00 42.46 42.29 1t31 s ILE 64 CO -0.03 0.01 -0.20 -0.89 0.00 0.00 0.00 174.94 173.83 1t31 s THR 65 N 0.20 2.49 -0.13 2.92 2.01 -0.72 -1.31 115.64 121.11 1t31 s THR 65 Ca -0.01 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.07 1t31 s THR 65 Cb -0.02 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 1t31 s THR 65 CO -0.01 0.56 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.77 1t31 s VAL 66 N 0.04 4.07 -0.21 3.82 1.01 0.34 -1.31 120.40 128.16 1t31 s VAL 66 Ca -0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1t31 s VAL 66 Cb -0.15 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.48 1t31 s VAL 66 CO 0.05 0.53 -0.11 -0.89 0.00 0.00 0.00 175.10 174.68 1t31 s THR 67 N -0.09 2.76 0.16 3.92 2.01 -0.21 -0.75 115.64 123.44 1t31 s THR 67 Ca 0.03 -0.76 0.06 0.00 0.31 0.00 0.00 61.69 61.33 1t31 s THR 67 Cb -0.13 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 1t31 s THR 67 CO 0.02 0.43 0.02 -0.76 -0.69 0.00 0.00 174.62 173.65 1t31 s LEU 68 N 1.38 3.43 0.00 4.42 1.43 0.19 -1.84 118.68 127.68 1t31 s LEU 68 Ca 0.05 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1t31 s LEU 68 Cb -0.14 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 43.99 1t31 s LEU 68 CO -0.07 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.22 1t31 n GLY 69 N -0.04 0.43 3.89 -3.19 0.00 -1.25 -1.22 105.19 103.82 1t31 n GLY 69 Ca -0.10 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 1t31 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t31 s ALA 70 N -2.00 3.96 0.08 4.61 0.00 -1.26 -4.14 121.76 123.01 1t31 s ALA 70 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.36 1t31 s ALA 70 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.80 1t31 s ALA 70 CO 0.00 -0.00 0.00 1.58 0.00 0.00 0.00 175.76 177.34 1t31 n HIS 71 N -1.45 -0.66 -3.02 0.00 -0.00 -1.26 -4.67 115.22 104.15 1t31 n HIS 71 Ca -0.01 0.12 -0.44 0.00 0.46 0.00 0.00 57.72 57.85 1t31 n HIS 71 Cb 0.59 0.39 -0.05 0.00 -0.12 0.00 0.00 29.99 30.81 1t31 n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1t31 s ASN 72 N -4.60 6.22 0.00 0.26 3.84 -1.26 -1.76 114.94 117.64 1t31 s ASN 72 Ca 0.00 -0.99 0.05 0.00 0.21 0.00 0.00 52.86 52.13 1t31 s ASN 72 Cb 0.00 -2.35 0.23 0.00 -0.55 0.00 0.00 41.25 38.58 1t31 s ASN 72 CO 0.00 -1.14 1.13 0.00 -2.79 0.00 0.00 177.10 174.30 1t31 n ILE 73 N 5.76 1.51 0.80 -5.21 0.13 0.01 -1.28 119.36 121.07 1t31 n ILE 73 Ca -0.05 0.38 0.12 0.00 -1.10 0.00 0.00 62.75 62.09 1t31 n ILE 73 Cb 0.45 -1.29 0.12 0.00 -0.84 0.00 0.00 39.64 38.08 1t31 n ILE 73 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 1t31 n THR 74 N -1.46 0.12 -3.89 9.51 -2.24 -1.26 -4.80 114.28 110.26 1t31 n THR 74 Ca 0.01 -0.56 -0.30 0.00 -2.27 0.00 0.00 64.05 60.93 1t31 n THR 74 Cb 0.06 1.36 -0.15 0.00 -2.10 0.00 0.00 70.33 69.49 1t31 n THR 74 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1t31 s GLU 75 N -1.82 1.22 0.34 -0.78 2.12 -0.41 -5.11 118.70 114.27 1t31 s GLU 75 Ca 0.30 -1.34 -0.29 0.00 0.36 0.00 0.00 54.97 53.99 1t31 s GLU 75 Cb 0.20 -2.59 -0.11 0.00 0.26 0.00 0.00 34.13 31.89 1t31 s GLU 75 CO 0.29 -0.87 1.54 -2.00 -0.54 0.00 0.00 175.26 173.69 1t31 s GLU 77 N 1.30 4.11 0.20 4.30 2.12 -1.26 -4.72 118.70 124.74 1t31 s GLU 77 Ca 0.06 2.59 0.07 0.00 0.36 0.00 0.00 54.97 58.04 1t31 s GLU 77 Cb -0.18 -2.99 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 1t31 s GLU 77 CO -0.14 -0.59 -0.11 -1.21 -0.54 0.00 0.00 175.26 172.67 1t31 s GLU 78 N -1.34 1.30 0.00 4.30 2.02 -1.26 -5.02 118.70 118.70 1t31 s GLU 78 Ca 0.58 -1.59 0.12 0.00 0.02 0.00 0.00 54.97 54.10 1t31 s GLU 78 Cb -0.47 -0.98 0.57 0.00 0.10 0.00 0.00 34.13 33.35 1t31 s GLU 78 CO 0.56 0.12 1.36 -3.47 0.02 0.00 0.00 175.26 173.85 1t31 n ASP 79 N -0.37 0.00 0.08 -0.19 2.03 -1.26 -1.31 116.55 115.53 1t31 n ASP 79 Ca -0.08 0.33 0.12 0.00 0.52 0.00 0.00 54.79 55.68 1t31 n ASP 79 Cb 0.61 -0.41 0.27 0.00 -0.72 0.00 0.00 41.12 40.87 1t31 n ASP 79 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1t31 n THR 79 N -1.41 0.45 -1.95 5.18 -2.24 -1.26 -4.92 114.28 108.13 1t31 n THR 79 Ca 0.04 -0.27 -0.40 0.00 -2.27 0.00 0.00 64.05 61.15 1t31 n THR 79 Cb 0.12 -0.31 -0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1t31 n THR 79 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1t31 s TRP 80 N -3.14 2.72 -0.18 4.78 0.52 -0.43 -4.37 118.94 118.85 1t31 s TRP 80 Ca 0.08 1.33 -0.05 0.00 0.02 0.00 0.00 56.10 57.48 1t31 s TRP 80 Cb 0.13 -3.80 0.07 0.00 -1.15 0.00 0.00 33.47 28.72 1t31 s TRP 80 CO 0.67 -2.43 0.11 -0.65 0.02 0.00 0.00 176.95 174.67 1t31 s GLN 81 N -2.19 0.09 -0.19 4.98 -0.21 -0.36 -4.99 119.66 116.79 1t31 s GLN 81 Ca 0.56 -0.07 -0.07 0.00 0.02 0.00 0.00 55.36 55.80 1t31 s GLN 81 Cb -0.41 -1.71 -0.04 0.00 1.00 0.00 0.00 33.01 31.85 1t31 s GLN 81 CO 0.54 -0.69 0.06 0.15 -2.12 0.00 0.00 175.29 173.23 1t31 s LYS 82 N 2.16 3.90 -0.01 2.91 1.02 -1.26 -0.64 119.74 127.82 1t31 s LYS 82 Ca 0.03 -0.38 0.02 0.00 0.02 0.00 0.00 55.97 55.66 1t31 s LYS 82 Cb -0.16 -3.21 -0.00 0.00 -0.52 0.00 0.00 37.83 33.94 1t31 s LYS 82 CO -0.11 0.19 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.94 1t31 s LEU 83 N 0.58 1.89 0.25 3.17 1.43 0.07 -4.98 118.68 121.10 1t31 s LEU 83 Ca 0.03 -0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 52.72 1t31 s LEU 83 Cb -0.13 -0.39 -0.09 0.00 0.03 0.00 0.00 46.19 45.61 1t31 s LEU 83 CO 0.01 0.06 0.90 -0.70 0.23 0.00 0.00 176.35 176.85 1t31 s GLU 84 N 0.02 4.68 -0.01 1.70 2.12 -1.26 -0.51 118.70 125.43 1t31 s GLU 84 Ca 0.00 1.33 -0.24 0.00 0.36 0.00 0.00 54.97 56.42 1t31 s GLU 84 Cb -0.05 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 1t31 s GLU 84 CO -0.00 0.45 0.75 0.08 -0.54 0.00 0.00 175.26 175.99 1t31 s VAL 85 N -1.34 4.90 -0.26 3.70 1.01 -0.43 -0.65 120.40 127.34 1t31 s VAL 85 Ca 0.43 1.57 0.18 0.00 0.00 0.00 0.00 61.98 64.15 1t31 s VAL 85 Cb -0.22 -4.09 -0.25 0.00 0.00 0.00 0.00 36.38 31.81 1t31 s VAL 85 CO 0.28 0.30 0.49 2.30 0.00 0.00 0.00 175.10 178.46 1t31 n ILE 86 N 3.36 0.00 -3.72 2.22 -5.35 -0.07 -4.69 119.36 111.11 1t31 n ILE 86 Ca -0.01 -0.31 -0.12 0.00 -0.27 0.00 0.00 62.75 62.04 1t31 n ILE 86 Cb 0.51 0.36 -0.11 0.00 -1.74 0.00 0.00 39.64 38.65 1t31 n ILE 86 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1t31 s LYS 87 N -3.06 0.34 -0.17 6.28 3.01 -1.20 -5.01 119.74 119.93 1t31 s LYS 87 Ca -0.03 0.63 -0.04 0.00 -1.01 0.00 0.00 55.97 55.53 1t31 s LYS 87 Cb 0.12 0.00 -0.02 0.00 -1.01 0.00 0.00 37.83 36.92 1t31 s LYS 87 CO 0.73 -0.13 -0.04 -0.65 0.51 0.00 0.00 175.35 175.77 1t31 s GLN 88 N 1.05 3.57 -0.71 1.68 -0.21 -1.26 -1.28 119.66 122.50 1t31 s GLN 88 Ca -0.07 -0.56 0.02 0.00 0.02 0.00 0.00 55.36 54.76 1t31 s GLN 88 Cb -0.07 -2.93 0.18 0.00 1.00 0.00 0.00 33.01 31.18 1t31 s GLN 88 CO -0.08 0.10 0.52 -0.06 -2.12 0.00 0.00 175.29 173.66 1t31 s PHE 89 N 0.71 3.57 0.33 0.91 0.08 0.80 -4.99 117.98 119.40 1t31 s PHE 89 Ca -0.02 -3.12 -0.27 0.00 0.12 0.00 0.00 56.93 53.64 1t31 s PHE 89 Cb -0.15 -2.96 -0.09 0.00 -0.57 0.00 0.00 43.02 39.25 1t31 s PHE 89 CO 0.02 -0.68 1.05 1.03 -0.10 0.00 0.00 175.22 176.54 1t31 s ARG 90 N -0.99 4.43 0.26 0.44 0.52 -1.26 -1.54 118.95 120.81 1t31 s ARG 90 Ca 0.23 1.62 -0.31 0.00 -0.52 0.00 0.00 55.73 56.75 1t31 s ARG 90 Cb -0.12 -2.87 -0.12 0.00 0.52 0.00 0.00 34.95 32.36 1t31 s ARG 90 CO -0.10 0.07 1.52 1.58 0.02 0.00 0.00 175.30 178.39 1t31 n HIS 91 N 0.59 2.52 0.13 -0.53 -0.00 -0.86 -4.84 115.22 112.23 1t31 n HIS 91 Ca 0.02 0.32 0.16 0.00 -0.00 0.00 0.00 57.72 58.22 1t31 n HIS 91 Cb 0.47 -2.54 0.72 0.00 -0.00 0.00 0.00 29.99 28.65 1t31 n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1t31 h PRO 92 N 4.67 0.00 -0.31 1.57 0.13 -1.92 -2.01 132.00 134.13 1t31 h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1t31 h PRO 92 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1t31 h PRO 92 CO 0.79 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.19 1t31 n LYS 93 N -4.22 2.27 -1.65 0.86 5.02 -1.26 -4.95 118.16 114.23 1t31 n LYS 93 Ca 0.04 -1.92 -0.51 0.00 -2.02 0.00 0.00 58.31 53.90 1t31 n LYS 93 Cb 0.39 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.87 1t31 n LYS 93 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1t31 n TYR 94 N 1.14 1.92 -4.14 2.13 9.36 -0.76 -4.76 117.16 122.06 1t31 n TYR 94 Ca 0.18 0.44 -0.28 0.00 3.32 0.00 0.00 57.90 61.56 1t31 n TYR 94 Cb 0.52 -2.46 -0.17 0.00 -0.63 0.00 0.00 39.34 36.61 1t31 n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1t31 s ASN 95 N 1.80 2.39 0.37 2.98 3.84 -1.01 -5.01 114.94 120.30 1t31 s ASN 95 Ca 0.88 -0.40 0.28 0.00 0.21 0.00 0.00 52.86 53.82 1t31 s ASN 95 Cb -0.88 -1.02 1.09 0.00 -0.55 0.00 0.00 41.25 39.89 1t31 s ASN 95 CO 0.50 -0.05 1.81 0.71 -2.79 0.00 0.00 177.10 177.28 1t31 h THR 96 N 6.06 0.00 0.08 -5.21 1.35 -1.91 0.83 112.91 114.11 1t31 h THR 96 Ca -0.33 -0.38 -0.19 0.00 -0.55 0.00 0.00 66.41 64.95 1t31 h THR 96 Cb 1.15 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1t31 h THR 96 CO 0.48 0.00 -0.97 0.28 -0.25 0.00 0.00 175.52 175.06 1t31 h SER 97 N 0.00 0.26 0.67 5.36 0.02 -1.98 -3.36 113.55 114.52 1t31 h SER 97 Ca 0.00 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 1t31 h SER 97 Cb 0.47 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1t31 h SER 97 CO 0.00 1.42 -1.03 0.35 -1.14 0.00 0.00 176.83 176.43 1t31 n THR 98 N -4.19 0.34 -1.82 -2.27 -2.24 -1.22 -4.95 114.28 97.93 1t31 n THR 98 Ca -0.21 -0.38 -0.21 0.00 -2.27 0.00 0.00 64.05 60.99 1t31 n THR 98 Cb 0.76 -0.06 -0.07 0.00 -2.10 0.00 0.00 70.33 68.86 1t31 n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1t31 n LEU 99 N -2.26 -1.63 -4.84 3.22 4.77 0.29 -4.81 117.00 111.74 1t31 n LEU 99 Ca 0.01 0.37 -0.32 0.00 -0.03 0.00 0.00 56.01 56.03 1t31 n LEU 99 Cb 0.49 -2.87 -0.04 0.00 -2.33 0.00 0.00 43.42 38.66 1t31 n LEU 99 CO 0.40 -0.85 0.67 -1.00 -1.33 0.00 0.00 177.39 175.29 1t31 s HIS 100 N -2.84 3.40 -1.21 -1.77 3.76 -1.21 -4.05 115.29 111.37 1t31 s HIS 100 Ca 0.00 1.51 -0.07 0.00 -0.15 0.00 0.00 55.06 56.35 1t31 s HIS 100 Cb 0.00 -2.81 0.01 0.00 1.11 0.00 0.00 32.58 30.88 1t31 s HIS 100 CO 0.00 -0.31 1.05 0.72 -0.85 0.00 0.00 174.74 175.35 1t31 n HIS 101 N -1.32 -2.54 -2.29 1.40 8.25 -1.26 -2.40 115.22 115.06 1t31 n HIS 101 Ca 0.07 0.91 -0.43 0.00 -0.26 0.00 0.00 57.72 58.01 1t31 n HIS 101 Cb 0.54 -4.68 0.00 0.00 1.12 0.00 0.00 29.99 26.97 1t31 n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1t31 n ASP 102 N -2.63 4.59 -3.85 0.41 2.03 -1.26 -4.21 116.55 111.63 1t31 n ASP 102 Ca -0.03 -2.91 -0.11 0.00 0.52 0.00 0.00 54.79 52.26 1t31 n ASP 102 Cb 0.57 -1.68 -0.10 0.00 -0.72 0.00 0.00 41.12 39.19 1t31 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1t31 s ILE 103 N 3.34 0.08 -0.12 5.18 2.07 -1.26 -3.79 121.20 126.70 1t31 s ILE 103 Ca 0.49 -0.67 -0.24 0.00 -1.41 0.00 0.00 60.65 58.82 1t31 s ILE 103 Cb 0.07 -0.49 0.06 0.00 0.13 0.00 0.00 42.46 42.23 1t31 s ILE 103 CO 0.01 -0.37 0.59 -0.32 -1.91 0.00 0.00 174.94 172.94 1t31 s MET 104 N -1.44 0.85 -0.05 3.50 -2.45 0.04 -2.04 119.30 117.70 1t31 s MET 104 Ca -0.14 0.42 0.01 0.00 -1.25 0.00 0.00 55.69 54.73 1t31 s MET 104 Cb -0.07 0.40 -0.03 0.00 1.25 0.00 0.00 34.83 36.38 1t31 s MET 104 CO 0.02 -0.20 -0.05 -0.51 1.05 0.00 0.00 175.02 175.32 1t31 s LEU 105 N -0.59 3.27 -0.12 4.11 1.43 -0.59 -1.02 118.68 125.16 1t31 s LEU 105 Ca -0.07 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 1t31 s LEU 105 Cb -0.03 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.44 1t31 s LEU 105 CO 0.05 0.35 -0.21 -0.76 0.23 0.00 0.00 176.35 176.01 1t31 s LEU 106 N -0.98 2.02 -0.17 1.79 1.43 0.18 -0.14 118.68 122.81 1t31 s LEU 106 Ca 0.14 -0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 52.55 1t31 s LEU 106 Cb -0.11 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1t31 s LEU 106 CO 0.03 0.09 0.31 -0.75 0.23 0.00 0.00 176.35 176.26 1t31 s LYS 107 N 0.69 4.23 0.26 1.70 2.20 -0.40 -1.09 119.74 127.33 1t31 s LYS 107 Ca -0.11 0.10 -0.15 0.00 -0.36 0.00 0.00 55.97 55.44 1t31 s LYS 107 Cb -0.16 -3.46 -0.08 0.00 -1.51 0.00 0.00 37.83 32.62 1t31 s LYS 107 CO 0.02 0.16 0.68 -0.51 -0.36 0.00 0.00 175.35 175.34 1t31 s LEU 108 N 0.69 4.18 0.34 5.43 1.43 0.46 -0.90 118.68 130.32 1t31 s LEU 108 Ca 0.16 1.23 0.11 0.00 -1.03 0.00 0.00 54.13 54.60 1t31 s LEU 108 Cb -0.13 -3.80 0.89 0.00 0.03 0.00 0.00 46.19 43.17 1t31 s LEU 108 CO 0.05 -0.09 1.77 0.50 0.23 0.00 0.00 176.35 178.81 1t31 h LYS 109 N 2.73 0.59 -4.06 1.70 3.64 -1.22 -3.43 116.57 116.52 1t31 h LYS 109 Ca -0.48 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 58.74 1t31 h LYS 109 Cb 1.18 -0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 32.73 1t31 h LYS 109 CO 0.66 0.39 -0.42 -1.83 -2.27 0.00 0.00 179.45 175.98 1t31 s GLU 110 N -5.71 1.09 0.24 1.90 -1.05 -1.26 -5.05 118.70 108.86 1t31 s GLU 110 Ca -0.10 -1.26 -0.30 0.00 -0.15 0.00 0.00 54.97 53.16 1t31 s GLU 110 Cb 0.25 0.33 -0.09 0.00 -0.44 0.00 0.00 34.13 34.19 1t31 s GLU 110 CO 0.80 -0.37 1.11 0.15 0.95 0.00 0.00 175.26 177.90 1t31 s LYS 111 N -4.00 4.61 0.63 -4.83 1.02 -1.26 -4.66 119.74 111.25 1t31 s LYS 111 Ca 0.20 1.79 -0.12 0.00 0.02 0.00 0.00 55.97 57.85 1t31 s LYS 111 Cb 0.05 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 34.11 1t31 s LYS 111 CO 0.01 0.13 1.04 0.00 -0.92 0.00 0.00 175.35 175.61 1t31 s ALA 112 N -0.73 2.88 -0.08 5.17 0.00 0.26 -4.96 121.76 124.30 1t31 s ALA 112 Ca 0.47 0.08 -0.17 0.00 0.00 0.00 0.00 51.96 52.35 1t31 s ALA 112 Cb -0.31 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1t31 s ALA 112 CO 0.39 -0.86 0.44 -1.12 0.00 0.00 0.00 175.76 174.61 1t31 s SER 113 N -3.68 6.70 -0.17 0.00 0.01 -1.26 -4.88 113.70 110.43 1t31 s SER 113 Ca 0.58 0.84 -0.28 0.00 1.31 0.00 0.00 55.95 58.39 1t31 s SER 113 Cb -0.13 -2.27 -0.01 0.00 0.21 0.00 0.00 66.02 63.83 1t31 s SER 113 CO 0.49 0.11 0.97 -0.76 0.41 0.00 0.00 173.24 174.46 1t31 s LEU 114 N 0.10 4.18 0.32 2.44 1.43 -1.26 -4.77 118.68 121.11 1t31 s LEU 114 Ca 0.24 1.38 0.05 0.00 -1.03 0.00 0.00 54.13 54.78 1t31 s LEU 114 Cb -0.15 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 1t31 s LEU 114 CO 0.11 -0.51 0.22 0.42 0.23 0.00 0.00 176.35 176.82 1t31 s THR 115 N 2.46 0.12 0.58 5.49 -4.23 -0.08 -4.97 115.64 115.01 1t31 s THR 115 Ca 0.44 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.30 1t31 s THR 115 Cb -0.17 -2.48 0.38 0.00 1.34 0.00 0.00 72.50 71.57 1t31 s THR 115 CO 0.12 0.00 2.27 0.17 -0.54 0.00 0.00 174.62 176.64 1t31 h LEU 116 N 2.17 0.00 0.00 4.79 8.10 -1.99 -2.15 115.31 126.24 1t31 h LEU 116 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.70 1t31 h LEU 116 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.46 1t31 h LEU 116 CO 0.44 0.02 -1.16 0.00 -4.11 0.00 0.00 178.44 173.62 1t31 n ALA 117 N -2.23 3.96 -3.79 0.17 0.00 -1.26 -4.75 120.51 112.60 1t31 n ALA 117 Ca -0.03 -0.52 -0.27 0.00 0.00 0.00 0.00 53.44 52.62 1t31 n ALA 117 Cb 0.10 -0.84 -0.17 0.00 0.00 0.00 0.00 19.45 18.55 1t31 n ALA 117 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1t31 s VAL 118 N -3.15 0.73 0.17 0.00 1.01 -0.81 -3.89 120.40 114.47 1t31 s VAL 118 Ca 0.04 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 1t31 s VAL 118 Cb 0.15 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1t31 s VAL 118 CO 0.85 -0.07 0.19 -0.83 0.00 0.00 0.00 175.10 175.25 1t31 s GLY 119 N 1.78 0.86 0.35 4.51 0.00 -0.52 -0.90 107.32 113.40 1t31 s GLY 119 Ca -0.00 -1.26 0.05 0.00 0.00 0.00 0.00 44.72 43.50 1t31 s GLY 119 CO -0.07 -1.12 0.51 -0.51 0.00 0.00 0.00 173.10 171.91 1t31 s THR 120 N -4.04 4.25 -0.02 0.90 -4.23 -1.26 -3.37 115.64 107.87 1t31 s THR 120 Ca 0.25 -0.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.92 1t31 s THR 120 Cb 0.05 -3.50 0.01 0.00 1.34 0.00 0.00 72.50 70.40 1t31 s THR 120 CO 0.04 -0.24 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.64 1t31 s LEU 121 N -4.25 1.65 0.65 4.79 2.96 -0.27 -4.90 118.68 119.31 1t31 s LEU 121 Ca 0.44 -0.05 -0.10 0.00 -0.22 0.00 0.00 54.13 54.20 1t31 s LEU 121 Cb -0.10 -0.21 -0.01 0.00 0.50 0.00 0.00 46.19 46.37 1t31 s LEU 121 CO 0.33 -0.02 1.04 -2.16 -1.32 0.00 0.00 176.35 174.22 1t31 s PRO 122 N 0.40 3.13 0.09 0.98 0.04 -1.26 -4.25 135.00 134.12 1t31 s PRO 122 Ca -0.04 0.48 0.04 0.00 0.04 0.00 0.00 61.00 61.52 1t31 s PRO 122 Cb -0.07 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1t31 s PRO 122 CO -0.01 -0.81 0.03 -0.59 0.04 0.00 0.00 177.00 175.66 1t31 s PHE 123 N -3.23 3.06 0.69 0.56 -0.71 -1.26 -4.36 117.98 112.73 1t31 s PHE 123 Ca 0.56 0.01 -0.11 0.00 -1.04 0.00 0.00 56.93 56.35 1t31 s PHE 123 Cb -0.11 -1.56 0.00 0.00 -1.21 0.00 0.00 43.02 40.14 1t31 s PHE 123 CO 0.51 0.49 1.06 -1.25 -1.34 0.00 0.00 175.22 174.70 1t31 s PRO 124 N -2.34 3.00 0.38 1.99 0.04 -1.26 -5.06 135.00 131.75 1t31 s PRO 124 Ca 0.27 0.82 -0.23 0.00 0.04 0.00 0.00 61.00 61.90 1t31 s PRO 124 Cb -0.12 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 1t31 s PRO 124 CO 0.20 -1.02 0.94 0.45 0.04 0.00 0.00 177.00 177.61 1t31 s SER 125 N -3.96 7.12 0.58 6.66 0.15 -1.26 -4.55 113.70 118.44 1t31 s SER 125 Ca 0.58 1.75 0.28 0.00 0.70 0.00 0.00 55.95 59.25 1t31 s SER 125 Cb -0.13 -2.55 1.67 0.00 -1.71 0.00 0.00 66.02 63.29 1t31 s SER 125 CO 0.54 -0.22 2.16 -0.61 1.20 0.00 0.00 173.24 176.31 1t31 h GLN 126 N 2.51 0.00 0.00 5.44 4.15 -1.91 -0.22 115.11 125.08 1t31 h GLN 126 Ca -0.48 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 58.88 1t31 h GLN 126 Cb 1.19 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 1t31 h GLN 126 CO 0.63 0.00 -0.30 0.87 -1.93 0.00 0.00 178.83 178.10 1t31 h LYS 127 N 0.00 0.00 -5.28 1.69 1.57 -1.92 -3.40 116.57 109.23 1t31 h LYS 127 Ca 0.05 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.17 1t31 h LYS 127 Cb 0.29 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.44 1t31 h LYS 127 CO -0.00 0.30 0.81 -0.80 -0.57 0.00 0.00 179.45 179.19 1t31 s ASN 128 N -6.32 6.46 -0.43 0.86 0.01 -0.09 -4.98 114.94 110.45 1t31 s ASN 128 Ca 0.00 -1.63 -0.18 0.00 -0.71 0.00 0.00 52.86 50.34 1t31 s ASN 128 Cb 0.11 -2.42 0.02 0.00 0.41 0.00 0.00 41.25 39.36 1t31 s ASN 128 CO 0.66 -1.24 0.51 0.12 -1.51 0.00 0.00 177.10 175.64 1t31 s PHE 129 N 3.40 3.13 -0.18 2.20 2.19 -1.26 -4.78 117.98 122.67 1t31 s PHE 129 Ca 0.31 -0.26 -0.29 0.00 0.33 0.00 0.00 56.93 57.01 1t31 s PHE 129 Cb -0.08 -3.05 -0.02 0.00 -1.31 0.00 0.00 43.02 38.56 1t31 s PHE 129 CO -0.03 -0.76 1.33 0.08 1.83 0.00 0.00 175.22 177.67 1t31 s VAL 130 N 2.37 4.16 0.61 3.12 1.01 -1.26 -5.02 120.40 125.39 1t31 s VAL 130 Ca 0.16 1.38 -0.07 0.00 0.00 0.00 0.00 61.98 63.44 1t31 s VAL 130 Cb -0.16 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1t31 s VAL 130 CO 0.15 -0.20 0.94 -2.16 0.00 0.00 0.00 175.10 173.83 1t31 s PRO 131 N 3.75 3.01 0.79 2.72 0.04 -1.26 -5.07 135.00 138.98 1t31 s PRO 131 Ca 0.58 0.17 -0.11 0.00 0.04 0.00 0.00 61.00 61.68 1t31 s PRO 131 Cb -0.22 -2.21 0.07 0.00 0.04 0.00 0.00 34.50 32.18 1t31 s PRO 131 CO 0.18 -0.72 1.11 -2.14 0.04 0.00 0.00 177.00 175.47 1t31 s PRO 132 N -5.06 2.05 0.00 0.56 0.02 -1.26 -4.32 135.00 126.99 1t31 s PRO 132 Ca 0.54 1.29 0.00 0.00 0.02 0.00 0.00 61.00 62.85 1t31 s PRO 132 Cb -0.11 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1t31 s PRO 132 CO 0.47 -1.82 0.00 0.41 -0.33 0.00 0.00 177.00 175.74 1t31 n GLY 133 N -0.80 2.81 3.89 0.52 0.00 0.18 -4.98 105.19 106.80 1t31 n GLY 133 Ca 0.10 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 1t31 n GLY 133 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t31 s ARG 134 N 0.00 3.49 -0.03 1.61 1.70 -1.26 -4.67 118.95 119.79 1t31 s ARG 134 Ca 0.00 0.49 -0.15 0.00 -0.47 0.00 0.00 55.73 55.61 1t31 s ARG 134 Cb 0.00 -2.19 -0.05 0.00 -0.57 0.00 0.00 34.95 32.14 1t31 s ARG 134 CO 0.00 -0.48 0.39 1.41 -1.08 0.00 0.00 175.30 175.54 1t31 s MET 135 N -5.03 3.96 0.37 3.89 -2.45 -1.26 -0.84 119.30 117.94 1t31 s MET 135 Ca 0.52 0.36 0.06 0.00 -1.25 0.00 0.00 55.69 55.39 1t31 s MET 135 Cb -0.11 -3.26 -0.02 0.00 1.25 0.00 0.00 34.83 32.69 1t31 s MET 135 CO 0.50 0.60 0.23 0.00 1.05 0.00 0.00 175.02 177.41 1t31 s ARG 137 N -3.46 0.38 0.04 0.00 0.52 0.78 -0.33 118.95 116.88 1t31 s ARG 137 Ca 0.33 -0.62 0.03 0.00 -0.52 0.00 0.00 55.73 54.94 1t31 s ARG 137 Cb 0.02 0.14 -0.02 0.00 0.52 0.00 0.00 34.95 35.61 1t31 s ARG 137 CO 0.23 -0.07 -0.09 0.54 0.02 0.00 0.00 175.30 175.93 1t31 s VAL 138 N -1.68 0.64 0.17 3.52 0.11 -0.87 0.03 120.40 122.31 1t31 s VAL 138 Ca -0.14 -0.96 0.08 0.00 -2.93 0.00 0.00 61.98 58.03 1t31 s VAL 138 Cb -0.08 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1t31 s VAL 138 CO -0.01 -0.25 -0.16 0.00 -3.33 0.00 0.00 175.10 171.35 1t31 s ALA 139 N -1.12 1.92 0.00 1.54 0.00 -1.26 -1.51 121.76 121.33 1t31 s ALA 139 Ca -0.06 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.38 1t31 s ALA 139 Cb -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1t31 s ALA 139 CO 0.01 0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.33 1t31 n GLY 140 N 0.10 0.59 1.65 0.00 0.00 0.33 -4.67 105.19 103.19 1t31 n GLY 140 Ca -0.12 -0.80 0.08 0.00 0.00 0.00 0.00 46.02 45.18 1t31 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1t31 n TRP 141 N -0.10 1.79 -0.89 1.61 8.01 -1.26 -1.49 117.44 125.10 1t31 n TRP 141 Ca 0.00 -0.75 -0.30 0.00 -1.31 0.00 0.00 57.50 55.13 1t31 n TRP 141 Cb 0.00 -0.45 0.26 0.00 -2.01 0.00 0.00 31.31 29.11 1t31 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1t31 s GLY 142 N -1.05 1.54 0.50 6.99 0.00 -1.25 -1.86 107.32 112.19 1t31 s GLY 142 Ca 0.52 -0.96 -0.22 0.00 0.00 0.00 0.00 44.72 44.06 1t31 s GLY 142 CO 0.15 -0.02 1.25 0.50 0.00 0.00 0.00 173.10 174.98 1t31 s ARG 143 N -5.36 3.45 0.00 2.90 0.52 0.51 -1.64 118.95 119.33 1t31 s ARG 143 Ca 0.71 1.97 0.23 0.00 -0.52 0.00 0.00 55.73 58.11 1t31 s ARG 143 Cb -0.10 -2.31 0.62 0.00 0.52 0.00 0.00 34.95 33.68 1t31 s ARG 143 CO 0.56 -0.86 1.52 0.25 0.02 0.00 0.00 175.30 176.80 1t31 n THR 144 N -0.78 0.92 -3.60 0.02 -2.24 -1.25 -1.52 114.28 105.83 1t31 n THR 144 Ca 0.09 -0.95 -0.04 0.00 -2.27 0.00 0.00 64.05 60.88 1t31 n THR 144 Cb 0.47 0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 69.23 1t31 n THR 144 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1t31 s GLY 145 N -1.06 -0.35 0.25 3.38 0.00 -1.26 -4.60 107.32 103.68 1t31 s GLY 145 Ca 0.48 1.12 -0.05 0.00 0.00 0.00 0.00 44.72 46.27 1t31 s GLY 145 CO 0.33 0.34 1.90 -2.08 0.00 0.00 0.00 173.10 173.59 1t31 h VAL 146 N 2.00 1.15 -0.45 1.40 2.07 -1.92 -2.67 116.25 117.83 1t31 h VAL 146 Ca -0.18 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1t31 h VAL 146 Cb 1.20 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1t31 h VAL 146 CO 0.26 0.22 0.00 0.18 0.02 0.00 0.00 177.57 178.25 1t31 n LEU 147 N -4.48 4.53 -4.81 2.57 4.77 -1.26 -4.97 117.00 113.34 1t31 n LEU 147 Ca 0.13 -2.74 -0.30 0.00 -0.03 0.00 0.00 56.01 53.07 1t31 n LEU 147 Cb 0.10 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 1t31 n LEU 147 CO 0.34 0.70 -0.23 -0.54 -1.33 0.00 0.00 177.39 176.33 1t31 s LYS 148 N -2.37 3.03 0.91 3.23 -0.14 -1.01 -5.11 119.74 118.27 1t31 s LYS 148 Ca 0.46 -0.64 -0.13 0.00 -1.36 0.00 0.00 55.97 54.29 1t31 s LYS 148 Cb 0.34 -2.80 0.14 0.00 -1.68 0.00 0.00 37.83 33.83 1t31 s LYS 148 CO 0.16 0.57 1.19 -1.25 -0.76 0.00 0.00 175.35 175.25 1t31 s PRO 150 N -2.49 1.15 0.57 -1.68 0.04 -1.26 -4.53 135.00 126.80 1t31 s PRO 150 Ca 0.31 0.07 -0.21 0.00 0.04 0.00 0.00 61.00 61.21 1t31 s PRO 150 Cb -0.12 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1t31 s PRO 150 CO 0.24 -2.14 1.33 0.20 0.04 0.00 0.00 177.00 176.66 1t31 s GLY 151 N -4.37 2.87 0.27 0.56 0.00 -1.26 -3.88 107.32 101.51 1t31 s GLY 151 Ca 0.66 1.28 -0.29 0.00 0.00 0.00 0.00 44.72 46.37 1t31 s GLY 151 CO 0.52 1.77 1.21 -0.45 0.00 0.00 0.00 173.10 176.15 1t31 s SER 152 N -1.10 7.04 0.21 1.64 0.15 -0.65 -4.87 113.70 116.11 1t31 s SER 152 Ca 0.75 2.42 -0.05 0.00 0.70 0.00 0.00 55.95 59.76 1t31 s SER 152 Cb -0.39 -2.63 0.17 0.00 -1.71 0.00 0.00 66.02 61.46 1t31 s SER 152 CO 0.45 -0.35 1.63 0.44 1.20 0.00 0.00 173.24 176.61 1t31 h ASP 153 N 4.08 0.82 -2.78 5.45 5.19 -1.92 -3.44 116.42 123.83 1t31 h ASP 153 Ca -0.47 -0.29 -0.58 0.00 -0.62 0.00 0.00 57.03 55.07 1t31 h ASP 153 Cb 1.22 -0.22 -0.07 0.00 0.18 0.00 0.00 39.33 40.44 1t31 h ASP 153 CO 0.69 1.00 -0.56 0.42 -3.12 0.00 0.00 179.24 177.67 1t31 s THR 154 N -4.66 4.61 0.06 0.35 -4.23 -1.26 -0.81 115.64 109.71 1t31 s THR 154 Ca -0.10 -0.96 -0.31 0.00 -1.18 0.00 0.00 61.69 59.15 1t31 s THR 154 Cb 0.13 -3.33 -0.07 0.00 1.34 0.00 0.00 72.50 70.57 1t31 s THR 154 CO 0.84 -0.06 1.40 -0.22 -0.54 0.00 0.00 174.62 176.04 1t31 s LEU 155 N -2.97 4.35 0.31 4.79 2.96 -0.73 -4.68 118.68 122.71 1t31 s LEU 155 Ca 0.31 2.23 0.10 0.00 -0.22 0.00 0.00 54.13 56.55 1t31 s LEU 155 Cb -0.11 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 1t31 s LEU 155 CO 0.24 -0.69 -0.05 -1.10 -1.32 0.00 0.00 176.35 173.43 1t31 s GLN 156 N 1.77 2.02 0.03 1.98 -1.52 -0.55 -1.28 119.66 122.11 1t31 s GLN 156 Ca 0.65 -1.69 -0.13 0.00 -1.95 0.00 0.00 55.36 52.24 1t31 s GLN 156 Cb -0.34 -1.93 0.02 0.00 -0.22 0.00 0.00 33.01 30.53 1t31 s GLN 156 CO 0.29 0.23 0.28 -1.83 -0.25 0.00 0.00 175.29 174.01 1t31 s GLU 157 N -3.65 0.76 -0.02 2.91 -1.05 -0.09 -0.51 118.70 117.05 1t31 s GLU 157 Ca 0.33 -0.49 -0.13 0.00 -0.15 0.00 0.00 54.97 54.53 1t31 s GLU 157 Cb -0.02 0.33 0.02 0.00 -0.44 0.00 0.00 34.13 34.01 1t31 s GLU 157 CO 0.18 -0.23 0.28 0.54 0.95 0.00 0.00 175.26 176.98 1t31 s VAL 158 N -2.36 0.06 -0.17 1.83 0.11 -0.57 -0.68 120.40 118.62 1t31 s VAL 158 Ca -0.06 -0.48 -0.18 0.00 -2.93 0.00 0.00 61.98 58.32 1t31 s VAL 158 Cb -0.02 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 1t31 s VAL 158 CO -0.02 -0.27 0.48 -0.54 -3.33 0.00 0.00 175.10 171.42 1t31 s LYS 159 N -1.25 4.25 0.10 1.54 1.02 -1.26 -2.05 119.74 122.09 1t31 s LYS 159 Ca -0.13 0.40 0.07 0.00 0.02 0.00 0.00 55.97 56.32 1t31 s LYS 159 Cb -0.05 -3.51 -0.03 0.00 -0.52 0.00 0.00 37.83 33.72 1t31 s LYS 159 CO 0.04 -0.01 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.78 1t31 s LEU 160 N 1.17 2.32 0.00 3.17 1.43 0.56 -4.96 118.68 122.36 1t31 s LEU 160 Ca 0.24 -0.69 -0.19 0.00 -1.03 0.00 0.00 54.13 52.46 1t31 s LEU 160 Cb -0.15 -0.69 -0.06 0.00 0.03 0.00 0.00 46.19 45.32 1t31 s LEU 160 CO 0.10 -0.03 0.53 -0.60 0.23 0.00 0.00 176.35 176.58 1t31 s ARG 161 N -2.02 4.20 -0.37 1.70 6.06 -1.26 -0.72 118.95 126.54 1t31 s ARG 161 Ca 0.04 0.62 -0.28 0.00 -2.50 0.00 0.00 55.73 53.61 1t31 s ARG 161 Cb -0.09 -3.30 0.02 0.00 0.06 0.00 0.00 34.95 31.64 1t31 s ARG 161 CO 0.03 0.49 1.07 -1.17 -2.50 0.00 0.00 175.30 173.22 1t31 s LEU 162 N -0.55 3.86 0.35 -0.88 2.96 -0.02 -0.04 118.68 124.36 1t31 s LEU 162 Ca 0.28 0.81 0.01 0.00 -0.22 0.00 0.00 54.13 55.02 1t31 s LEU 162 Cb -0.18 -3.50 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 1t31 s LEU 162 CO 0.16 -0.98 0.54 -0.04 -1.32 0.00 0.00 176.35 174.71 1t31 s MET 163 N 3.84 3.39 0.43 1.98 -1.94 0.18 0.50 119.30 127.69 1t31 s MET 163 Ca 0.45 -0.46 -0.25 0.00 -1.71 0.00 0.00 55.69 53.71 1t31 s MET 163 Cb -0.11 -2.69 -0.08 0.00 2.01 0.00 0.00 34.83 33.96 1t31 s MET 163 CO 0.20 0.12 1.34 -0.51 -0.01 0.00 0.00 175.02 176.16 1t31 s ASP 164 N -4.07 6.08 0.58 3.03 1.11 -1.26 -4.38 116.67 117.77 1t31 s ASP 164 Ca 0.41 2.73 0.28 0.00 0.18 0.00 0.00 52.55 56.15 1t31 s ASP 164 Cb -0.10 -2.64 1.55 0.00 1.07 0.00 0.00 42.92 42.80 1t31 s ASP 164 CO 0.35 -1.02 2.00 1.55 1.18 0.00 0.00 175.17 179.23 1t31 h PRO 165 N 2.43 0.00 0.00 8.23 0.13 -1.97 0.76 132.00 141.58 1t31 h PRO 165 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1t31 h PRO 165 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1t31 h PRO 165 CO 0.61 0.00 -0.01 0.37 -0.23 0.00 0.00 178.00 178.74 1t31 h GLN 166 N 0.00 0.00 0.00 0.86 4.15 -2.01 -0.52 115.11 117.59 1t31 h GLN 166 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1t31 h GLN 166 Cb 0.85 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.54 1t31 h GLN 166 CO -0.00 0.01 0.00 0.00 -1.93 0.00 0.00 178.83 176.91 1t31 h ALA 167 N 1.99 1.00 -0.22 3.38 0.00 -1.19 -2.31 119.26 121.91 1t31 h ALA 167 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1t31 h ALA 167 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1t31 h ALA 167 CO 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.21 1t31 h SER 169 N 1.19 0.00 0.46 0.00 4.64 -1.42 -2.28 113.55 116.14 1t31 h SER 169 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1t31 h SER 169 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1t31 h SER 169 CO 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.18 1t31 n HIS 172 N -3.06 0.00 -3.38 4.77 1.44 -1.26 -4.60 115.22 109.13 1t31 n HIS 172 Ca -0.00 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.31 1t31 n HIS 172 Cb 0.26 -0.30 -0.09 0.00 0.12 0.00 0.00 29.99 29.98 1t31 n HIS 172 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1t31 s PHE 173 N -2.59 3.23 0.04 -1.40 0.08 -0.86 -5.02 117.98 111.45 1t31 s PHE 173 Ca 0.22 0.31 -0.37 0.00 0.12 0.00 0.00 56.93 57.21 1t31 s PHE 173 Cb 0.16 -2.62 -0.16 0.00 -0.57 0.00 0.00 43.02 39.83 1t31 s PHE 173 CO 0.36 -0.29 1.43 -2.13 -0.10 0.00 0.00 175.22 174.49 1t31 n ARG 174 N 5.38 1.24 -1.07 0.44 3.00 -1.26 -1.78 116.66 122.60 1t31 n ARG 174 Ca -0.08 0.45 -0.02 0.00 -0.00 0.00 0.00 57.85 58.19 1t31 n ARG 174 Cb 0.50 -2.11 -0.01 0.00 0.00 0.00 0.00 32.46 30.84 1t31 n ARG 174 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1t31 n ASP 175 N 3.07 -5.15 -4.60 6.15 8.00 -1.26 -4.89 116.55 117.87 1t31 n ASP 175 Ca 0.20 0.06 -0.49 0.00 0.71 0.00 0.00 54.79 55.27 1t31 n ASP 175 Cb 0.19 -2.87 -0.04 0.00 -0.02 0.00 0.00 41.12 38.38 1t31 n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1t31 n PHE 176 N -2.31 1.52 -3.82 1.24 7.35 -0.73 -4.94 117.46 115.77 1t31 n PHE 176 Ca -0.02 0.61 -0.29 0.00 -0.76 0.00 0.00 57.45 56.99 1t31 n PHE 176 Cb 0.39 -2.33 -0.16 0.00 0.35 0.00 0.00 39.48 37.73 1t31 n PHE 176 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1t31 s ASP 177 N 0.22 3.33 0.47 -2.13 -1.08 -1.26 -5.02 116.67 111.20 1t31 s ASP 177 Ca 0.76 -1.00 0.27 0.00 -0.52 0.00 0.00 52.55 52.06 1t31 s ASP 177 Cb -0.85 -0.84 1.32 0.00 -1.46 0.00 0.00 42.92 41.09 1t31 s ASP 177 CO 0.49 -0.28 1.80 -0.74 0.52 0.00 0.00 175.17 176.96 1t31 h HIS 177 N 8.12 0.33 0.00 -5.34 -0.00 -1.92 0.28 115.15 116.62 1t31 h HIS 177 Ca -0.17 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.20 1t31 h HIS 177 Cb 1.10 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 28.41 1t31 h HIS 177 CO 0.37 0.03 -0.09 -0.97 -0.00 0.00 0.00 177.93 177.27 1t31 h ASN 178 N 0.20 0.00 0.00 3.26 -1.24 -2.01 -3.33 115.58 112.46 1t31 h ASN 178 Ca 0.56 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.54 1t31 h ASN 178 Cb 1.80 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.85 1t31 h ASN 178 CO -0.15 0.09 -1.47 0.18 -1.29 0.00 0.00 177.43 174.79 1t31 n LEU 179 N -3.15 0.00 -4.25 0.34 4.77 0.40 -4.80 117.00 110.31 1t31 n LEU 179 Ca 0.02 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 1t31 n LEU 179 Cb 0.47 0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1t31 n LEU 179 CO 0.33 0.04 -0.40 -1.10 -1.33 0.00 0.00 177.39 174.93 1t31 s GLN 180 N -2.56 1.07 -0.01 3.23 -0.21 0.72 -1.15 119.66 120.75 1t31 s GLN 180 Ca -0.04 -1.46 0.02 0.00 0.02 0.00 0.00 55.36 53.91 1t31 s GLN 180 Cb 0.05 -0.59 -0.03 0.00 1.00 0.00 0.00 33.01 33.44 1t31 s GLN 180 CO 0.39 0.05 -0.05 -0.51 -2.12 0.00 0.00 175.29 173.05 1t31 s LEU 181 N -3.17 3.24 -0.36 2.90 1.43 0.14 -4.42 118.68 118.43 1t31 s LEU 181 Ca 0.17 -0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 53.08 1t31 s LEU 181 Cb 0.03 -1.83 0.04 0.00 0.03 0.00 0.00 46.19 44.45 1t31 s LEU 181 CO 0.01 0.30 0.17 0.00 0.23 0.00 0.00 176.35 177.05 1t31 s VAL 183 N 1.49 2.49 0.00 0.00 1.01 -0.63 0.51 120.40 125.27 1t31 s VAL 183 Ca 0.01 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1t31 s VAL 183 Cb -0.19 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1t31 s VAL 183 CO 0.05 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1t31 n GLY 184 N 3.78 1.70 3.68 4.51 0.00 0.94 -0.68 105.19 119.12 1t31 n GLY 184 Ca -0.19 -1.03 -0.47 0.00 0.00 0.00 0.00 46.02 44.33 1t31 n GLY 184 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1t31 n ASN 185 N 0.00 3.51 0.04 1.61 2.85 -1.26 -3.55 115.26 118.47 1t31 n ASN 185 Ca 0.00 0.99 0.07 0.00 -0.11 0.00 0.00 54.58 55.53 1t31 n ASN 185 Cb 0.00 -1.42 0.30 0.00 1.24 0.00 0.00 39.78 39.90 1t31 n ASN 185 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1t31 n PRO 185 N 5.92 0.05 -0.59 1.20 -0.04 -1.26 -2.51 135.00 137.77 1t31 n PRO 185 Ca 0.21 0.37 0.05 0.00 -0.04 0.00 0.00 63.50 64.09 1t31 n PRO 185 Cb 0.31 -1.62 0.28 0.00 -0.04 0.00 0.00 33.50 32.44 1t31 n PRO 185 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1t31 n ARG 185 N -1.71 3.58 -4.08 0.54 1.74 -1.26 -4.83 116.66 110.64 1t31 n ARG 185 Ca 0.02 -2.17 -0.07 0.00 -0.77 0.00 0.00 57.85 54.86 1t31 n ARG 185 Cb 0.13 -1.98 -0.10 0.00 -1.02 0.00 0.00 32.46 29.50 1t31 n ARG 185 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1t31 s LYS 186 N -2.14 0.59 0.13 5.56 1.02 -1.04 -5.07 119.74 118.79 1t31 s LYS 186 Ca 0.38 -1.19 0.23 0.00 0.02 0.00 0.00 55.97 55.41 1t31 s LYS 186 Cb 0.28 0.20 0.09 0.00 -0.52 0.00 0.00 37.83 37.88 1t31 s LYS 186 CO 0.12 -0.11 1.09 0.25 -0.92 0.00 0.00 175.35 175.78 1t31 n THR 187 N 0.19 0.40 -1.65 2.17 -2.24 -1.26 -4.56 114.28 107.34 1t31 n THR 187 Ca -0.15 -0.39 -0.44 0.00 -2.27 0.00 0.00 64.05 60.80 1t31 n THR 187 Cb 0.61 -0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.69 1t31 n THR 187 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1t31 n LYS 188 N -2.32 1.77 0.00 -0.78 5.02 -1.26 -4.71 118.16 115.88 1t31 n LYS 188 Ca 0.01 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 1t31 n LYS 188 Cb 0.49 -2.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 1t31 n LYS 188 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1t31 n SER 189 N 1.45 0.00 -4.85 4.39 2.88 -0.74 -4.68 113.62 112.07 1t31 n SER 189 Ca 0.09 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.32 1t31 n SER 189 Cb 0.32 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.78 1t31 n SER 189 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t31 s ALA 190 N -2.00 3.04 0.10 -1.46 0.00 -1.26 0.22 121.76 120.40 1t31 s ALA 190 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 1t31 s ALA 190 Cb 0.00 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 20.02 1t31 s ALA 190 CO 0.00 -0.53 0.16 0.34 0.00 0.00 0.00 175.76 175.72 1t31 n PHE 191 N -2.23 -0.94 -1.60 0.00 7.35 -1.26 -4.78 117.46 113.99 1t31 n PHE 191 Ca 0.06 -0.56 -0.53 0.00 -0.76 0.00 0.00 57.45 55.67 1t31 n PHE 191 Cb 0.54 0.18 -0.06 0.00 0.35 0.00 0.00 39.48 40.49 1t31 n PHE 191 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1t31 n LYS 192 N -0.15 1.13 0.00 -4.13 4.81 -1.26 -1.19 118.16 117.37 1t31 n LYS 192 Ca -0.01 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 1t31 n LYS 192 Cb 0.15 -2.05 0.00 0.00 0.02 0.00 0.00 35.03 33.15 1t31 n LYS 192 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1t31 n GLY 193 N 2.63 3.24 0.03 3.14 0.00 -1.26 -0.36 105.19 112.61 1t31 n GLY 193 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1t31 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t31 n ASP 194 N 0.00 0.41 -4.47 1.61 8.00 -0.33 -3.86 116.55 117.90 1t31 n ASP 194 Ca 0.00 0.24 -0.45 0.00 0.71 0.00 0.00 54.79 55.29 1t31 n ASP 194 Cb 0.00 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 40.85 1t31 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1t31 n SER 195 N -1.74 -0.32 0.00 -2.24 7.64 -1.26 -1.02 113.62 114.67 1t31 n SER 195 Ca 0.06 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1t31 n SER 195 Cb 0.37 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 1t31 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t31 n GLY 196 N 1.69 3.07 3.77 0.23 0.00 0.44 0.19 105.19 114.57 1t31 n GLY 196 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1t31 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t31 s GLY 197 N -1.42 2.70 0.48 -0.02 0.00 -0.19 -3.36 107.32 105.50 1t31 s GLY 197 Ca 0.00 0.85 -0.19 0.00 0.00 0.00 0.00 44.72 45.38 1t31 s GLY 197 CO 0.00 1.26 0.98 2.56 0.00 0.00 0.00 173.10 177.90 1t31 s PRO 198 N -2.93 4.00 -0.21 2.90 0.04 -1.26 -0.38 135.00 137.16 1t31 s PRO 198 Ca 0.67 1.10 -0.04 0.00 0.04 0.00 0.00 61.00 62.77 1t31 s PRO 198 Cb -0.25 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 1t31 s PRO 198 CO 0.30 -0.23 -0.04 -1.17 0.04 0.00 0.00 177.00 175.90 1t31 s LEU 199 N -3.63 2.94 -0.13 -3.56 2.96 0.07 -4.04 118.68 113.28 1t31 s LEU 199 Ca 0.62 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 54.15 1t31 s LEU 199 Cb -0.11 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1t31 s LEU 199 CO 0.22 0.01 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.47 1t31 s LEU 200 N 1.29 3.29 -0.26 -0.68 1.02 0.10 -1.00 118.68 122.44 1t31 s LEU 200 Ca 0.04 -0.08 0.03 0.00 0.02 0.00 0.00 54.13 54.13 1t31 s LEU 200 Cb -0.14 -1.78 0.07 0.00 0.02 0.00 0.00 46.19 44.35 1t31 s LEU 200 CO -0.02 0.22 -0.08 0.00 0.02 0.00 0.00 176.35 176.50 1t31 n ALA 202 N 4.47 -0.68 -0.91 0.00 0.00 -1.26 -2.74 120.51 119.40 1t31 n ALA 202 Ca -0.11 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1t31 n ALA 202 Cb 0.42 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 17.00 1t31 n ALA 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t31 n GLY 207 N -1.29 0.80 3.28 0.00 0.00 -1.26 -5.03 105.19 101.69 1t31 n GLY 207 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1t31 n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t31 s ALA 208 N -3.12 2.30 0.16 4.61 0.00 -1.11 -5.03 121.76 119.57 1t31 s ALA 208 Ca 0.00 -0.97 -0.31 0.00 0.00 0.00 0.00 51.96 50.68 1t31 s ALA 208 Cb 0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 23.12 22.15 1t31 s ALA 208 CO 0.00 0.32 1.39 0.00 0.00 0.00 0.00 175.76 177.48 1t31 s ALA 209 N 0.17 3.60 0.00 0.00 0.00 -1.26 -1.27 121.76 122.99 1t31 s ALA 209 Ca -0.12 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1t31 s ALA 209 Cb -0.16 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1t31 s ALA 209 CO 0.07 -0.62 0.00 1.04 0.00 0.00 0.00 175.76 176.24 1t31 n GLN 210 N 3.40 3.50 -4.09 0.00 1.13 -0.17 -4.24 117.38 116.91 1t31 n GLN 210 Ca 0.10 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.05 1t31 n GLN 210 Cb 0.42 -0.67 -0.08 0.00 0.11 0.00 0.00 30.24 30.02 1t31 n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1t31 s GLY 211 N -0.79 0.93 -0.08 1.08 0.00 -1.17 -1.71 107.32 105.59 1t31 s GLY 211 Ca 0.00 -1.27 0.01 0.00 0.00 0.00 0.00 44.72 43.46 1t31 s GLY 211 CO 0.00 -1.06 -0.09 -0.42 0.00 0.00 0.00 173.10 171.53 1t31 s ILE 212 N -4.07 1.01 0.00 0.90 1.01 -0.80 -0.75 121.20 118.51 1t31 s ILE 212 Ca 0.28 -0.36 -0.33 0.00 0.00 0.00 0.00 60.65 60.25 1t31 s ILE 212 Cb 0.04 -0.97 -0.11 0.00 0.01 0.00 0.00 42.46 41.42 1t31 s ILE 212 CO 0.08 0.34 1.84 0.52 0.00 0.00 0.00 174.94 177.72 1t31 n VAL 213 N 4.28 0.49 -0.02 2.92 0.31 0.49 -0.58 118.33 126.22 1t31 n VAL 213 Ca -0.19 -0.09 -0.03 0.00 -0.01 0.00 0.00 64.34 64.02 1t31 n VAL 213 Cb 0.51 -1.94 -0.01 0.00 -0.91 0.00 0.00 33.84 31.49 1t31 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1t31 n SER 214 N 6.14 0.84 -3.05 4.52 2.88 -0.29 -0.42 113.62 124.23 1t31 n SER 214 Ca 0.21 0.13 -0.05 0.00 -1.33 0.00 0.00 58.87 57.83 1t31 n SER 214 Cb 0.32 -0.44 0.02 0.00 -0.75 0.00 0.00 64.21 63.37 1t31 n SER 214 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t31 n TYR 215 N -3.32 -1.73 -2.92 0.66 0.18 -0.88 -4.88 117.16 104.27 1t31 n TYR 215 Ca -0.04 -1.47 0.00 0.00 1.88 0.00 0.00 57.90 58.27 1t31 n TYR 215 Cb 0.16 0.72 0.00 0.00 -0.38 0.00 0.00 39.34 39.84 1t31 n TYR 215 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1t31 n GLY 216 N -0.64 1.02 3.77 -7.48 0.00 -1.26 0.01 105.19 100.61 1t31 n GLY 216 Ca -0.05 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 1t31 n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t31 s ARG 217 N 0.79 4.37 0.56 1.61 0.52 -1.26 -4.93 118.95 120.61 1t31 s ARG 217 Ca 0.00 1.63 0.34 0.00 -0.52 0.00 0.00 55.73 57.18 1t31 s ARG 217 Cb 0.00 -2.82 1.56 0.00 0.52 0.00 0.00 34.95 34.21 1t31 s ARG 217 CO 0.00 0.02 2.06 0.66 0.02 0.00 0.00 175.30 178.06 1t31 h SER 218 N 3.06 0.00 -0.32 0.23 4.64 -2.01 -1.64 113.55 117.52 1t31 h SER 218 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1t31 h SER 218 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1t31 h SER 218 CO 0.64 0.04 0.00 -0.90 -0.87 0.00 0.00 176.83 175.75 1t31 n ASP 219 N -3.21 1.97 -0.32 4.97 5.75 -1.26 -4.93 116.55 119.52 1t31 n ASP 219 Ca -0.01 -1.90 -0.04 0.00 -0.01 0.00 0.00 54.79 52.83 1t31 n ASP 219 Cb 0.26 -0.21 -0.02 0.00 -1.03 0.00 0.00 41.12 40.12 1t31 n ASP 219 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1t31 n ALA 220 N 0.55 -0.06 -2.70 2.12 0.00 -0.62 -4.88 120.51 114.92 1t31 n ALA 220 Ca 0.14 0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.23 1t31 n ALA 220 Cb 0.33 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 1t31 n ALA 220 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1t31 s LYS 221 N -1.84 4.50 0.86 0.00 1.02 -1.26 -4.88 119.74 118.14 1t31 s LYS 221 Ca 0.00 1.34 -0.10 0.00 0.02 0.00 0.00 55.97 57.23 1t31 s LYS 221 Cb 0.00 -3.48 0.11 0.00 -0.52 0.00 0.00 37.83 33.94 1t31 s LYS 221 CO 0.00 -0.11 1.11 -2.14 -0.92 0.00 0.00 175.35 173.29 1t31 s PRO 224 N 1.28 1.49 0.71 -1.68 0.02 -1.26 -4.52 135.00 131.03 1t31 s PRO 224 Ca 0.49 1.28 -0.10 0.00 0.02 0.00 0.00 61.00 62.69 1t31 s PRO 224 Cb -0.20 -1.80 0.03 0.00 0.02 0.00 0.00 34.50 32.55 1t31 s PRO 224 CO 0.24 -2.22 1.08 -1.25 -0.33 0.00 0.00 177.00 174.52 1t31 s PRO 225 N -4.78 2.60 0.35 5.54 0.04 -1.23 -4.50 135.00 133.02 1t31 s PRO 225 Ca 0.64 0.24 0.09 0.00 0.04 0.00 0.00 61.00 62.01 1t31 s PRO 225 Cb -0.20 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 1t31 s PRO 225 CO 0.57 -1.13 -0.00 0.00 0.04 0.00 0.00 177.00 176.48 1t31 s ALA 226 N -3.34 3.17 -0.20 8.56 0.00 0.14 -4.69 121.76 125.41 1t31 s ALA 226 Ca 0.59 -2.04 -0.10 0.00 0.00 0.00 0.00 51.96 50.41 1t31 s ALA 226 Cb -0.11 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 1t31 s ALA 226 CO 0.49 0.03 0.12 0.08 0.00 0.00 0.00 175.76 176.49 1t31 s VAL 227 N -2.57 5.34 0.05 0.00 1.01 0.10 -1.61 120.40 122.73 1t31 s VAL 227 Ca 0.35 0.17 0.09 0.00 0.00 0.00 0.00 61.98 62.58 1t31 s VAL 227 Cb 0.02 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1t31 s VAL 227 CO 0.19 0.44 -0.24 -0.36 0.00 0.00 0.00 175.10 175.13 1t31 s PHE 228 N 0.39 2.11 0.08 5.22 0.40 -0.63 -1.13 117.98 124.42 1t31 s PHE 228 Ca 0.07 -0.40 -0.30 0.00 -0.60 0.00 0.00 56.93 55.71 1t31 s PHE 228 Cb -0.11 -1.26 -0.05 0.00 0.51 0.00 0.00 43.02 42.10 1t31 s PHE 228 CO -0.02 0.12 1.09 0.99 0.70 0.00 0.00 175.22 178.10 1t31 s THR 229 N -0.81 4.28 -0.67 0.64 2.01 0.25 0.25 115.64 121.59 1t31 s THR 229 Ca 0.10 1.73 -0.27 0.00 0.31 0.00 0.00 61.69 63.56 1t31 s THR 229 Cb -0.10 -4.11 0.03 0.00 0.01 0.00 0.00 72.50 68.33 1t31 s THR 229 CO 0.02 0.19 1.28 -0.60 -0.69 0.00 0.00 174.62 174.81 1t31 s ARG 230 N 0.58 3.29 0.33 4.92 3.52 -0.30 -1.90 118.95 129.40 1t31 s ARG 230 Ca 0.53 -0.00 0.03 0.00 -0.13 0.00 0.00 55.73 56.16 1t31 s ARG 230 Cb -0.26 -4.12 0.63 0.00 -1.56 0.00 0.00 34.95 29.63 1t31 s ARG 230 CO 0.30 -1.99 1.93 0.82 -0.81 0.00 0.00 175.30 175.55 1t31 h ILE 231 N 6.12 1.03 -0.97 4.11 2.04 -1.65 -2.82 117.51 125.38 1t31 h ILE 231 Ca -0.27 -0.31 0.15 0.00 1.00 0.00 0.00 64.86 65.43 1t31 h ILE 231 Cb 1.06 0.06 -0.09 0.00 -0.74 0.00 0.00 36.82 37.10 1t31 h ILE 231 CO 1.24 0.16 0.58 0.77 0.00 0.00 0.00 178.15 180.91 1t31 h SER 232 N 0.90 0.80 -0.03 1.72 4.64 -1.80 -0.45 113.55 119.32 1t31 h SER 232 Ca 0.36 0.07 0.01 0.00 -0.47 0.00 0.00 61.79 61.76 1t31 h SER 232 Cb 0.26 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1t31 h SER 232 CO -0.13 0.37 0.05 -0.74 -0.87 0.00 0.00 176.83 175.51 1t31 h HIS 233 N 0.85 0.00 -0.49 4.77 -0.00 -1.79 -2.68 115.15 115.82 1t31 h HIS 233 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.88 1t31 h HIS 233 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.05 1t31 h HIS 233 CO -0.02 0.00 0.00 0.66 -0.00 0.00 0.00 177.93 178.57 1t31 n TYR 234 N -3.67 1.03 -0.02 5.26 4.02 -0.18 -4.69 117.16 118.92 1t31 n TYR 234 Ca -0.02 -0.62 -0.09 0.00 -0.01 0.00 0.00 57.90 57.16 1t31 n TYR 234 Cb 0.13 -0.17 -0.03 0.00 -0.02 0.00 0.00 39.34 39.25 1t31 n TYR 234 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1t31 h GLN 235 N 3.04 -0.11 -0.48 -0.72 4.15 -1.47 -0.52 115.11 119.01 1t31 h GLN 235 Ca 0.00 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.52 1t31 h GLN 235 Cb 1.20 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 28.84 1t31 h GLN 235 CO 0.14 -0.07 0.02 -1.35 -1.93 0.00 0.00 178.83 175.63 1t31 h PRO 236 N -0.12 0.13 -0.48 -2.39 0.11 -1.85 0.20 132.00 127.61 1t31 h PRO 236 Ca 0.09 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.21 1t31 h PRO 236 Cb 0.25 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 1t31 h PRO 236 CO -0.23 0.08 0.30 2.35 -0.21 0.00 0.00 178.00 180.30 1t31 h TRP 237 N 0.13 0.57 -0.12 0.65 7.01 -1.81 -0.86 115.95 121.51 1t31 h TRP 237 Ca 0.24 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.26 1t31 h TRP 237 Cb 0.35 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.22 1t31 h TRP 237 CO -0.29 0.34 0.08 0.82 -2.79 0.00 0.00 178.44 176.60 1t31 h ILE 238 N 0.61 1.06 -0.76 2.65 2.04 -0.06 -2.33 117.51 120.71 1t31 h ILE 238 Ca 0.18 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1t31 h ILE 238 Cb -0.03 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1t31 h ILE 238 CO -0.06 0.05 0.50 0.78 0.00 0.00 0.00 178.15 179.42 1t31 h ASN 239 N 0.14 0.82 0.10 1.72 2.35 -0.33 -1.82 115.58 118.55 1t31 h ASN 239 Ca 0.04 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1t31 h ASN 239 Cb 0.02 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.19 1t31 h ASN 239 CO -0.01 0.57 -0.05 1.56 -1.65 0.00 0.00 177.43 177.86 1t31 h GLN 240 N 0.96 -0.12 -0.35 0.81 4.20 -0.77 -0.09 115.11 119.74 1t31 h GLN 240 Ca 0.29 0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.04 1t31 h GLN 240 Cb -0.00 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1t31 h GLN 240 CO -0.08 -0.08 0.18 0.82 -0.67 0.00 0.00 178.83 179.00 1t31 h ILE 241 N -0.13 0.99 -0.83 2.54 1.08 -1.02 -1.55 117.51 118.59 1t31 h ILE 241 Ca -0.01 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.31 1t31 h ILE 241 Cb 0.10 0.59 -0.04 0.00 -3.07 0.00 0.00 36.82 34.40 1t31 h ILE 241 CO 0.02 0.07 0.45 -0.07 -0.69 0.00 0.00 178.15 177.93 1t31 h LEU 242 N 0.37 1.03 -0.44 1.44 3.38 -1.17 -1.83 115.31 118.10 1t31 h LEU 242 Ca 0.15 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1t31 h LEU 242 Cb 0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1t31 h LEU 242 CO -0.10 0.82 0.21 1.56 0.09 0.00 0.00 178.44 181.03 1t31 h GLN 243 N 1.16 0.63 0.00 1.13 4.20 -0.51 -2.92 115.11 118.80 1t31 h GLN 243 Ca 0.29 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1t31 h GLN 243 Cb 0.02 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1t31 h GLN 243 CO -0.05 0.54 0.00 0.00 -0.67 0.00 0.00 178.83 178.65 1t31 n ALA 244 N -2.29 2.37 -0.62 3.87 0.00 -0.63 -5.11 120.51 118.10 1t31 n ALA 244 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1t31 n ALA 244 Cb 0.11 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1t31 n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59