#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wrv s ILE 3 N 0.00 2.99 -1.20 1.69 1.01 -1.26 -4.95 121.20 119.48 1wrv s ILE 3 Ca 0.00 0.99 -0.10 0.00 0.00 0.00 0.00 60.65 61.54 1wrv s ILE 3 Cb 0.00 -3.63 0.21 0.00 0.01 0.00 0.00 42.46 39.05 1wrv s ILE 3 CO 0.00 0.23 1.54 0.29 0.00 0.00 0.00 174.94 177.01 1wrv n LYS 4 N 0.90 3.64 0.08 2.79 4.76 -1.26 -4.74 118.16 124.34 1wrv n LYS 4 Ca -0.00 -3.94 -0.21 0.00 -2.87 0.00 0.00 58.31 51.29 1wrv n LYS 4 Cb 0.43 -2.85 -0.15 0.00 -1.84 0.00 0.00 35.03 30.62 1wrv n LYS 4 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wrv h ALA 5 N 6.34 0.14 0.00 7.82 0.00 -1.93 -3.42 119.26 128.22 1wrv h ALA 5 Ca 0.31 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1wrv h ALA 5 Cb 0.75 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1wrv h ALA 5 CO 1.35 1.01 0.00 0.41 0.00 0.00 0.00 179.25 182.02 1wrv n GLY 6 N 1.78 0.31 3.70 0.00 0.00 -1.26 -4.56 105.19 105.16 1wrv n GLY 6 Ca -0.21 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 1wrv n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wrv s LEU 7 N 0.00 4.35 -0.06 0.99 1.43 -1.26 -1.90 118.68 122.23 1wrv s LEU 7 Ca 0.00 2.28 0.06 0.00 -1.03 0.00 0.00 54.13 55.44 1wrv s LEU 7 Cb 0.00 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 1wrv s LEU 7 CO 0.00 -0.70 -0.23 -0.63 0.23 0.00 0.00 176.35 175.02 1wrv s ILE 8 N 1.67 2.28 -0.23 -0.59 1.01 -0.24 -4.75 121.20 120.35 1wrv s ILE 8 Ca 0.65 -0.99 -0.28 0.00 0.00 0.00 0.00 60.65 60.03 1wrv s ILE 8 Cb -0.36 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.28 1wrv s ILE 8 CO 0.29 0.57 1.01 0.86 0.00 0.00 0.00 174.94 177.68 1wrv s TRP 9 N -0.27 3.34 -0.29 3.97 -0.00 -0.49 -0.72 118.94 124.47 1wrv s TRP 9 Ca 0.00 1.43 0.03 0.00 -0.00 0.00 0.00 56.10 57.56 1wrv s TRP 9 Cb -0.13 -3.24 0.08 0.00 -0.00 0.00 0.00 33.47 30.18 1wrv s TRP 9 CO 0.03 -0.46 -0.03 -1.64 -0.00 0.00 0.00 176.95 174.85 1wrv s MET 10 N 3.12 1.80 -1.40 5.86 -1.94 0.44 -1.09 119.30 126.10 1wrv s MET 10 Ca 0.43 -1.54 -0.14 0.00 -1.71 0.00 0.00 55.69 52.73 1wrv s MET 10 Cb -0.15 -2.97 0.02 0.00 2.01 0.00 0.00 34.83 33.74 1wrv s MET 10 CO 0.07 -0.75 0.32 0.09 -0.01 0.00 0.00 175.02 174.74 1wrv n ASN 11 N 4.39 -1.31 0.00 3.03 3.02 0.65 -2.70 115.26 122.34 1wrv n ASN 11 Ca -0.06 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 1wrv n ASN 11 Cb 0.42 -1.78 0.00 0.00 -0.61 0.00 0.00 39.78 37.81 1wrv n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wrv n GLY 12 N -2.33 2.62 3.01 7.41 0.00 -1.26 -5.04 105.19 109.60 1wrv n GLY 12 Ca -0.24 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 1wrv n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wrv s ALA 13 N -2.42 -0.03 0.15 4.61 0.00 -1.10 -5.14 121.76 117.84 1wrv s ALA 13 Ca 0.00 -0.37 -0.27 0.00 0.00 0.00 0.00 51.96 51.31 1wrv s ALA 13 Cb 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 23.12 23.16 1wrv s ALA 13 CO 0.00 -0.15 0.85 -0.06 0.00 0.00 0.00 175.76 176.40 1wrv s PHE 14 N -1.24 3.87 0.04 0.00 0.40 -1.26 -0.42 117.98 119.37 1wrv s PHE 14 Ca -0.14 1.70 -0.01 0.00 -0.60 0.00 0.00 56.93 57.89 1wrv s PHE 14 Cb -0.08 -2.89 -0.03 0.00 0.51 0.00 0.00 43.02 40.53 1wrv s PHE 14 CO -0.00 0.39 -0.03 0.14 0.70 0.00 0.00 175.22 176.41 1wrv s VAL 15 N -0.68 0.21 0.56 -0.44 -7.23 0.10 -4.93 120.40 107.99 1wrv s VAL 15 Ca 0.40 -1.53 -0.21 0.00 -1.81 0.00 0.00 61.98 58.82 1wrv s VAL 15 Cb -0.23 -1.14 -0.05 0.00 0.56 0.00 0.00 36.38 35.53 1wrv s VAL 15 CO 0.28 -0.84 1.29 -2.65 -0.31 0.00 0.00 175.10 172.87 1wrv n PRO 16 N 0.57 1.51 -0.33 4.82 -0.02 -1.26 -1.07 135.00 139.21 1wrv n PRO 16 Ca -0.17 0.56 0.16 0.00 -2.02 0.00 0.00 63.50 62.03 1wrv n PRO 16 Cb 0.59 -2.49 0.37 0.00 -0.02 0.00 0.00 33.50 31.94 1wrv n PRO 16 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1wrv h GLN 17 N 1.21 0.50 -0.70 -0.52 4.15 -1.74 0.15 115.11 118.16 1wrv h GLN 17 Ca -0.50 -0.03 0.19 0.00 0.77 0.00 0.00 58.65 59.08 1wrv h GLN 17 Cb 1.32 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.86 1wrv h GLN 17 CO 0.56 0.33 0.50 1.05 -1.93 0.00 0.00 178.83 179.34 1wrv h GLU 18 N 0.52 0.08 -0.02 1.69 4.11 -1.88 0.47 114.58 119.55 1wrv h GLU 18 Ca 0.62 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.05 1wrv h GLU 18 Cb 1.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1wrv h GLU 18 CO -0.50 0.05 -0.24 0.39 0.07 0.00 0.00 179.01 178.79 1wrv n GLU 19 N -4.37 1.45 -2.12 1.06 1.02 0.52 -4.65 120.64 113.56 1wrv n GLU 19 Ca 0.14 -1.09 -0.42 0.00 -0.02 0.00 0.00 57.16 55.76 1wrv n GLU 19 Cb 0.72 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 1wrv n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wrv n ALA 20 N 0.18 5.11 -2.35 0.62 0.00 0.16 -4.91 120.51 119.31 1wrv n ALA 20 Ca 0.13 -4.04 -0.18 0.00 0.00 0.00 0.00 53.44 49.34 1wrv n ALA 20 Cb 0.45 -3.33 -0.10 0.00 0.00 0.00 0.00 19.45 16.47 1wrv n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wrv s LYS 21 N 2.31 1.35 0.04 0.00 1.02 -1.26 -5.04 119.74 118.16 1wrv s LYS 21 Ca 0.45 -1.64 -0.03 0.00 0.02 0.00 0.00 55.97 54.77 1wrv s LYS 21 Cb 0.10 -0.97 -0.02 0.00 -0.52 0.00 0.00 37.83 36.42 1wrv s LYS 21 CO -0.03 0.08 0.04 -0.08 -0.92 0.00 0.00 175.35 174.43 1wrv s THR 22 N -3.12 0.15 0.34 2.17 -1.32 -1.26 -5.14 115.64 107.46 1wrv s THR 22 Ca 0.25 -1.21 -0.28 0.00 -1.21 0.00 0.00 61.69 59.24 1wrv s THR 22 Cb 0.02 -0.87 -0.12 0.00 -1.51 0.00 0.00 72.50 70.01 1wrv s THR 22 CO 0.08 -0.67 1.21 -0.24 -2.21 0.00 0.00 174.62 172.79 1wrv n SER 23 N 0.83 2.36 0.00 8.08 2.88 -1.26 -4.84 113.62 121.67 1wrv n SER 23 Ca -0.19 1.19 0.11 0.00 -1.33 0.00 0.00 58.87 58.65 1wrv n SER 23 Cb 0.58 -1.44 0.64 0.00 -0.75 0.00 0.00 64.21 63.25 1wrv n SER 23 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1wrv n VAL 24 N 0.25 0.03 -0.52 2.46 0.24 -1.26 -1.59 118.33 117.94 1wrv n VAL 24 Ca 0.06 0.01 0.10 0.00 -2.04 0.00 0.00 64.34 62.47 1wrv n VAL 24 Cb 0.35 -0.67 0.34 0.00 -1.47 0.00 0.00 33.84 32.39 1wrv n VAL 24 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1wrv n LEU 25 N -1.03 4.37 -4.71 1.34 4.77 -1.26 -4.89 117.00 115.59 1wrv n LEU 25 Ca 0.16 -2.26 -0.42 0.00 -0.03 0.00 0.00 56.01 53.46 1wrv n LEU 25 Cb 0.08 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.61 1wrv n LEU 25 CO 0.13 0.88 1.11 -0.44 -1.33 0.00 0.00 177.39 177.73 1wrv s SER 26 N -0.97 6.77 0.25 -1.43 0.01 -0.62 -4.19 113.70 113.52 1wrv s SER 26 Ca 0.49 2.38 -0.08 0.00 1.31 0.00 0.00 55.95 60.05 1wrv s SER 26 Cb 0.29 -2.59 0.43 0.00 0.21 0.00 0.00 66.02 64.36 1wrv s SER 26 CO 0.28 -0.70 1.61 -0.74 0.41 0.00 0.00 173.24 174.10 1wrv h HIS 27 N 6.89 -0.22 0.00 2.43 2.76 -0.58 0.65 115.15 127.08 1wrv h HIS 27 Ca -0.42 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 57.80 1wrv h HIS 27 Cb 1.21 0.22 -0.00 0.00 1.55 0.00 0.00 27.41 30.39 1wrv h HIS 27 CO 0.66 -0.31 -0.06 0.00 -1.30 0.00 0.00 177.93 176.93 1wrv h ALA 28 N 1.78 1.46 0.00 5.26 0.00 -1.57 0.10 119.26 126.29 1wrv h ALA 28 Ca 0.42 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1wrv h ALA 28 Cb 0.72 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1wrv h ALA 28 CO -0.76 0.07 -0.13 1.25 0.00 0.00 0.00 179.25 179.68 1wrv h LEU 29 N 0.00 0.00 0.00 0.00 5.85 -1.14 -2.45 115.31 117.57 1wrv h LEU 29 Ca -0.00 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.39 1wrv h LEU 29 Cb 0.14 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1wrv h LEU 29 CO 0.01 0.13 -2.24 1.41 -0.34 0.00 0.00 178.44 177.40 1wrv n HIS 30 N -3.16 0.00 -0.60 1.25 8.25 -0.54 -4.72 115.22 115.70 1wrv n HIS 30 Ca 0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.51 1wrv n HIS 30 Cb 0.51 -0.89 0.04 0.00 1.12 0.00 0.00 29.99 30.77 1wrv n HIS 30 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1wrv n TYR 31 N -2.70 0.00 -1.37 4.41 0.53 0.24 -5.01 117.16 113.27 1wrv n TYR 31 Ca -0.30 -0.50 -0.13 0.00 -1.02 0.00 0.00 57.90 55.95 1wrv n TYR 31 Cb 1.08 -0.07 -0.05 0.00 -1.03 0.00 0.00 39.34 39.27 1wrv n TYR 31 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1wrv n GLY 32 N -0.62 1.31 2.69 2.72 0.00 -0.92 -4.80 105.19 105.56 1wrv n GLY 32 Ca 0.04 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1wrv n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wrv n THR 33 N -2.49 3.87 -4.16 2.61 -2.24 -1.25 -1.29 114.28 109.33 1wrv n THR 33 Ca -0.13 -3.33 -0.10 0.00 -2.27 0.00 0.00 64.05 58.22 1wrv n THR 33 Cb 0.49 -2.53 -0.10 0.00 -2.10 0.00 0.00 70.33 66.09 1wrv n THR 33 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wrv s SER 34 N 2.37 0.28 0.03 3.42 1.04 -1.26 -2.32 113.70 117.26 1wrv s SER 34 Ca 0.49 -1.25 0.01 0.00 0.48 0.00 0.00 55.95 55.68 1wrv s SER 34 Cb 0.14 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 1wrv s SER 34 CO -0.06 -0.75 -0.06 0.68 0.98 0.00 0.00 173.24 174.02 1wrv s VAL 35 N -4.07 0.38 0.29 5.02 -7.23 0.07 -0.52 120.40 114.35 1wrv s VAL 35 Ca 0.28 -0.86 -0.05 0.00 -1.81 0.00 0.00 61.98 59.54 1wrv s VAL 35 Cb 0.07 -0.45 -0.01 0.00 0.56 0.00 0.00 36.38 36.56 1wrv s VAL 35 CO 0.04 -0.33 0.42 0.72 -0.31 0.00 0.00 175.10 175.64 1wrv s PHE 36 N -1.16 0.90 0.12 2.82 -0.12 -0.64 -1.39 117.98 118.51 1wrv s PHE 36 Ca -0.09 -1.16 -0.01 0.00 -0.05 0.00 0.00 56.93 55.62 1wrv s PHE 36 Cb -0.08 -0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.16 1wrv s PHE 36 CO -0.00 -1.01 0.04 -1.21 -0.05 0.00 0.00 175.22 172.99 1wrv s GLU 37 N -3.51 0.88 -0.14 1.99 0.41 -1.03 -4.65 118.70 112.64 1wrv s GLU 37 Ca 0.30 -1.40 -0.01 0.00 -0.41 0.00 0.00 54.97 53.45 1wrv s GLU 37 Cb 0.01 0.24 0.04 0.00 -1.78 0.00 0.00 34.13 32.63 1wrv s GLU 37 CO 0.16 -0.24 -0.04 0.20 -0.49 0.00 0.00 175.26 174.85 1wrv s GLY 38 N -3.03 0.83 0.01 -1.39 0.00 -1.26 -3.74 107.32 98.75 1wrv s GLY 38 Ca 0.21 -0.65 0.03 0.00 0.00 0.00 0.00 44.72 44.32 1wrv s GLY 38 CO -0.00 0.98 -0.11 -0.42 0.00 0.00 0.00 173.10 173.55 1wrv s ILE 39 N 1.72 0.86 0.13 0.90 1.01 -0.35 -4.90 121.20 120.56 1wrv s ILE 39 Ca 0.02 -0.64 0.11 0.00 0.00 0.00 0.00 60.65 60.14 1wrv s ILE 39 Cb -0.14 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 1wrv s ILE 39 CO -0.07 0.11 -0.26 -0.13 0.00 0.00 0.00 174.94 174.59 1wrv s ARG 40 N -0.59 1.47 -0.06 2.79 0.52 -1.26 0.11 118.95 121.92 1wrv s ARG 40 Ca 0.02 -1.32 0.05 0.00 -0.52 0.00 0.00 55.73 53.97 1wrv s ARG 40 Cb -0.05 -1.93 -0.02 0.00 0.52 0.00 0.00 34.95 33.47 1wrv s ARG 40 CO 0.00 0.46 -0.22 0.00 0.02 0.00 0.00 175.30 175.56 1wrv s ALA 41 N -1.07 2.29 0.11 2.13 0.00 -0.58 -1.10 121.76 123.55 1wrv s ALA 41 Ca 0.15 -1.03 0.10 0.00 0.00 0.00 0.00 51.96 51.17 1wrv s ALA 41 Cb -0.10 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1wrv s ALA 41 CO 0.07 0.45 -0.25 0.71 0.00 0.00 0.00 175.76 176.73 1wrv s TYR 42 N -0.29 2.15 0.19 0.00 1.51 -0.19 -1.74 117.35 118.98 1wrv s TYR 42 Ca 0.01 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 1wrv s TYR 42 Cb -0.13 -1.18 -0.08 0.00 -0.11 0.00 0.00 41.96 40.47 1wrv s TYR 42 CO 0.03 0.28 0.99 -2.00 -1.11 0.00 0.00 175.55 173.73 1wrv s GLU 43 N -1.92 4.74 0.38 -0.62 2.56 -1.18 -0.44 118.70 122.22 1wrv s GLU 43 Ca 0.11 1.54 0.04 0.00 0.00 0.00 0.00 54.97 56.66 1wrv s GLU 43 Cb -0.10 -3.31 -0.03 0.00 2.00 0.00 0.00 34.13 32.69 1wrv s GLU 43 CO 0.05 0.31 0.12 0.95 -0.56 0.00 0.00 175.26 176.13 1wrv s THR 44 N -0.60 0.67 0.34 -1.70 -4.23 -0.80 -4.73 115.64 104.59 1wrv s THR 44 Ca 0.45 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 59.34 1wrv s THR 44 Cb -0.26 -2.44 0.41 0.00 1.34 0.00 0.00 72.50 71.55 1wrv s THR 44 CO 0.32 0.00 2.15 0.00 -0.54 0.00 0.00 174.62 176.56 1wrv h ALA 45 N 1.89 1.00 -0.63 3.99 0.00 -1.92 -1.98 119.26 121.61 1wrv h ALA 45 Ca -0.36 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.21 1wrv h ALA 45 Cb 1.27 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.86 1wrv h ALA 45 CO 0.58 0.00 0.21 1.63 0.00 0.00 0.00 179.25 181.67 1wrv n LYS 46 N -3.03 2.06 0.00 0.00 5.02 -1.26 -5.08 118.16 115.88 1wrv n LYS 46 Ca -0.01 -3.16 0.00 0.00 -2.02 0.00 0.00 58.31 53.12 1wrv n LYS 46 Cb 0.18 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 1wrv n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wrv n GLY 47 N -1.12 -2.92 3.77 0.72 0.00 -0.74 -4.72 105.19 100.17 1wrv n GLY 47 Ca 0.45 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 1wrv n GLY 47 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wrv n PRO 48 N -0.46 2.67 -4.07 1.61 -0.02 -1.26 -1.91 135.00 131.56 1wrv n PRO 48 Ca 0.00 0.94 -0.24 0.00 -2.02 0.00 0.00 63.50 62.18 1wrv n PRO 48 Cb 0.00 -2.68 -0.17 0.00 -0.02 0.00 0.00 33.50 30.63 1wrv n PRO 48 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wrv s ALA 49 N -0.85 0.99 0.04 3.55 0.00 0.42 -1.77 121.76 124.14 1wrv s ALA 49 Ca 0.56 -0.29 -0.28 0.00 0.00 0.00 0.00 51.96 51.94 1wrv s ALA 49 Cb -0.48 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 21.92 1wrv s ALA 49 CO 0.60 -0.22 0.90 0.42 0.00 0.00 0.00 175.76 177.46 1wrv s ILE 50 N 1.36 4.74 -0.24 0.00 1.01 -0.13 -1.02 121.20 126.92 1wrv s ILE 50 Ca -0.03 1.90 -0.22 0.00 0.00 0.00 0.00 60.65 62.30 1wrv s ILE 50 Cb -0.14 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 1wrv s ILE 50 CO -0.03 0.27 0.72 0.12 0.00 0.00 0.00 174.94 176.02 1wrv s PHE 51 N 0.42 3.31 -1.31 3.97 5.36 -0.26 -1.60 117.98 127.88 1wrv s PHE 51 Ca 0.46 0.98 -0.16 0.00 -0.96 0.00 0.00 56.93 57.25 1wrv s PHE 51 Cb -0.21 -2.93 0.01 0.00 -0.34 0.00 0.00 43.02 39.55 1wrv s PHE 51 CO 0.26 -0.33 0.52 0.54 -1.46 0.00 0.00 175.22 174.75 1wrv n ARG 52 N 5.71 -1.40 -0.02 10.12 1.74 0.15 -4.67 116.66 128.29 1wrv n ARG 52 Ca 0.02 0.26 -0.09 0.00 -0.77 0.00 0.00 57.85 57.27 1wrv n ARG 52 Cb 0.48 -3.64 -0.04 0.00 -1.02 0.00 0.00 32.46 28.25 1wrv n ARG 52 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1wrv h LEU 53 N -2.09 -0.07 -0.99 0.55 5.85 -1.78 -2.51 115.31 114.27 1wrv h LEU 53 Ca -0.67 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.04 1wrv h LEU 53 Cb 1.39 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 1wrv h LEU 53 CO 0.57 -0.02 0.18 0.11 -0.34 0.00 0.00 178.44 178.95 1wrv h LYS 54 N 0.04 0.91 -0.60 1.25 1.57 -1.95 -0.61 116.57 117.18 1wrv h LYS 54 Ca 0.07 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1wrv h LYS 54 Cb 0.09 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1wrv h LYS 54 CO -0.13 0.79 0.06 0.93 -0.57 0.00 0.00 179.45 180.53 1wrv h GLU 55 N 0.89 1.01 -0.43 3.15 4.39 -1.91 0.03 114.58 121.70 1wrv h GLU 55 Ca 0.20 -0.28 -0.15 0.00 0.34 0.00 0.00 59.36 59.47 1wrv h GLU 55 Cb 0.27 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1wrv h GLU 55 CO -0.01 0.95 -0.31 0.45 -1.16 0.00 0.00 179.01 178.94 1wrv h HIS 56 N 0.94 1.14 -0.51 4.33 3.86 -1.03 -2.06 115.15 121.81 1wrv h HIS 56 Ca 0.18 -0.31 -0.11 0.00 -1.16 0.00 0.00 60.37 58.97 1wrv h HIS 56 Cb 0.46 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 1wrv h HIS 56 CO 0.03 1.15 -0.11 0.28 0.86 0.00 0.00 177.93 180.14 1wrv h VAL 57 N 0.81 1.27 -0.59 2.45 2.07 -0.93 -1.25 116.25 120.09 1wrv h VAL 57 Ca 0.08 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1wrv h VAL 57 Cb 0.90 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1wrv h VAL 57 CO 0.08 0.44 0.38 0.50 0.02 0.00 0.00 177.57 178.99 1wrv h LYS 58 N 0.86 0.78 -0.22 1.57 3.64 -0.87 -1.93 116.57 120.40 1wrv h LYS 58 Ca 0.14 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1wrv h LYS 58 Cb 0.66 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1wrv h LYS 58 CO 0.05 0.53 -0.19 -0.09 -2.27 0.00 0.00 179.45 177.48 1wrv h ARG 59 N 0.80 0.38 -0.18 1.90 2.43 -1.09 -0.61 114.38 118.00 1wrv h ARG 59 Ca 0.22 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1wrv h ARG 59 Cb -0.07 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1wrv h ARG 59 CO -0.05 0.56 0.08 0.35 -1.51 0.00 0.00 179.97 179.40 1wrv h PHE 60 N 0.35 0.15 -0.18 2.20 3.57 -0.53 0.33 116.94 122.83 1wrv h PHE 60 Ca 0.06 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 1wrv h PHE 60 Cb 0.53 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1wrv h PHE 60 CO 0.01 0.08 -0.38 1.88 -2.23 0.00 0.00 178.31 177.67 1wrv h TYR 61 N 0.18 0.47 -0.67 0.41 -1.99 -1.08 -2.27 116.97 112.03 1wrv h TYR 61 Ca 0.07 -0.13 -0.08 0.00 2.00 0.00 0.00 58.73 60.60 1wrv h TYR 61 Cb 0.03 -0.10 -0.03 0.00 2.00 0.00 0.00 36.73 38.63 1wrv h TYR 61 CO -0.10 0.73 0.11 -0.91 -0.00 0.00 0.00 178.16 177.99 1wrv h ASN 62 N 0.34 1.06 -0.78 3.88 -0.26 -0.47 -1.48 115.58 117.87 1wrv h ASN 62 Ca 0.03 -0.26 -0.05 0.00 -0.56 0.00 0.00 56.30 55.47 1wrv h ASN 62 Cb 0.83 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 37.77 1wrv h ASN 62 CO 0.07 1.05 0.30 0.28 -1.06 0.00 0.00 177.43 178.06 1wrv h SER 63 N 1.02 1.08 -0.71 5.81 0.02 -0.09 -2.53 113.55 118.15 1wrv h SER 63 Ca 0.20 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1wrv h SER 63 Cb 0.44 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1wrv h SER 63 CO 0.01 0.97 0.39 0.00 -1.14 0.00 0.00 176.83 177.06 1wrv h ALA 64 N 1.16 0.91 -0.41 3.77 0.00 -1.03 -2.38 119.26 121.27 1wrv h ALA 64 Ca 0.26 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1wrv h ALA 64 Cb 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1wrv h ALA 64 CO -0.02 0.43 0.25 -0.22 0.00 0.00 0.00 179.25 179.69 1wrv h LYS 65 N 0.98 0.55 -0.66 0.00 3.64 -0.88 0.20 116.57 120.40 1wrv h LYS 65 Ca 0.25 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1wrv h LYS 65 Cb 0.04 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1wrv h LYS 65 CO -0.04 0.39 0.43 0.28 -2.27 0.00 0.00 179.45 178.23 1wrv h VAL 66 N 0.56 1.17 -0.17 2.00 2.07 -1.08 -1.27 116.25 119.54 1wrv h VAL 66 Ca 0.15 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1wrv h VAL 66 Cb -0.02 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1wrv h VAL 66 CO -0.03 0.17 0.00 0.18 0.02 0.00 0.00 177.57 177.91 1wrv n LEU 67 N -4.43 2.11 -2.98 2.57 4.77 -0.59 -4.91 117.00 113.53 1wrv n LEU 67 Ca 0.07 -0.84 -0.22 0.00 -0.03 0.00 0.00 56.01 54.98 1wrv n LEU 67 Cb 0.04 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1wrv n LEU 67 CO 0.36 0.42 -0.03 0.54 -1.33 0.00 0.00 177.39 177.35 1wrv n ARG 68 N 0.62 -4.47 -3.30 3.23 1.74 -0.48 -4.92 116.66 109.08 1wrv n ARG 68 Ca 0.17 0.88 -0.38 0.00 -0.77 0.00 0.00 57.85 57.75 1wrv n ARG 68 Cb 0.41 -5.72 -0.06 0.00 -1.02 0.00 0.00 32.46 26.08 1wrv n ARG 68 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1wrv s MET 69 N -5.66 4.19 -0.26 5.56 1.75 -0.06 -4.90 119.30 119.93 1wrv s MET 69 Ca 0.28 0.66 -0.09 0.00 -1.25 0.00 0.00 55.69 55.29 1wrv s MET 69 Cb -0.13 -3.27 -0.04 0.00 2.84 0.00 0.00 34.83 34.23 1wrv s MET 69 CO 0.35 0.56 0.13 -1.21 -0.65 0.00 0.00 175.02 174.19 1wrv s GLU 70 N -0.78 3.83 -0.41 4.11 0.41 -1.26 -4.35 118.70 120.24 1wrv s GLU 70 Ca 0.28 -0.39 -0.17 0.00 -0.41 0.00 0.00 54.97 54.28 1wrv s GLU 70 Cb -0.18 -3.47 0.02 0.00 -1.78 0.00 0.00 34.13 28.71 1wrv s GLU 70 CO 0.17 -0.14 0.43 0.42 -0.49 0.00 0.00 175.26 175.65 1wrv s ILE 71 N 1.56 5.10 0.00 -1.63 1.01 -1.26 -0.25 121.20 125.72 1wrv s ILE 71 Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1wrv s ILE 71 Cb -0.15 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.30 1wrv s ILE 71 CO 0.07 -0.38 0.70 -0.81 0.00 0.00 0.00 174.94 174.52 1wrv n PRO 72 N 5.57 0.63 -3.95 2.79 -0.04 -1.26 -4.74 135.00 134.00 1wrv n PRO 72 Ca -0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.29 1wrv n PRO 72 Cb 0.48 -1.18 -0.10 0.00 -0.04 0.00 0.00 33.50 32.65 1wrv n PRO 72 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1wrv s PHE 73 N 0.41 0.21 0.38 0.54 0.40 -1.26 -5.13 117.98 113.54 1wrv s PHE 73 Ca 0.00 -0.46 -0.19 0.00 -0.60 0.00 0.00 56.93 55.68 1wrv s PHE 73 Cb 0.00 -0.16 -0.10 0.00 0.51 0.00 0.00 43.02 43.27 1wrv s PHE 73 CO 0.00 -0.24 0.87 0.00 0.70 0.00 0.00 175.22 176.55 1wrv s ALA 74 N -1.68 3.16 0.27 5.36 0.00 -1.26 -4.92 121.76 122.68 1wrv s ALA 74 Ca -0.13 0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.09 1wrv s ALA 74 Cb -0.08 -3.01 0.58 0.00 0.00 0.00 0.00 23.12 20.62 1wrv s ALA 74 CO -0.01 0.21 1.70 -1.35 0.00 0.00 0.00 175.76 176.31 1wrv h PRO 75 N 2.15 0.37 -0.91 0.00 0.11 -1.98 0.16 132.00 131.90 1wrv h PRO 75 Ca -0.48 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.72 1wrv h PRO 75 Cb 1.18 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 32.14 1wrv h PRO 75 CO 0.63 0.24 0.58 1.05 -0.21 0.00 0.00 178.00 180.29 1wrv h GLU 76 N 0.38 0.81 -0.34 1.05 9.09 -1.99 0.14 114.58 123.72 1wrv h GLU 76 Ca 0.48 -0.05 -0.10 0.00 0.05 0.00 0.00 59.36 59.74 1wrv h GLU 76 Cb 0.84 -0.18 -0.01 0.00 -1.65 0.00 0.00 28.75 27.75 1wrv h GLU 76 CO -0.49 0.54 -0.19 0.93 0.05 0.00 0.00 179.01 179.85 1wrv h GLU 77 N 0.84 0.73 -0.62 1.06 5.08 -1.08 -2.09 114.58 118.50 1wrv h GLU 77 Ca 0.44 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1wrv h GLU 77 Cb 0.53 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1wrv h GLU 77 CO -0.20 0.94 0.08 1.25 -1.00 0.00 0.00 179.01 180.07 1wrv h LEU 78 N 0.51 1.00 -1.11 1.33 5.85 -0.65 -1.18 115.31 121.06 1wrv h LEU 78 Ca 0.07 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 1wrv h LEU 78 Cb 0.73 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1wrv h LEU 78 CO 0.05 1.01 0.10 -0.33 -0.34 0.00 0.00 178.44 178.93 1wrv h GLU 79 N 0.97 0.74 -0.41 1.25 5.08 -0.68 -0.16 114.58 121.36 1wrv h GLU 79 Ca 0.19 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 1wrv h GLU 79 Cb 0.45 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1wrv h GLU 79 CO 0.02 0.68 -0.34 1.49 -1.00 0.00 0.00 179.01 179.85 1wrv h GLU 80 N 0.71 0.95 -0.79 2.33 4.57 -0.97 -1.95 114.58 119.42 1wrv h GLU 80 Ca 0.16 -0.48 -0.04 0.00 -1.18 0.00 0.00 59.36 57.82 1wrv h GLU 80 Cb 0.28 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.84 1wrv h GLU 80 CO -0.00 1.14 0.32 0.00 -1.18 0.00 0.00 179.01 179.29 1wrv h ALA 81 N 0.79 1.03 -0.44 2.92 0.00 -0.67 0.51 119.26 123.40 1wrv h ALA 81 Ca 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1wrv h ALA 81 Cb 0.94 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1wrv h ALA 81 CO 0.09 0.65 0.15 0.82 0.00 0.00 0.00 179.25 180.96 1wrv h ILE 82 N 1.15 1.22 -0.69 0.00 2.04 -0.89 0.14 117.51 120.48 1wrv h ILE 82 Ca 0.27 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 1wrv h ILE 82 Cb 0.21 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1wrv h ILE 82 CO -0.02 0.25 0.22 0.11 0.00 0.00 0.00 178.15 178.71 1wrv h LYS 83 N 0.57 1.07 -0.03 2.37 1.57 -1.03 -2.89 116.57 118.19 1wrv h LYS 83 Ca 0.14 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 1wrv h LYS 83 Cb 0.24 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1wrv h LYS 83 CO -0.01 0.92 -0.43 0.93 -0.57 0.00 0.00 179.45 180.30 1wrv h GLU 84 N 1.01 0.07 0.00 3.15 5.08 -0.54 -1.78 114.58 121.56 1wrv h GLU 84 Ca 0.22 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1wrv h GLU 84 Cb 0.29 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1wrv h GLU 84 CO -0.01 0.49 -0.26 -0.24 -1.00 0.00 0.00 179.01 177.99 1wrv h VAL 85 N 0.06 0.92 0.00 3.13 3.04 -0.51 -0.01 116.25 122.88 1wrv h VAL 85 Ca 0.00 -0.97 -0.00 0.00 -1.01 0.00 0.00 66.70 64.72 1wrv h VAL 85 Cb 0.78 1.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 1wrv h VAL 85 CO 0.06 0.25 -0.00 0.58 -1.01 0.00 0.00 177.57 177.45 1wrv h VAL 86 N 0.00 1.64 0.57 1.51 2.07 -1.40 -3.25 116.25 117.40 1wrv h VAL 86 Ca -0.00 -2.14 -0.02 0.00 0.82 0.00 0.00 66.70 65.36 1wrv h VAL 86 Cb 0.55 3.05 -0.02 0.00 -1.52 0.00 0.00 31.29 33.35 1wrv h VAL 86 CO 0.03 0.54 -0.49 0.03 0.02 0.00 0.00 177.57 177.71 1wrv h ARG 87 N -0.95 -1.00 -0.72 1.57 3.08 -1.10 -2.11 114.38 113.16 1wrv h ARG 87 Ca -0.00 0.07 0.13 0.00 0.07 0.00 0.00 59.98 60.25 1wrv h ARG 87 Cb 0.89 0.23 -0.05 0.00 0.08 0.00 0.00 29.97 31.12 1wrv h ARG 87 CO 0.00 -0.67 0.48 0.00 -1.07 0.00 0.00 179.97 178.71 1wrv h ARG 88 N -1.04 0.42 -0.01 0.04 3.08 -1.18 -0.74 114.38 114.95 1wrv h ARG 88 Ca -0.07 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1wrv h ARG 88 Cb 0.88 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1wrv h ARG 88 CO -0.02 0.28 -0.15 0.09 -1.07 0.00 0.00 179.97 179.10 1wrv n ASN 89 N -4.48 1.27 -1.39 7.04 3.02 -1.17 -4.94 115.26 114.61 1wrv n ASN 89 Ca 0.13 -1.17 -0.13 0.00 -0.03 0.00 0.00 54.58 53.38 1wrv n ASN 89 Cb 0.48 0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.71 1wrv n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wrv n GLY 90 N 1.27 0.21 3.79 7.41 0.00 -0.28 -4.99 105.19 112.60 1wrv n GLY 90 Ca 0.15 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1wrv n GLY 90 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wrv s TYR 91 N -2.62 3.11 -0.05 1.61 4.12 -0.85 -4.99 117.35 117.68 1wrv s TYR 91 Ca 0.00 1.60 -0.04 0.00 0.02 0.00 0.00 57.07 58.66 1wrv s TYR 91 Cb 0.00 -3.07 -0.03 0.00 -1.52 0.00 0.00 41.96 37.34 1wrv s TYR 91 CO 0.00 -0.71 -0.09 0.54 0.02 0.00 0.00 175.55 175.31 1wrv n ARG 92 N -0.63 0.14 -3.96 -0.62 1.74 -1.26 -4.80 116.66 107.26 1wrv n ARG 92 Ca 0.08 0.06 -0.29 0.00 -0.77 0.00 0.00 57.85 56.93 1wrv n ARG 92 Cb 0.52 -0.74 -0.16 0.00 -1.02 0.00 0.00 32.46 31.05 1wrv n ARG 92 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wrv s SER 93 N -5.67 2.77 0.24 0.55 1.04 -1.26 -3.12 113.70 108.25 1wrv s SER 93 Ca -0.09 -0.58 -0.13 0.00 0.48 0.00 0.00 55.95 55.63 1wrv s SER 93 Cb 0.03 -1.07 -0.00 0.00 0.10 0.00 0.00 66.02 65.08 1wrv s SER 93 CO 0.12 -0.12 0.48 0.00 0.98 0.00 0.00 173.24 174.70 1wrv s TYR 95 N -4.01 3.03 -0.15 0.00 5.04 0.22 -1.52 117.35 119.96 1wrv s TYR 95 Ca 0.21 -0.29 -0.03 0.00 -2.44 0.00 0.00 57.07 54.53 1wrv s TYR 95 Cb -0.01 -1.96 -0.02 0.00 0.35 0.00 0.00 41.96 40.32 1wrv s TYR 95 CO 0.08 -0.03 -0.06 0.42 -1.34 0.00 0.00 175.55 174.62 1wrv s ILE 96 N 0.36 3.67 -0.45 3.14 1.01 0.29 -1.69 121.20 127.54 1wrv s ILE 96 Ca -0.04 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.21 1wrv s ILE 96 Cb -0.14 -2.59 0.12 0.00 0.01 0.00 0.00 42.46 39.86 1wrv s ILE 96 CO 0.03 0.50 0.20 -0.60 0.00 0.00 0.00 174.94 175.07 1wrv s ARG 97 N 0.35 1.63 0.39 2.79 6.06 0.16 -1.21 118.95 129.11 1wrv s ARG 97 Ca -0.06 -2.22 -0.23 0.00 -2.50 0.00 0.00 55.73 50.72 1wrv s ARG 97 Cb -0.15 -2.99 -0.10 0.00 0.06 0.00 0.00 34.95 31.77 1wrv s ARG 97 CO 0.04 -1.07 0.97 -2.14 -2.50 0.00 0.00 175.30 170.60 1wrv s PRO 98 N 0.24 4.31 -0.13 5.12 0.02 -1.25 -2.44 135.00 140.88 1wrv s PRO 98 Ca 0.15 1.28 -0.07 0.00 0.02 0.00 0.00 61.00 62.38 1wrv s PRO 98 Cb -0.24 -2.45 0.05 0.00 0.02 0.00 0.00 34.50 31.88 1wrv s PRO 98 CO -0.03 0.03 0.31 -1.17 -0.33 0.00 0.00 177.00 175.80 1wrv s LEU 99 N -2.72 0.34 -0.09 -5.54 2.96 0.72 -2.48 118.68 111.88 1wrv s LEU 99 Ca 0.58 0.65 0.04 0.00 -0.22 0.00 0.00 54.13 55.17 1wrv s LEU 99 Cb -0.15 0.98 0.00 0.00 0.50 0.00 0.00 46.19 47.52 1wrv s LEU 99 CO 0.20 -0.16 -0.21 0.00 -1.32 0.00 0.00 176.35 174.86 1wrv s ALA 100 N 1.09 1.95 0.03 5.97 0.00 -0.48 -0.61 121.76 129.70 1wrv s ALA 100 Ca -0.08 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 1wrv s ALA 100 Cb -0.08 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 1wrv s ALA 100 CO -0.08 0.24 -0.01 1.67 0.00 0.00 0.00 175.76 177.58 1wrv s TRP 101 N 0.43 0.35 0.01 0.00 -2.14 0.01 -0.75 118.94 116.84 1wrv s TRP 101 Ca -0.18 -0.72 -0.30 0.00 2.66 0.00 0.00 56.10 57.56 1wrv s TRP 101 Cb -0.17 -0.26 -0.03 0.00 -3.10 0.00 0.00 33.47 29.91 1wrv s TRP 101 CO 0.08 -0.28 0.99 -1.64 -2.66 0.00 0.00 176.95 173.43 1wrv s MET 102 N -2.51 4.56 0.00 3.25 -1.94 -0.98 -0.77 119.30 120.90 1wrv s MET 102 Ca -0.06 1.44 0.00 0.00 -1.71 0.00 0.00 55.69 55.36 1wrv s MET 102 Cb -0.02 -3.45 0.00 0.00 2.01 0.00 0.00 34.83 33.37 1wrv s MET 102 CO -0.05 -0.05 0.00 0.41 -0.01 0.00 0.00 175.02 175.32 1wrv n GLY 103 N 2.90 -0.52 1.96 -0.03 0.00 -1.26 -1.83 105.19 106.41 1wrv n GLY 103 Ca 0.06 -1.67 -0.20 0.00 0.00 0.00 0.00 46.02 44.21 1wrv n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wrv n ALA 104 N -3.00 5.02 0.14 4.61 0.00 -1.26 -0.75 120.51 125.28 1wrv n ALA 104 Ca 0.00 -2.26 -0.00 0.00 0.00 0.00 0.00 53.44 51.18 1wrv n ALA 104 Cb 0.00 -1.39 0.25 0.00 0.00 0.00 0.00 19.45 18.31 1wrv n ALA 104 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1wrv h LYS 105 N 0.96 0.06 -2.41 0.00 1.57 -1.89 -3.47 116.57 111.39 1wrv h LYS 105 Ca 0.47 -0.03 0.13 0.00 -1.87 0.00 0.00 60.65 59.35 1wrv h LYS 105 Cb 2.08 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 34.28 1wrv h LYS 105 CO 0.91 0.53 0.45 0.00 -0.57 0.00 0.00 179.45 180.77 1wrv s ALA 106 N -3.95 -1.69 -0.13 3.86 0.00 -1.26 -5.02 121.76 113.55 1wrv s ALA 106 Ca -0.03 0.49 0.15 0.00 0.00 0.00 0.00 51.96 52.57 1wrv s ALA 106 Cb 0.13 0.58 0.34 0.00 0.00 0.00 0.00 23.12 24.17 1wrv s ALA 106 CO 0.75 -0.87 1.17 1.28 0.00 0.00 0.00 175.76 178.08 1wrv n LEU 107 N -0.37 2.07 -4.80 0.00 4.77 -1.26 -4.57 117.00 112.84 1wrv n LEU 107 Ca -0.08 -3.08 -0.33 0.00 -0.03 0.00 0.00 56.01 52.49 1wrv n LEU 107 Cb 0.61 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1wrv n LEU 107 CO 0.12 0.94 0.72 -0.83 -1.33 0.00 0.00 177.39 177.01 1wrv s GLY 108 N -2.72 2.25 0.52 -0.72 0.00 -1.26 -4.91 107.32 100.48 1wrv s GLY 108 Ca 0.32 0.47 0.21 0.00 0.00 0.00 0.00 44.72 45.72 1wrv s GLY 108 CO -0.04 0.80 2.11 -0.24 0.00 0.00 0.00 173.10 175.73 1wrv h VAL 109 N 0.76 0.84 -2.74 1.40 3.04 -2.02 -3.41 116.25 114.11 1wrv h VAL 109 Ca -0.48 -0.29 -0.54 0.00 -1.01 0.00 0.00 66.70 64.38 1wrv h VAL 109 Cb 1.22 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 1wrv h VAL 109 CO 0.58 0.08 0.97 0.21 -1.01 0.00 0.00 177.57 178.39 1wrv s ASN 110 N -6.64 6.71 0.03 3.17 3.84 -1.26 -4.91 114.94 115.88 1wrv s ASN 110 Ca -0.04 2.27 0.26 0.00 0.21 0.00 0.00 52.86 55.55 1wrv s ASN 110 Cb 0.15 -2.55 0.64 0.00 -0.55 0.00 0.00 41.25 38.94 1wrv s ASN 110 CO 0.63 -0.84 1.52 -0.81 -2.79 0.00 0.00 177.10 174.81 1wrv n PRO 111 N 6.01 0.06 -0.32 0.43 -0.04 -1.26 -4.34 135.00 135.54 1wrv n PRO 111 Ca 0.15 0.02 0.06 0.00 -0.04 0.00 0.00 63.50 63.70 1wrv n PRO 111 Cb 0.42 -1.55 0.21 0.00 -0.04 0.00 0.00 33.50 32.55 1wrv n PRO 111 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1wrv h LEU 112 N 0.00 0.72 -0.53 1.53 3.38 -1.90 0.19 115.31 118.69 1wrv h LEU 112 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1wrv h LEU 112 Cb 0.55 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1wrv h LEU 112 CO 0.00 0.37 0.00 -0.81 0.09 0.00 0.00 178.44 178.09 1wrv n PRO 113 N -4.74 0.09 0.00 1.13 -0.04 -1.26 -2.10 135.00 128.07 1wrv n PRO 113 Ca 0.17 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 64.20 1wrv n PRO 113 Cb 0.36 -1.71 0.34 0.00 -0.04 0.00 0.00 33.50 32.46 1wrv n PRO 113 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wrv n ASN 114 N -1.88 0.70 -4.75 3.54 4.13 0.05 -4.86 115.26 112.19 1wrv n ASN 114 Ca 0.01 -0.51 -0.35 0.00 1.68 0.00 0.00 54.58 55.41 1wrv n ASN 114 Cb 0.11 0.15 0.05 0.00 -1.54 0.00 0.00 39.78 38.55 1wrv n ASN 114 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1wrv s ASN 115 N -2.75 4.93 0.62 6.41 0.01 -0.89 -4.41 114.94 118.85 1wrv s ASN 115 Ca 0.18 2.30 -0.11 0.00 -0.71 0.00 0.00 52.86 54.53 1wrv s ASN 115 Cb 0.18 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 39.22 1wrv s ASN 115 CO 0.60 -1.77 1.02 -2.16 -1.51 0.00 0.00 177.10 173.28 1wrv s PRO 116 N -3.62 3.51 0.69 -0.60 0.04 -1.26 -5.09 135.00 128.67 1wrv s PRO 116 Ca 0.75 0.67 -0.14 0.00 0.04 0.00 0.00 61.00 62.31 1wrv s PRO 116 Cb -0.28 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.18 1wrv s PRO 116 CO 0.37 -0.59 1.11 0.00 0.04 0.00 0.00 177.00 177.94 1wrv s ALA 117 N -3.16 2.38 0.20 8.56 0.00 0.65 -4.75 121.76 125.64 1wrv s ALA 117 Ca 0.55 0.50 -0.08 0.00 0.00 0.00 0.00 51.96 52.93 1wrv s ALA 117 Cb -0.11 -3.32 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 1wrv s ALA 117 CO 0.53 -1.45 0.50 -1.21 0.00 0.00 0.00 175.76 174.12 1wrv s GLU 118 N -4.28 3.76 0.04 0.00 2.02 0.05 -4.51 118.70 115.79 1wrv s GLU 118 Ca 0.66 0.18 0.03 0.00 0.02 0.00 0.00 54.97 55.86 1wrv s GLU 118 Cb -0.20 -2.73 -0.02 0.00 0.10 0.00 0.00 34.13 31.28 1wrv s GLU 118 CO 0.45 0.37 -0.10 0.08 0.02 0.00 0.00 175.26 176.08 1wrv s VAL 119 N -1.74 0.78 -0.01 2.63 1.01 -1.26 -0.81 120.40 121.00 1wrv s VAL 119 Ca 0.45 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.24 1wrv s VAL 119 Cb -0.12 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.52 1wrv s VAL 119 CO 0.22 -0.20 0.38 -0.32 0.00 0.00 0.00 175.10 175.17 1wrv s MET 120 N -1.35 0.76 -0.08 2.72 0.00 0.22 -0.26 119.30 121.30 1wrv s MET 120 Ca -0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 55.69 55.49 1wrv s MET 120 Cb -0.09 0.34 0.02 0.00 0.00 0.00 0.00 34.83 35.11 1wrv s MET 120 CO 0.01 -0.22 -0.06 0.08 0.00 0.00 0.00 175.02 174.83 1wrv s VAL 121 N -1.49 0.79 0.15 10.11 1.01 -0.25 -0.20 120.40 130.52 1wrv s VAL 121 Ca -0.12 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 61.75 1wrv s VAL 121 Cb -0.04 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1wrv s VAL 121 CO 0.04 0.31 -0.14 0.00 0.00 0.00 0.00 175.10 175.31 1wrv s ALA 122 N 1.50 1.72 0.10 5.51 0.00 -1.02 -1.40 121.76 128.17 1wrv s ALA 122 Ca -0.00 -1.44 -0.13 0.00 0.00 0.00 0.00 51.96 50.38 1wrv s ALA 122 Cb -0.13 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1wrv s ALA 122 CO -0.04 0.09 0.32 0.00 0.00 0.00 0.00 175.76 176.13 1wrv s ALA 123 N -2.47 -0.67 -0.08 0.00 0.00 -1.26 0.35 121.76 117.63 1wrv s ALA 123 Ca 0.14 -0.23 -0.19 0.00 0.00 0.00 0.00 51.96 51.68 1wrv s ALA 123 Cb -0.03 0.58 0.04 0.00 0.00 0.00 0.00 23.12 23.71 1wrv s ALA 123 CO 0.04 -0.57 0.45 1.67 0.00 0.00 0.00 175.76 177.35 1wrv s TRP 124 N -3.68 -0.41 0.33 0.00 -2.14 -0.68 -4.23 118.94 108.13 1wrv s TRP 124 Ca 0.03 0.81 -0.29 0.00 2.66 0.00 0.00 56.10 59.31 1wrv s TRP 124 Cb 0.03 0.19 -0.12 0.00 -3.10 0.00 0.00 33.47 30.47 1wrv s TRP 124 CO -0.11 -0.39 1.39 0.39 -2.66 0.00 0.00 176.95 175.57 1wrv n GLU 125 N 1.73 2.31 -0.37 3.25 -0.58 -1.26 -0.61 120.64 125.11 1wrv n GLU 125 Ca -0.18 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.37 1wrv n GLU 125 Cb 0.56 -2.46 0.00 0.00 -0.57 0.00 0.00 31.44 28.97 1wrv n GLU 125 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52 1wrv n TRP 126 N 0.83 -2.33 0.00 -0.32 -0.00 -0.08 -4.72 117.44 110.83 1wrv n TRP 126 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.55 1wrv n TRP 126 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.67 1wrv n TRP 126 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1wrv n LYS 137 N -0.67 0.00 0.00 5.87 -0.00 -1.26 -4.84 118.16 117.26 1wrv n LYS 137 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1wrv n LYS 137 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1wrv n LYS 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wrv n GLY 138 N 0.00 -1.72 3.81 2.58 0.00 -1.26 -4.26 105.19 104.34 1wrv n GLY 138 Ca 0.00 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 1wrv n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wrv s ALA 139 N -1.61 2.96 -0.17 4.61 0.00 0.20 -4.51 121.76 123.23 1wrv s ALA 139 Ca 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 51.96 52.38 1wrv s ALA 139 Cb 0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 1wrv s ALA 139 CO 0.00 -0.14 -0.02 1.03 0.00 0.00 0.00 175.76 176.63 1wrv s ARG 140 N -3.35 3.66 0.21 0.00 0.52 -1.26 -1.51 118.95 117.22 1wrv s ARG 140 Ca 0.64 -0.51 0.10 0.00 -0.52 0.00 0.00 55.73 55.43 1wrv s ARG 140 Cb -0.12 -2.99 -0.04 0.00 0.52 0.00 0.00 34.95 32.31 1wrv s ARG 140 CO 0.19 0.15 -0.10 -0.51 0.02 0.00 0.00 175.30 175.05 1wrv s LEU 141 N 0.63 2.94 -0.01 2.53 1.43 0.41 -0.75 118.68 125.85 1wrv s LEU 141 Ca -0.01 -0.66 0.02 0.00 -1.03 0.00 0.00 54.13 52.44 1wrv s LEU 141 Cb -0.14 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.51 1wrv s LEU 141 CO 0.02 0.07 -0.06 -0.63 0.23 0.00 0.00 176.35 175.99 1wrv s ILE 142 N -1.93 0.52 0.10 -0.59 1.01 -1.10 -0.88 121.20 118.33 1wrv s ILE 142 Ca 0.27 -0.24 -0.31 0.00 0.00 0.00 0.00 60.65 60.37 1wrv s ILE 142 Cb -0.08 -0.46 -0.07 0.00 0.01 0.00 0.00 42.46 41.86 1wrv s ILE 142 CO 0.16 0.16 1.31 -0.89 0.00 0.00 0.00 174.94 175.68 1wrv s THR 143 N 0.08 3.59 0.57 2.92 2.01 -1.26 -1.02 115.64 122.54 1wrv s THR 143 Ca -0.01 1.16 -0.15 0.00 0.31 0.00 0.00 61.69 63.00 1wrv s THR 143 Cb -0.05 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 1wrv s THR 143 CO -0.00 0.10 1.02 -0.55 -0.69 0.00 0.00 174.62 174.49 1wrv s SER 144 N 1.02 6.20 0.00 3.53 0.15 0.92 -4.85 113.70 120.68 1wrv s SER 144 Ca 0.62 1.61 0.26 0.00 0.70 0.00 0.00 55.95 59.14 1wrv s SER 144 Cb -0.34 -2.51 0.86 0.00 -1.71 0.00 0.00 66.02 62.32 1wrv s SER 144 CO 0.30 -0.88 1.63 -1.54 1.20 0.00 0.00 173.24 173.95 1wrv n SER 145 N -2.07 1.79 -4.49 5.45 3.41 -1.26 -4.71 113.62 111.74 1wrv n SER 145 Ca 0.07 -1.62 -0.34 0.00 -0.26 0.00 0.00 58.87 56.72 1wrv n SER 145 Cb 0.54 -0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 64.33 1wrv n SER 145 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1wrv s TRP 146 N -1.94 3.05 0.14 7.33 0.52 -1.26 -5.10 118.94 121.67 1wrv s TRP 146 Ca 0.36 -0.34 -0.11 0.00 0.02 0.00 0.00 56.10 56.03 1wrv s TRP 146 Cb 0.20 -2.02 -0.06 0.00 -1.15 0.00 0.00 33.47 30.44 1wrv s TRP 146 CO 0.31 -0.10 0.48 0.00 0.02 0.00 0.00 176.95 177.67 1wrv s ALA 147 N 0.62 3.64 0.33 0.98 0.00 -1.26 -4.37 121.76 121.71 1wrv s ALA 147 Ca -0.01 -0.27 -0.28 0.00 0.00 0.00 0.00 51.96 51.39 1wrv s ALA 147 Cb -0.14 -2.39 -0.10 0.00 0.00 0.00 0.00 23.12 20.49 1wrv s ALA 147 CO 0.02 0.52 1.26 0.50 0.00 0.00 0.00 175.76 178.06 1wrv s ARG 148 N -2.12 4.36 0.32 0.00 3.52 -0.18 -4.91 118.95 119.94 1wrv s ARG 148 Ca 0.38 2.11 -0.29 0.00 -0.13 0.00 0.00 55.73 57.80 1wrv s ARG 148 Cb -0.14 -3.04 -0.12 0.00 -1.56 0.00 0.00 34.95 30.09 1wrv s ARG 148 CO 0.19 -0.14 1.44 1.97 -0.81 0.00 0.00 175.30 177.95 1wrv n PHE 149 N 0.77 2.59 -0.86 5.12 1.16 -1.26 -4.15 117.46 120.82 1wrv n PHE 149 Ca 0.00 0.43 -0.32 0.00 -1.87 0.00 0.00 57.45 55.69 1wrv n PHE 149 Cb 0.43 -2.50 0.15 0.00 -1.61 0.00 0.00 39.48 35.95 1wrv n PHE 149 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 1wrv n PRO 150 N 1.17 -0.19 0.00 3.97 -0.02 -1.26 -4.77 135.00 133.90 1wrv n PRO 150 Ca 0.06 0.02 0.06 0.00 -2.02 0.00 0.00 63.50 61.61 1wrv n PRO 150 Cb 0.36 -2.37 0.31 0.00 -0.02 0.00 0.00 33.50 31.78 1wrv n PRO 150 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wrv n ALA 151 N -3.82 1.76 -1.12 3.55 0.00 -1.26 -1.66 120.51 117.96 1wrv n ALA 151 Ca 0.12 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.60 1wrv n ALA 151 Cb 0.51 -1.19 0.13 0.00 0.00 0.00 0.00 19.45 18.91 1wrv n ALA 151 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wrv n ASN 152 N -1.21 2.21 -0.03 0.00 6.94 -1.26 -4.68 115.26 117.24 1wrv n ASN 152 Ca 0.06 -3.02 -0.05 0.00 -0.02 0.00 0.00 54.58 51.55 1wrv n ASN 152 Cb 0.08 -0.41 -0.02 0.00 -2.36 0.00 0.00 39.78 37.06 1wrv n ASN 152 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1wrv n VAL 153 N -1.35 0.29 -3.93 3.53 0.31 -0.67 -5.05 118.33 111.47 1wrv n VAL 153 Ca 0.15 -0.08 -0.10 0.00 -0.01 0.00 0.00 64.34 64.30 1wrv n VAL 153 Cb 0.64 -1.43 -0.12 0.00 -0.91 0.00 0.00 33.84 32.03 1wrv n VAL 153 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1wrv s MET 154 N -2.10 0.27 -0.98 5.55 -1.94 -1.16 -5.02 119.30 113.92 1wrv s MET 154 Ca -0.07 -0.39 -0.23 0.00 -1.71 0.00 0.00 55.69 53.28 1wrv s MET 154 Cb 0.03 0.10 0.01 0.00 2.01 0.00 0.00 34.83 36.98 1wrv s MET 154 CO 0.10 -0.05 1.68 -1.25 -0.01 0.00 0.00 175.02 175.49 1wrv s PRO 155 N -1.04 3.15 0.00 2.03 0.04 -1.26 -4.53 135.00 133.39 1wrv s PRO 155 Ca -0.11 -0.81 0.14 0.00 0.04 0.00 0.00 61.00 60.26 1wrv s PRO 155 Cb -0.07 -5.24 0.71 0.00 0.04 0.00 0.00 34.50 29.94 1wrv s PRO 155 CO -0.00 -2.74 1.37 0.41 0.04 0.00 0.00 177.00 176.08 1wrv n GLY 156 N 6.80 -0.74 0.54 0.56 0.00 -1.26 -2.10 105.19 108.99 1wrv n GLY 156 Ca 0.37 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.44 1wrv n GLY 156 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wrv n LYS 157 N -1.28 1.46 -4.33 1.61 4.76 -1.26 -2.77 118.16 116.35 1wrv n LYS 157 Ca 0.07 -1.09 -0.29 0.00 -2.87 0.00 0.00 58.31 54.13 1wrv n LYS 157 Cb 0.11 -1.48 -0.12 0.00 -1.84 0.00 0.00 35.03 31.70 1wrv n LYS 157 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wrv s ALA 158 N -2.29 2.59 -1.22 7.82 0.00 -0.89 -4.67 121.76 123.08 1wrv s ALA 158 Ca 0.25 -1.39 -0.09 0.00 0.00 0.00 0.00 51.96 50.72 1wrv s ALA 158 Cb 0.19 -0.56 0.20 0.00 0.00 0.00 0.00 23.12 22.95 1wrv s ALA 158 CO 0.46 0.57 1.67 1.63 0.00 0.00 0.00 175.76 180.09 1wrv n LYS 159 N 0.82 3.71 -3.39 0.00 5.02 -1.26 -4.95 118.16 118.11 1wrv n LYS 159 Ca -0.16 -3.83 -0.37 0.00 -2.02 0.00 0.00 58.31 51.92 1wrv n LYS 159 Cb 0.53 -2.86 -0.06 0.00 -0.02 0.00 0.00 35.03 32.62 1wrv n LYS 159 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wrv s VAL 160 N -0.00 5.22 0.21 -0.18 1.01 -1.26 -1.62 120.40 123.78 1wrv s VAL 160 Ca 0.38 0.82 -0.17 0.00 0.00 0.00 0.00 61.98 63.01 1wrv s VAL 160 Cb 0.05 -3.76 0.21 0.00 0.00 0.00 0.00 36.38 32.88 1wrv s VAL 160 CO 0.02 0.35 1.59 1.23 0.00 0.00 0.00 175.10 178.28 1wrv h GLY 161 N 6.66 0.14 1.45 4.51 0.00 -0.88 -0.97 103.07 113.97 1wrv h GLY 161 Ca -0.41 0.39 0.07 0.00 0.00 0.00 0.00 47.33 47.37 1wrv h GLY 161 CO 0.75 -0.23 0.21 -1.33 0.00 0.00 0.00 176.54 175.94 1wrv h GLY 162 N -0.09 0.00 1.33 4.60 0.00 -1.46 -1.34 103.07 106.12 1wrv h GLY 162 Ca 0.29 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.67 1wrv h GLY 162 CO -0.76 0.00 0.35 3.43 0.00 0.00 0.00 176.54 179.56 1wrv h ASN 163 N 0.00 0.49 0.00 0.19 4.21 -1.47 -2.83 115.58 116.17 1wrv h ASN 163 Ca 0.11 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.62 1wrv h ASN 163 Cb 0.53 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 1wrv h ASN 163 CO -0.00 0.33 0.00 -1.22 -1.29 0.00 0.00 177.43 175.25 1wrv n TYR 164 N -4.47 0.00 -0.10 1.19 4.02 -0.51 -2.08 117.16 115.21 1wrv n TYR 164 Ca 0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.86 1wrv n TYR 164 Cb 0.17 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.54 1wrv n TYR 164 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1wrv h VAL 165 N 0.00 1.28 -0.34 -0.72 2.07 -1.68 0.37 116.25 117.22 1wrv h VAL 165 Ca 0.00 -1.44 -0.03 0.00 0.82 0.00 0.00 66.70 66.04 1wrv h VAL 165 Cb 0.00 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1wrv h VAL 165 CO 0.00 0.48 0.08 -1.13 0.02 0.00 0.00 177.57 177.03 1wrv h ASN 166 N 0.70 0.51 -0.63 0.57 -0.73 -1.64 -1.17 115.58 113.19 1wrv h ASN 166 Ca 0.08 -0.23 -0.09 0.00 1.87 0.00 0.00 56.30 57.93 1wrv h ASN 166 Cb 0.84 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 39.27 1wrv h ASN 166 CO 0.07 0.61 0.04 0.28 -0.37 0.00 0.00 177.43 178.06 1wrv h SER 167 N 0.39 1.05 -0.43 1.15 0.02 -1.57 -2.24 113.55 111.92 1wrv h SER 167 Ca 0.11 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1wrv h SER 167 Cb 0.29 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1wrv h SER 167 CO 0.00 1.08 0.25 0.00 -1.14 0.00 0.00 176.83 177.02 1wrv h ALA 168 N 1.01 0.55 -0.65 3.77 0.00 -0.06 0.92 119.26 124.80 1wrv h ALA 168 Ca 0.18 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1wrv h ALA 168 Cb 0.51 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1wrv h ALA 168 CO 0.02 0.06 0.21 -0.07 0.00 0.00 0.00 179.25 179.48 1wrv h LEU 169 N 0.57 0.93 -0.29 0.00 3.38 -1.11 -1.10 115.31 117.70 1wrv h LEU 169 Ca 0.15 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1wrv h LEU 169 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1wrv h LEU 169 CO -0.03 0.88 -0.09 0.00 0.09 0.00 0.00 178.44 179.29 1wrv h ALA 170 N 1.08 0.40 -0.36 1.53 0.00 -1.17 -2.39 119.26 118.35 1wrv h ALA 170 Ca 0.21 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wrv h ALA 170 Cb 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1wrv h ALA 170 CO -0.01 0.24 0.22 -0.22 0.00 0.00 0.00 179.25 179.48 1wrv h LYS 171 N 0.33 0.50 -0.91 0.00 1.63 -0.67 -1.34 116.57 116.10 1wrv h LYS 171 Ca 0.07 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1wrv h LYS 171 Cb 0.59 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 32.07 1wrv h LYS 171 CO 0.03 0.38 0.58 0.52 -3.45 0.00 0.00 179.45 177.52 1wrv h MET 172 N 0.47 1.22 -0.37 1.90 2.86 -1.18 -1.34 114.93 118.49 1wrv h MET 172 Ca 0.13 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1wrv h MET 172 Cb 0.02 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.39 1wrv h MET 172 CO -0.02 0.82 0.16 1.49 1.06 0.00 0.00 176.91 180.42 1wrv h GLU 173 N 1.25 0.54 -0.14 1.72 4.81 -1.09 -0.08 114.58 121.59 1wrv h GLU 173 Ca 0.33 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1wrv h GLU 173 Cb -0.11 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1wrv h GLU 173 CO -0.07 0.51 0.09 0.00 -0.73 0.00 0.00 179.01 178.81 1wrv h ALA 174 N 1.00 0.18 -0.65 2.92 0.00 -0.96 -1.07 119.26 120.68 1wrv h ALA 174 Ca 0.12 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1wrv h ALA 174 Cb 0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1wrv h ALA 174 CO -0.01 -0.32 0.14 0.28 0.00 0.00 0.00 179.25 179.34 1wrv h VAL 175 N 0.16 1.25 0.00 0.00 2.07 -1.15 -0.62 116.25 117.97 1wrv h VAL 175 Ca 0.05 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.56 1wrv h VAL 175 Cb 0.02 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1wrv h VAL 175 CO -0.01 0.36 -0.26 0.00 0.02 0.00 0.00 177.57 177.68 1wrv h ALA 176 N 1.16 1.38 -0.01 1.67 0.00 -0.76 -1.87 119.26 120.83 1wrv h ALA 176 Ca 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wrv h ALA 176 Cb 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1wrv h ALA 176 CO 0.00 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1wrv n ALA 177 N -2.40 2.64 -0.41 0.00 0.00 -0.43 -4.90 120.51 115.01 1wrv n ALA 177 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1wrv n ALA 177 Cb 0.33 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1wrv n ALA 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wrv n GLY 178 N 1.05 0.77 4.01 0.00 0.00 -0.70 -5.07 105.19 105.25 1wrv n GLY 178 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 1wrv n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wrv s ALA 179 N -2.25 4.36 -0.08 4.61 0.00 -0.30 -5.00 121.76 123.11 1wrv s ALA 179 Ca 0.00 -1.75 0.11 0.00 0.00 0.00 0.00 51.96 50.32 1wrv s ALA 179 Cb 0.00 -1.71 -0.24 0.00 0.00 0.00 0.00 23.12 21.17 1wrv s ALA 179 CO 0.00 -0.68 0.53 -0.25 0.00 0.00 0.00 175.76 175.37 1wrv n ASP 180 N -2.17 0.91 -3.76 0.00 8.00 0.07 -3.86 116.55 115.73 1wrv n ASP 180 Ca 0.11 0.33 -0.10 0.00 0.71 0.00 0.00 54.79 55.84 1wrv n ASP 180 Cb 0.60 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.63 1wrv n ASP 180 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1wrv s GLU 181 N -2.58 1.05 0.07 -1.24 2.56 -1.11 -4.84 118.70 112.62 1wrv s GLU 181 Ca -0.08 -0.87 -0.01 0.00 0.00 0.00 0.00 54.97 54.01 1wrv s GLU 181 Cb 0.08 0.42 -0.04 0.00 2.00 0.00 0.00 34.13 36.59 1wrv s GLU 181 CO 0.82 -0.39 0.23 0.00 -0.56 0.00 0.00 175.26 175.36 1wrv s ALA 182 N -3.85 3.98 -0.25 6.30 0.00 -1.26 -2.71 121.76 123.97 1wrv s ALA 182 Ca 0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 1wrv s ALA 182 Cb 0.03 -1.87 0.03 0.00 0.00 0.00 0.00 23.12 21.31 1wrv s ALA 182 CO -0.09 0.80 -0.07 -1.17 0.00 0.00 0.00 175.76 175.24 1wrv s LEU 183 N -2.55 3.24 -0.00 0.00 2.96 -0.19 -3.48 118.68 118.67 1wrv s LEU 183 Ca 0.36 -0.97 -0.11 0.00 -0.22 0.00 0.00 54.13 53.19 1wrv s LEU 183 Cb -0.13 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 1wrv s LEU 183 CO 0.28 -0.14 0.34 -0.76 -1.32 0.00 0.00 176.35 174.74 1wrv s LEU 184 N 1.29 4.42 0.34 -0.68 2.01 0.44 -0.05 118.68 126.44 1wrv s LEU 184 Ca -0.01 0.78 0.07 0.00 0.01 0.00 0.00 54.13 54.98 1wrv s LEU 184 Cb -0.17 -2.60 -0.02 0.00 0.01 0.00 0.00 46.19 43.41 1wrv s LEU 184 CO -0.05 0.30 0.38 -0.76 1.01 0.00 0.00 176.35 177.23 1wrv s LEU 185 N -1.36 3.75 0.78 1.79 1.43 -1.26 -0.46 118.68 123.35 1wrv s LEU 185 Ca 0.25 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 52.92 1wrv s LEU 185 Cb -0.15 -2.45 0.14 0.00 0.03 0.00 0.00 46.19 43.76 1wrv s LEU 185 CO 0.13 -0.41 1.08 1.51 0.23 0.00 0.00 176.35 178.90 1wrv s ASP 186 N -4.08 4.07 0.59 2.29 1.47 0.12 -1.01 116.67 120.12 1wrv s ASP 186 Ca 0.43 -0.10 0.34 0.00 1.18 0.00 0.00 52.55 54.40 1wrv s ASP 186 Cb -0.07 -0.22 1.89 0.00 -0.34 0.00 0.00 42.92 44.18 1wrv s ASP 186 CO 0.29 -2.06 2.23 -0.08 0.68 0.00 0.00 175.17 176.22 1wrv h GLU 187 N -0.83 0.00 0.00 2.11 4.57 -1.89 -1.20 114.58 117.33 1wrv h GLU 187 Ca -0.39 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1wrv h GLU 187 Cb 1.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1wrv h GLU 187 CO 0.42 0.03 -0.14 0.39 -1.18 0.00 0.00 179.01 178.53 1wrv n GLU 188 N -3.48 0.07 0.00 1.92 4.71 -1.26 -4.93 120.64 117.67 1wrv n GLU 188 Ca -0.02 0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 1wrv n GLU 188 Cb 0.14 -1.57 0.00 0.00 -1.01 0.00 0.00 31.44 29.00 1wrv n GLU 188 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1wrv n GLY 189 N 1.45 0.56 3.90 0.62 0.00 -0.45 -5.09 105.19 106.18 1wrv n GLY 189 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1wrv n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wrv s TYR 190 N -2.00 3.52 0.30 1.61 1.51 -1.26 -4.72 117.35 116.31 1wrv s TYR 190 Ca 0.00 0.83 -0.29 0.00 -1.01 0.00 0.00 57.07 56.60 1wrv s TYR 190 Cb 0.00 -2.41 -0.10 0.00 -0.11 0.00 0.00 41.96 39.34 1wrv s TYR 190 CO 0.00 -0.41 1.31 0.08 -1.11 0.00 0.00 175.55 175.42 1wrv s VAL 191 N -2.83 2.81 0.00 0.71 1.01 0.12 0.13 120.40 122.36 1wrv s VAL 191 Ca 0.49 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.25 1wrv s VAL 191 Cb -0.10 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1wrv s VAL 191 CO 0.46 0.17 0.00 0.00 0.00 0.00 0.00 175.10 175.73 1wrv n ALA 192 N 1.19 0.77 -3.65 5.51 0.00 0.39 -4.66 120.51 120.06 1wrv n ALA 192 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.49 1wrv n ALA 192 Cb 0.42 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.89 1wrv n ALA 192 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1wrv n GLU 193 N -0.66 0.64 -1.86 0.00 0.28 -1.09 -4.65 120.64 113.31 1wrv n GLU 193 Ca 0.00 -1.35 -0.28 0.00 -0.16 0.00 0.00 57.16 55.37 1wrv n GLU 193 Cb 0.00 1.76 0.19 0.00 1.43 0.00 0.00 31.44 34.83 1wrv n GLU 193 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1wrv n GLY 194 N -0.50 -1.40 0.32 -1.84 0.00 0.49 -0.42 105.19 101.85 1wrv n GLY 194 Ca -0.04 -1.72 0.18 0.00 0.00 0.00 0.00 46.02 44.45 1wrv n GLY 194 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wrv h SER 195 N -1.64 0.00 0.00 1.61 4.64 -1.89 -3.30 113.55 112.98 1wrv h SER 195 Ca -0.41 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.80 1wrv h SER 195 Cb 1.14 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.12 1wrv h SER 195 CO 0.29 0.00 -0.24 0.61 -0.87 0.00 0.00 176.83 176.63 1wrv n GLY 196 N -1.23 0.52 2.95 -0.77 0.00 -1.26 -4.74 105.19 100.66 1wrv n GLY 196 Ca -0.03 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 1wrv n GLY 196 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wrv s GLU 197 N 0.02 0.16 0.38 1.61 8.01 -1.24 -4.74 118.70 122.88 1wrv s GLU 197 Ca 0.01 -0.15 -0.13 0.00 0.01 0.00 0.00 54.97 54.71 1wrv s GLU 197 Cb 0.06 0.06 -0.08 0.00 -4.31 0.00 0.00 34.13 29.87 1wrv s GLU 197 CO -0.02 -0.03 0.77 -0.80 0.01 0.00 0.00 175.26 175.20 1wrv s ASN 198 N -0.49 6.66 0.07 -0.19 0.02 0.04 -0.38 114.94 120.68 1wrv s ASN 198 Ca -0.05 1.25 0.04 0.00 -1.02 0.00 0.00 52.86 53.07 1wrv s ASN 198 Cb -0.03 -2.36 -0.04 0.00 0.02 0.00 0.00 41.25 38.83 1wrv s ASN 198 CO -0.00 -0.32 -0.01 -0.76 0.02 0.00 0.00 177.10 176.03 1wrv s LEU 199 N -3.45 3.45 0.05 0.60 2.01 -1.26 -0.68 118.68 119.40 1wrv s LEU 199 Ca 0.53 -0.16 -0.02 0.00 0.01 0.00 0.00 54.13 54.49 1wrv s LEU 199 Cb -0.10 -2.15 -0.03 0.00 0.01 0.00 0.00 46.19 43.92 1wrv s LEU 199 CO 0.24 0.19 0.01 -0.36 1.01 0.00 0.00 176.35 177.45 1wrv s PHE 200 N -1.27 0.42 0.09 0.29 0.40 -0.04 -2.63 117.98 115.24 1wrv s PHE 200 Ca 0.24 -0.91 -0.12 0.00 -0.60 0.00 0.00 56.93 55.55 1wrv s PHE 200 Cb -0.12 -0.31 0.01 0.00 0.51 0.00 0.00 43.02 43.12 1wrv s PHE 200 CO 0.17 -0.38 0.27 -0.59 0.70 0.00 0.00 175.22 175.38 1wrv s PHE 201 N -3.58 -0.00 -0.05 0.36 -0.12 -0.27 -1.53 117.98 112.79 1wrv s PHE 201 Ca 0.04 -0.32 0.05 0.00 -0.05 0.00 0.00 56.93 56.64 1wrv s PHE 201 Cb 0.05 0.06 -0.00 0.00 -0.63 0.00 0.00 43.02 42.50 1wrv s PHE 201 CO -0.09 -0.57 -0.19 0.08 -0.05 0.00 0.00 175.22 174.40 1wrv s VAL 202 N -3.48 1.60 -0.11 -2.49 1.01 0.85 0.22 120.40 118.00 1wrv s VAL 202 Ca 0.02 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 1wrv s VAL 202 Cb 0.03 -1.38 0.06 0.00 0.00 0.00 0.00 36.38 35.08 1wrv s VAL 202 CO -0.09 0.46 0.23 -0.60 0.00 0.00 0.00 175.10 175.09 1wrv s ARG 203 N 0.05 0.13 -1.38 2.72 6.06 -0.57 0.09 118.95 126.05 1wrv s ARG 203 Ca -0.06 0.64 -0.03 0.00 -2.50 0.00 0.00 55.73 53.79 1wrv s ARG 203 Cb -0.13 -0.11 0.02 0.00 0.06 0.00 0.00 34.95 34.79 1wrv s ARG 203 CO 0.03 -0.26 0.69 -0.25 -2.50 0.00 0.00 175.30 173.01 1wrv n ASP 204 N 5.07 -1.65 0.00 -2.12 8.00 -1.26 -1.98 116.55 122.61 1wrv n ASP 204 Ca -0.11 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.53 1wrv n ASP 204 Cb 0.50 -3.76 0.00 0.00 -0.02 0.00 0.00 41.12 37.85 1wrv n ASP 204 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wrv n GLY 205 N -1.68 2.80 3.85 0.44 0.00 -1.26 -5.01 105.19 104.32 1wrv n GLY 205 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 1wrv n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wrv s VAL 206 N -2.96 5.47 -0.20 1.61 1.01 -0.84 -4.58 120.40 119.91 1wrv s VAL 206 Ca 0.00 0.20 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 1wrv s VAL 206 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1wrv s VAL 206 CO 0.00 0.59 0.35 -0.63 0.00 0.00 0.00 175.10 175.40 1wrv s ILE 207 N -0.79 5.24 -0.27 2.22 1.01 -0.62 -1.51 121.20 126.47 1wrv s ILE 207 Ca 0.14 0.60 -0.05 0.00 0.00 0.00 0.00 60.65 61.34 1wrv s ILE 207 Cb -0.12 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.68 1wrv s ILE 207 CO 0.03 0.29 0.02 -0.31 0.00 0.00 0.00 174.94 174.97 1wrv s TYR 208 N 1.12 3.09 -0.04 3.97 1.51 0.13 -0.95 117.35 126.20 1wrv s TYR 208 Ca 0.17 -1.12 -0.11 0.00 -1.01 0.00 0.00 57.07 55.00 1wrv s TYR 208 Cb -0.14 -2.17 -0.05 0.00 -0.11 0.00 0.00 41.96 39.48 1wrv s TYR 208 CO 0.07 -0.61 0.31 0.00 -1.11 0.00 0.00 175.55 174.21 1wrv s ALA 209 N 1.45 3.77 0.38 3.71 0.00 0.20 -1.11 121.76 130.16 1wrv s ALA 209 Ca 0.02 -0.39 -0.25 0.00 0.00 0.00 0.00 51.96 51.35 1wrv s ALA 209 Cb -0.16 -2.22 -0.09 0.00 0.00 0.00 0.00 23.12 20.64 1wrv s ALA 209 CO -0.00 0.54 1.03 -0.51 0.00 0.00 0.00 175.76 176.82 1wrv s LEU 210 N -1.14 4.19 1.00 0.00 1.43 -1.08 -1.27 118.68 121.81 1wrv s LEU 210 Ca 0.21 2.00 -0.11 0.00 -1.03 0.00 0.00 54.13 55.20 1wrv s LEU 210 Cb -0.15 -4.14 0.19 0.00 0.03 0.00 0.00 46.19 42.13 1wrv s LEU 210 CO 0.11 -0.39 1.10 -1.61 0.23 0.00 0.00 176.35 175.78 1wrv s GLU 211 N -2.39 0.36 0.37 1.70 2.02 0.09 -4.76 118.70 116.09 1wrv s GLU 211 Ca 0.56 1.25 0.08 0.00 0.02 0.00 0.00 54.97 56.88 1wrv s GLU 211 Cb -0.21 -1.67 0.71 0.00 0.10 0.00 0.00 34.13 33.05 1wrv s GLU 211 CO 0.27 -2.98 1.89 0.45 0.02 0.00 0.00 175.26 174.90 1wrv h HIS 212 N -2.11 0.33 0.00 1.61 3.86 -1.92 -3.46 115.15 113.46 1wrv h HIS 212 Ca -0.50 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.67 1wrv h HIS 212 Cb 1.29 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.67 1wrv h HIS 212 CO 0.42 0.44 0.00 -1.13 0.86 0.00 0.00 177.93 178.51 1wrv n SER 213 N -4.26 0.00 -1.43 2.45 3.41 -1.26 0.82 113.62 113.35 1wrv n SER 213 Ca -0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1wrv n SER 213 Cb 0.28 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.56 1wrv n SER 213 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1wrv n VAL 214 N 0.00 1.31 -2.38 -3.33 0.24 -1.26 -4.99 118.33 107.92 1wrv n VAL 214 Ca 0.00 -1.08 -0.26 0.00 -2.04 0.00 0.00 64.34 60.96 1wrv n VAL 214 Cb 0.00 0.36 0.04 0.00 -1.47 0.00 0.00 33.84 32.77 1wrv n VAL 214 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1wrv s ASN 215 N -0.97 5.45 0.36 -1.34 0.01 0.24 -4.55 114.94 114.14 1wrv s ASN 215 Ca 0.49 0.64 -0.24 0.00 -0.71 0.00 0.00 52.86 53.04 1wrv s ASN 215 Cb 0.28 -1.57 -0.10 0.00 0.41 0.00 0.00 41.25 40.27 1wrv s ASN 215 CO 0.30 -1.15 0.96 -0.22 -1.51 0.00 0.00 177.10 175.48 1wrv s LEU 216 N -5.02 4.20 -1.03 0.60 2.96 -1.11 -4.40 118.68 114.88 1wrv s LEU 216 Ca 0.55 1.82 -0.21 0.00 -0.22 0.00 0.00 54.13 56.07 1wrv s LEU 216 Cb -0.11 -4.18 0.08 0.00 0.50 0.00 0.00 46.19 42.48 1wrv s LEU 216 CO 0.45 -0.20 1.40 -1.61 -1.32 0.00 0.00 176.35 175.06 1wrv s GLU 217 N -2.42 3.65 0.33 1.98 2.02 -1.26 -4.96 118.70 118.04 1wrv s GLU 217 Ca 0.54 -1.42 -0.29 0.00 0.02 0.00 0.00 54.97 53.82 1wrv s GLU 217 Cb -0.16 -5.26 -0.11 0.00 0.10 0.00 0.00 34.13 28.70 1wrv s GLU 217 CO 0.21 -2.09 1.51 0.20 0.02 0.00 0.00 175.26 175.11 1wrv s GLY 218 N 4.49 2.58 0.17 -1.39 0.00 -1.26 -4.92 107.32 106.99 1wrv s GLY 218 Ca 0.43 1.53 0.05 0.00 0.00 0.00 0.00 44.72 46.73 1wrv s GLY 218 CO -0.08 2.34 1.40 -2.22 0.00 0.00 0.00 173.10 174.54 1wrv h ILE 219 N 3.19 1.54 -0.30 0.90 1.08 -1.97 -1.95 117.51 120.00 1wrv h ILE 219 Ca -0.49 -2.74 -0.18 0.00 -0.39 0.00 0.00 64.86 61.06 1wrv h ILE 219 Cb 1.23 2.51 -0.00 0.00 -3.07 0.00 0.00 36.82 37.49 1wrv h ILE 219 CO 0.71 0.79 -0.52 0.74 -0.69 0.00 0.00 178.15 179.19 1wrv h THR 220 N 0.05 1.28 -0.45 -0.27 2.02 -1.91 -0.46 112.91 113.17 1wrv h THR 220 Ca -0.03 -1.70 0.02 0.00 0.77 0.00 0.00 66.41 65.47 1wrv h THR 220 Cb 1.50 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 69.47 1wrv h THR 220 CO 0.12 0.56 0.26 -0.09 0.37 0.00 0.00 175.52 176.74 1wrv h ARG 221 N 0.67 0.51 -0.49 6.66 2.43 -1.85 0.12 114.38 122.42 1wrv h ARG 221 Ca 0.02 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1wrv h ARG 221 Cb 1.12 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 1wrv h ARG 221 CO 0.12 0.34 0.26 0.22 -1.51 0.00 0.00 179.97 179.39 1wrv h ASP 222 N 0.52 0.63 -0.57 -3.80 3.58 -1.15 -1.29 116.42 114.35 1wrv h ASP 222 Ca 0.18 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 1wrv h ASP 222 Cb 0.03 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 1wrv h ASP 222 CO -0.09 0.56 0.24 0.28 -2.88 0.00 0.00 179.24 177.35 1wrv h SER 223 N 0.65 0.77 -0.59 2.28 0.02 -0.59 -2.12 113.55 113.98 1wrv h SER 223 Ca 0.17 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1wrv h SER 223 Cb 0.08 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1wrv h SER 223 CO -0.02 0.72 0.15 0.58 -1.14 0.00 0.00 176.83 177.12 1wrv h VAL 224 N 0.77 1.24 -0.39 2.27 2.07 -0.54 -0.38 116.25 121.30 1wrv h VAL 224 Ca 0.19 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.76 1wrv h VAL 224 Cb 0.18 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1wrv h VAL 224 CO -0.02 0.34 0.03 0.40 0.02 0.00 0.00 177.57 178.34 1wrv h ILE 225 N 0.93 1.25 -0.23 4.57 2.04 -1.00 0.13 117.51 125.21 1wrv h ILE 225 Ca 0.20 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 1wrv h ILE 225 Cb 0.33 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1wrv h ILE 225 CO -0.00 0.32 0.11 -0.09 0.00 0.00 0.00 178.15 178.49 1wrv h ARG 226 N 0.50 0.32 -0.31 2.37 2.43 -1.15 -0.65 114.38 117.89 1wrv h ARG 226 Ca 0.11 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1wrv h ARG 226 Cb 0.42 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1wrv h ARG 226 CO 0.01 0.32 0.17 0.82 -1.51 0.00 0.00 179.97 179.78 1wrv h ILE 227 N 0.24 1.01 -0.36 1.20 2.04 -0.92 0.41 117.51 121.14 1wrv h ILE 227 Ca 0.08 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1wrv h ILE 227 Cb 0.10 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1wrv h ILE 227 CO -0.01 0.06 0.13 0.00 0.00 0.00 0.00 178.15 178.33 1wrv h ALA 228 N 1.15 0.41 -0.65 1.87 0.00 -0.48 -0.37 119.26 121.19 1wrv h ALA 228 Ca 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1wrv h ALA 228 Cb 0.03 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1wrv h ALA 228 CO -0.08 -0.26 0.28 0.87 0.00 0.00 0.00 179.25 180.06 1wrv h LYS 229 N 0.28 0.95 -0.10 0.00 1.57 -0.80 -1.12 116.57 117.35 1wrv h LYS 229 Ca 0.16 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1wrv h LYS 229 Cb 0.13 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1wrv h LYS 229 CO -0.16 0.78 -0.05 -0.44 -0.57 0.00 0.00 179.45 179.01 1wrv h ASP 230 N 0.90 0.13 1.02 0.86 3.32 -0.23 -0.67 116.42 121.76 1wrv h ASP 230 Ca 0.22 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1wrv h ASP 230 Cb 0.16 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1wrv h ASP 230 CO -0.02 0.21 0.00 0.18 -1.72 0.00 0.00 179.24 177.89 1wrv n LEU 231 N -4.40 0.12 0.00 1.55 4.77 -0.21 -4.91 117.00 113.92 1wrv n LEU 231 Ca -0.01 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1wrv n LEU 231 Cb 0.18 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1wrv n LEU 231 CO 0.36 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1wrv n GLY 232 N 1.34 0.88 3.80 -0.72 0.00 -0.26 -5.09 105.19 105.14 1wrv n GLY 232 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1wrv n GLY 232 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wrv s TYR 233 N -2.00 3.51 0.00 1.61 2.02 -0.47 -5.00 117.35 117.03 1wrv s TYR 233 Ca 0.00 1.70 -0.25 0.00 -0.37 0.00 0.00 57.07 58.16 1wrv s TYR 233 Cb 0.00 -2.90 -0.05 0.00 -0.40 0.00 0.00 41.96 38.62 1wrv s TYR 233 CO 0.00 0.05 0.76 -2.00 -1.57 0.00 0.00 175.55 172.79 1wrv s GLU 234 N -2.57 4.48 -0.11 -0.62 2.12 -1.26 -4.25 118.70 116.49 1wrv s GLU 234 Ca 0.56 1.03 0.02 0.00 0.36 0.00 0.00 54.97 56.94 1wrv s GLU 234 Cb -0.14 -3.40 0.01 0.00 0.26 0.00 0.00 34.13 30.86 1wrv s GLU 234 CO 0.19 0.18 -0.18 0.08 -0.54 0.00 0.00 175.26 174.99 1wrv s VAL 235 N 0.32 1.72 0.12 3.70 1.01 -1.26 -1.59 120.40 124.42 1wrv s VAL 235 Ca 0.39 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.69 1wrv s VAL 235 Cb -0.20 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1wrv s VAL 235 CO 0.22 0.48 -0.25 -1.10 0.00 0.00 0.00 175.10 174.45 1wrv s GLN 236 N 0.78 1.53 -0.22 2.72 -0.21 -0.12 -5.00 119.66 119.14 1wrv s GLN 236 Ca -0.10 -1.29 -0.03 0.00 0.02 0.00 0.00 55.36 53.97 1wrv s GLN 236 Cb -0.16 -1.96 0.00 0.00 1.00 0.00 0.00 33.01 31.90 1wrv s GLN 236 CO 0.01 0.46 -0.07 0.08 -2.12 0.00 0.00 175.29 173.65 1wrv s VAL 237 N -1.06 3.06 0.23 1.09 1.01 -1.26 -0.62 120.40 122.85 1wrv s VAL 237 Ca 0.15 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1wrv s VAL 237 Cb -0.10 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1wrv s VAL 237 CO 0.07 0.41 0.14 0.68 0.00 0.00 0.00 175.10 176.39 1wrv s VAL 238 N 1.42 0.10 0.09 2.92 -7.23 -0.40 -4.81 120.40 112.49 1wrv s VAL 238 Ca 0.05 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.11 1wrv s VAL 238 Cb -0.14 -2.52 -0.06 0.00 0.56 0.00 0.00 36.38 34.22 1wrv s VAL 238 CO -0.05 0.00 0.42 -0.60 -0.31 0.00 0.00 175.10 174.56 1wrv s ARG 239 N -4.06 3.79 0.04 4.82 3.52 -1.26 -0.73 118.95 125.07 1wrv s ARG 239 Ca 0.39 0.22 0.00 0.00 -0.13 0.00 0.00 55.73 56.21 1wrv s ARG 239 Cb 0.07 -2.99 -0.03 0.00 -1.56 0.00 0.00 34.95 30.44 1wrv s ARG 239 CO 0.14 0.55 -0.04 0.00 -0.81 0.00 0.00 175.30 175.14 1wrv s ALA 240 N -1.40 0.42 0.35 6.12 0.00 -1.26 -5.00 121.76 120.99 1wrv s ALA 240 Ca 0.33 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.47 1wrv s ALA 240 Cb -0.14 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 1wrv s ALA 240 CO 0.18 -0.20 0.32 0.95 0.00 0.00 0.00 175.76 177.01 1wrv s THR 241 N -2.43 3.37 0.22 0.00 -4.23 -1.26 -0.70 115.64 110.61 1wrv s THR 241 Ca -0.05 -1.34 -0.08 0.00 -1.18 0.00 0.00 61.69 59.04 1wrv s THR 241 Cb -0.03 -3.15 0.19 0.00 1.34 0.00 0.00 72.50 70.85 1wrv s THR 241 CO -0.04 -0.14 1.84 0.08 -0.54 0.00 0.00 174.62 175.83 1wrv h ARG 242 N 1.18 1.20 0.00 3.99 0.11 -1.94 -2.04 114.38 116.88 1wrv h ARG 242 Ca -0.44 -0.14 0.00 0.00 0.10 0.00 0.00 59.98 59.50 1wrv h ARG 242 Cb 1.26 -0.23 0.00 0.00 1.11 0.00 0.00 29.97 32.10 1wrv h ARG 242 CO 0.58 0.89 0.00 -0.40 0.10 0.00 0.00 179.97 181.13 1wrv n ASP 243 N -4.36 0.59 0.07 0.08 5.75 -1.26 -1.47 116.55 115.96 1wrv n ASP 243 Ca 0.09 0.60 -0.08 0.00 -0.01 0.00 0.00 54.79 55.39 1wrv n ASP 243 Cb 0.10 -0.74 0.05 0.00 -1.03 0.00 0.00 41.12 39.50 1wrv n ASP 243 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1wrv h GLN 244 N 0.00 0.28 -0.16 0.11 4.20 -1.77 -2.69 115.11 115.09 1wrv h GLN 244 Ca 0.00 -0.24 -0.12 0.00 0.06 0.00 0.00 58.65 58.35 1wrv h GLN 244 Cb 0.49 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1wrv h GLN 244 CO 0.00 0.89 -0.36 -0.07 -0.67 0.00 0.00 178.83 178.62 1wrv h LEU 245 N 0.19 0.60 -1.34 1.46 3.38 -1.16 -2.60 115.31 115.83 1wrv h LEU 245 Ca -0.03 -0.56 0.17 0.00 0.09 0.00 0.00 57.88 57.55 1wrv h LEU 245 Cb 1.29 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 1wrv h LEU 245 CO 0.12 1.05 0.58 1.88 0.09 0.00 0.00 178.44 182.16 1wrv h TYR 246 N 0.17 0.74 -0.07 1.13 0.99 -1.19 -1.09 116.97 117.66 1wrv h TYR 246 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1wrv h TYR 246 Cb 0.96 -0.23 0.00 0.00 1.00 0.00 0.00 36.73 38.46 1wrv h TYR 246 CO 0.10 0.24 0.00 -1.33 -0.00 0.00 0.00 178.16 177.17 1wrv n MET 247 N -4.56 1.93 -1.58 4.88 2.81 -1.02 -4.62 117.12 114.95 1wrv n MET 247 Ca 0.18 -1.36 -0.32 0.00 -1.81 0.00 0.00 57.70 54.40 1wrv n MET 247 Cb 0.55 -1.47 0.06 0.00 -0.71 0.00 0.00 33.22 31.65 1wrv n MET 247 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wrv s ALA 248 N -1.93 2.46 0.19 3.04 0.00 -0.41 -4.93 121.76 120.17 1wrv s ALA 248 Ca 0.34 0.35 0.05 0.00 0.00 0.00 0.00 51.96 52.70 1wrv s ALA 248 Cb 0.20 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 20.14 1wrv s ALA 248 CO 0.31 -1.38 1.44 -0.44 0.00 0.00 0.00 175.76 175.69 1wrv h ASP 249 N -0.46 0.16 -5.07 0.00 3.32 -0.67 -3.21 116.42 110.49 1wrv h ASP 249 Ca -0.45 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 56.40 1wrv h ASP 249 Cb 1.23 -0.05 -0.15 0.00 0.22 0.00 0.00 39.33 40.58 1wrv h ASP 249 CO 0.54 0.89 -0.17 -1.61 -1.72 0.00 0.00 179.24 177.17 1wrv s GLU 250 N -3.29 0.92 -0.03 3.56 2.02 -0.99 -4.09 118.70 116.79 1wrv s GLU 250 Ca -0.02 -0.56 -0.03 0.00 0.02 0.00 0.00 54.97 54.38 1wrv s GLU 250 Cb 0.11 0.40 0.01 0.00 0.10 0.00 0.00 34.13 34.75 1wrv s GLU 250 CO 0.81 -0.32 0.07 0.08 0.02 0.00 0.00 175.26 175.92 1wrv s VAL 251 N -3.00 0.00 0.14 2.63 1.01 -1.26 -0.10 120.40 119.82 1wrv s VAL 251 Ca -0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 1wrv s VAL 251 Cb 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 36.38 36.29 1wrv s VAL 251 CO -0.06 -0.00 0.35 0.72 0.00 0.00 0.00 175.10 176.11 1wrv s PHE 252 N 0.03 0.01 0.11 5.22 -0.71 -0.58 -0.04 117.98 122.02 1wrv s PHE 252 Ca -0.00 -0.37 0.06 0.00 -1.04 0.00 0.00 56.93 55.58 1wrv s PHE 252 Cb -0.01 0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.92 1wrv s PHE 252 CO 0.00 -0.71 -0.15 0.00 -1.34 0.00 0.00 175.22 173.03 1wrv s MET 253 N -3.86 1.00 0.11 1.99 0.23 -0.41 -0.86 119.30 117.50 1wrv s MET 253 Ca 0.07 -1.19 0.07 0.00 -1.03 0.00 0.00 55.69 53.61 1wrv s MET 253 Cb 0.02 -0.93 -0.03 0.00 -1.53 0.00 0.00 34.83 32.36 1wrv s MET 253 CO -0.08 0.18 -0.18 0.95 -2.03 0.00 0.00 175.02 173.87 1wrv s THR 254 N -1.95 1.54 0.00 3.16 -4.23 0.14 -0.79 115.64 113.51 1wrv s THR 254 Ca 0.07 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1wrv s THR 254 Cb -0.06 -1.49 0.00 0.00 1.34 0.00 0.00 72.50 72.29 1wrv s THR 254 CO 0.03 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 1wrv n GLY 255 N 0.94 0.64 0.23 3.99 0.00 -0.79 -0.78 105.19 109.42 1wrv n GLY 255 Ca -0.18 -0.65 -0.03 0.00 0.00 0.00 0.00 46.02 45.15 1wrv n GLY 255 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1wrv h THR 256 N 0.01 0.97 0.09 2.61 2.02 -1.88 1.09 112.91 117.83 1wrv h THR 256 Ca 0.00 -0.21 -0.28 0.00 0.77 0.00 0.00 66.41 66.69 1wrv h THR 256 Cb 0.00 0.32 0.02 0.00 -1.74 0.00 0.00 68.15 66.75 1wrv h THR 256 CO 0.00 0.11 -1.18 0.00 0.37 0.00 0.00 175.52 174.82 1wrv h ALA 257 N 1.30 0.08 0.00 6.16 0.00 -1.93 -3.29 119.26 121.58 1wrv h ALA 257 Ca 0.26 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1wrv h ALA 257 Cb 0.14 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1wrv h ALA 257 CO -0.16 0.75 -0.15 0.00 0.00 0.00 0.00 179.25 179.69 1wrv n ALA 258 N -2.63 2.66 -0.55 0.00 0.00 -1.04 -4.98 120.51 113.96 1wrv n ALA 258 Ca -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1wrv n ALA 258 Cb 0.96 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1wrv n ALA 258 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wrv n GLU 259 N -1.55 0.00 -3.95 0.00 1.02 0.37 -3.27 120.64 113.27 1wrv n GLU 259 Ca 0.06 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.86 1wrv n GLU 259 Cb 0.35 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.62 1wrv n GLU 259 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wrv s VAL 260 N 0.00 2.85 -0.25 2.62 1.01 -1.26 -1.89 120.40 123.47 1wrv s VAL 260 Ca 0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 61.98 60.69 1wrv s VAL 260 Cb 0.00 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.84 1wrv s VAL 260 CO 0.00 0.03 -0.04 -0.89 0.00 0.00 0.00 175.10 174.19 1wrv s THR 261 N 1.26 3.05 0.55 3.92 2.01 0.03 -4.75 115.64 121.72 1wrv s THR 261 Ca -0.03 -0.91 -0.20 0.00 0.31 0.00 0.00 61.69 60.86 1wrv s THR 261 Cb -0.18 -2.53 -0.05 0.00 0.01 0.00 0.00 72.50 69.74 1wrv s THR 261 CO -0.03 0.22 1.16 -2.16 -0.69 0.00 0.00 174.62 173.12 1wrv s PRO 262 N 1.37 3.26 -0.26 4.92 0.04 -1.26 -1.28 135.00 141.78 1wrv s PRO 262 Ca 0.01 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 62.74 1wrv s PRO 262 Cb -0.16 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.39 1wrv s PRO 262 CO -0.04 -0.95 -0.04 0.08 0.04 0.00 0.00 177.00 176.09 1wrv s VAL 263 N -1.68 2.95 -0.49 -0.36 1.01 0.94 -0.63 120.40 122.14 1wrv s VAL 263 Ca 0.74 -1.08 0.23 0.00 0.00 0.00 0.00 61.98 61.87 1wrv s VAL 263 Cb -0.27 -2.54 -0.06 0.00 0.00 0.00 0.00 36.38 33.51 1wrv s VAL 263 CO 0.30 0.13 1.07 -1.54 0.00 0.00 0.00 175.10 175.06 1wrv n SER 264 N 4.67 0.65 -3.68 3.32 3.41 -0.57 -4.08 113.62 117.34 1wrv n SER 264 Ca -0.16 0.02 -0.14 0.00 -0.26 0.00 0.00 58.87 58.33 1wrv n SER 264 Cb 0.46 0.63 -0.08 0.00 -0.26 0.00 0.00 64.21 64.96 1wrv n SER 264 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1wrv s MET 265 N -3.25 0.67 -0.06 4.33 -2.45 -1.22 -1.11 119.30 116.21 1wrv s MET 265 Ca 0.02 0.67 -0.00 0.00 -1.25 0.00 0.00 55.69 55.14 1wrv s MET 265 Cb 0.13 0.32 0.02 0.00 1.25 0.00 0.00 34.83 36.56 1wrv s MET 265 CO 0.79 -0.10 -0.03 0.42 1.05 0.00 0.00 175.02 177.15 1wrv s ILE 266 N 0.10 0.51 -1.43 10.11 1.01 -0.67 -0.44 121.20 130.39 1wrv s ILE 266 Ca -0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 1wrv s ILE 266 Cb -0.04 -0.59 0.05 0.00 0.01 0.00 0.00 42.46 41.89 1wrv s ILE 266 CO 0.02 0.25 0.91 0.47 0.00 0.00 0.00 174.94 176.59 1wrv n ASP 267 N 4.55 -3.68 -0.75 3.58 8.00 -0.06 -1.14 116.55 127.05 1wrv n ASP 267 Ca -0.17 -0.76 -0.10 0.00 0.71 0.00 0.00 54.79 54.47 1wrv n ASP 267 Cb 0.50 -4.11 -0.04 0.00 -0.02 0.00 0.00 41.12 37.45 1wrv n ASP 267 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1wrv n TRP 268 N -4.57 0.00 -3.84 1.24 7.02 -1.26 -4.95 117.44 111.08 1wrv n TRP 268 Ca -0.09 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.04 1wrv n TRP 268 Cb 0.58 -2.54 -0.13 0.00 -2.42 0.00 0.00 31.31 26.80 1wrv n TRP 268 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1wrv s ARG 269 N -2.74 3.33 0.40 -0.99 0.52 -0.29 -5.08 118.95 114.10 1wrv s ARG 269 Ca 0.00 -0.67 -0.27 0.00 -0.52 0.00 0.00 55.73 54.27 1wrv s ARG 269 Cb 0.00 -3.17 -0.10 0.00 0.52 0.00 0.00 34.95 32.20 1wrv s ARG 269 CO 0.00 -0.27 1.41 -1.25 0.02 0.00 0.00 175.30 175.21 1wrv s PRO 270 N 1.51 4.00 -0.34 3.54 0.04 -1.26 -1.66 135.00 140.81 1wrv s PRO 270 Ca 0.05 2.39 -0.16 0.00 0.04 0.00 0.00 61.00 63.32 1wrv s PRO 270 Cb -0.15 -2.85 -0.01 0.00 0.04 0.00 0.00 34.50 31.52 1wrv s PRO 270 CO -0.00 -0.56 0.40 0.42 0.04 0.00 0.00 177.00 177.30 1wrv s ILE 271 N -1.17 5.13 0.00 0.56 -1.09 -0.27 -4.80 121.20 119.55 1wrv s ILE 271 Ca 0.55 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 59.11 1wrv s ILE 271 Cb -0.43 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 36.59 1wrv s ILE 271 CO 0.57 -0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 1wrv n GLY 272 N 4.90 3.75 0.13 6.18 0.00 -1.22 -0.90 105.19 118.04 1wrv n GLY 272 Ca -0.08 0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1wrv n GLY 272 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wrv n LYS 273 N 11.82 0.19 -0.66 1.61 5.02 -1.26 -4.87 118.16 130.01 1wrv n LYS 273 Ca 0.00 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1wrv n LYS 273 Cb 0.00 -1.86 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 1wrv n LYS 273 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wrv n GLY 274 N -0.06 0.74 3.25 0.72 0.00 -0.08 -5.02 105.19 104.74 1wrv n GLY 274 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 1wrv n GLY 274 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wrv s THR 275 N -2.56 0.00 0.19 2.61 -4.23 -1.26 -4.80 115.64 105.59 1wrv s THR 275 Ca 0.00 -1.96 -0.33 0.00 -1.18 0.00 0.00 61.69 58.22 1wrv s THR 275 Cb 0.00 -2.49 -0.13 0.00 1.34 0.00 0.00 72.50 71.21 1wrv s THR 275 CO 0.00 0.00 1.59 0.00 -0.54 0.00 0.00 174.62 175.67 1wrv n ALA 276 N -0.40 1.77 -2.19 3.99 0.00 -1.26 -4.73 120.51 117.69 1wrv n ALA 276 Ca 0.04 0.43 -0.23 0.00 0.00 0.00 0.00 53.44 53.68 1wrv n ALA 276 Cb 0.64 -2.39 0.02 0.00 0.00 0.00 0.00 19.45 17.73 1wrv n ALA 276 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wrv s GLY 277 N 0.86 1.65 0.23 0.00 0.00 -1.26 -4.97 107.32 103.83 1wrv s GLY 277 Ca 0.75 -1.12 -0.07 0.00 0.00 0.00 0.00 44.72 44.28 1wrv s GLY 277 CO 0.39 -0.90 1.86 -0.56 0.00 0.00 0.00 173.10 173.89 1wrv h PRO 278 N 0.24 0.96 0.11 2.90 0.13 -1.97 -2.24 132.00 132.14 1wrv h PRO 278 Ca -0.45 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1wrv h PRO 278 Cb 1.27 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1wrv h PRO 278 CO 0.56 0.63 -0.05 0.28 -0.23 0.00 0.00 178.00 179.19 1wrv h VAL 279 N 0.99 1.01 -0.59 1.56 2.07 -1.99 -1.24 116.25 118.06 1wrv h VAL 279 Ca 0.34 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1wrv h VAL 279 Cb 0.06 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1wrv h VAL 279 CO -0.13 0.11 0.34 0.00 0.02 0.00 0.00 177.57 177.91 1wrv h ALA 280 N 0.50 0.75 -0.69 1.67 0.00 -1.94 -0.89 119.26 118.65 1wrv h ALA 280 Ca -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1wrv h ALA 280 Cb 0.30 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1wrv h ALA 280 CO 0.02 0.25 0.27 -0.07 0.00 0.00 0.00 179.25 179.72 1wrv h LEU 281 N 0.79 0.94 -0.21 0.00 3.38 -1.38 -1.22 115.31 117.61 1wrv h LEU 281 Ca 0.21 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1wrv h LEU 281 Cb 0.01 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1wrv h LEU 281 CO -0.04 0.84 -0.30 -0.09 0.09 0.00 0.00 178.44 178.95 1wrv h ARG 282 N 1.00 0.58 -0.69 1.13 2.43 -0.88 -1.67 114.38 116.28 1wrv h ARG 282 Ca 0.23 -0.34 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1wrv h ARG 282 Cb 0.20 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1wrv h ARG 282 CO -0.02 0.94 0.30 -0.07 -1.51 0.00 0.00 179.97 179.61 1wrv h LEU 283 N 0.26 0.91 -0.18 3.80 3.38 -1.01 -0.20 115.31 122.27 1wrv h LEU 283 Ca 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1wrv h LEU 283 Cb 0.88 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1wrv h LEU 283 CO 0.07 0.79 0.06 -0.09 0.09 0.00 0.00 178.44 179.36 1wrv h ARG 284 N 0.98 0.27 -0.47 1.13 2.43 -1.15 -0.14 114.38 117.43 1wrv h ARG 284 Ca 0.23 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1wrv h ARG 284 Cb 0.15 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1wrv h ARG 284 CO -0.02 0.36 0.16 1.49 -1.51 0.00 0.00 179.97 180.45 1wrv h GLU 285 N 0.12 0.72 -0.21 0.20 4.57 -0.93 -0.76 114.58 118.30 1wrv h GLU 285 Ca 0.06 -0.15 -0.08 0.00 -1.18 0.00 0.00 59.36 58.01 1wrv h GLU 285 Cb 0.20 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1wrv h GLU 285 CO -0.00 0.67 -0.21 0.28 -1.18 0.00 0.00 179.01 178.57 1wrv h VAL 286 N 0.62 1.24 -0.40 0.32 2.07 -0.99 -1.02 116.25 118.09 1wrv h VAL 286 Ca 0.15 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1wrv h VAL 286 Cb 0.24 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1wrv h VAL 286 CO -0.01 0.35 0.04 0.22 0.02 0.00 0.00 177.57 178.19 1wrv h TYR 287 N 0.33 0.74 -0.41 1.57 5.03 -0.65 -0.85 116.97 122.72 1wrv h TYR 287 Ca 0.06 -0.11 -0.04 0.00 2.58 0.00 0.00 58.73 61.21 1wrv h TYR 287 Cb 0.56 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.63 1wrv h TYR 287 CO 0.01 0.74 0.09 -0.07 -1.32 0.00 0.00 178.16 177.61 1wrv h LEU 288 N 0.53 0.57 -0.88 2.82 3.38 -0.68 -0.80 115.31 120.24 1wrv h LEU 288 Ca 0.12 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1wrv h LEU 288 Cb 0.42 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1wrv h LEU 288 CO 0.01 0.57 -0.33 -0.33 0.09 0.00 0.00 178.44 178.46 1wrv h GLU 289 N 0.60 0.43 -0.05 1.13 5.08 -0.82 -2.23 114.58 118.73 1wrv h GLU 289 Ca 0.14 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1wrv h GLU 289 Cb 0.24 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1wrv h GLU 289 CO -0.00 0.72 -0.06 0.00 -1.00 0.00 0.00 179.01 178.66 1wrv h ALA 290 N 1.28 0.07 0.00 3.43 0.00 -0.21 0.75 119.26 124.58 1wrv h ALA 290 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1wrv h ALA 290 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1wrv h ALA 290 CO 0.06 -0.12 0.00 -0.39 0.00 0.00 0.00 179.25 178.80 1wrv h VAL 291 N -0.35 0.00 -0.62 0.00 -1.51 -1.15 -2.39 116.25 110.23 1wrv h VAL 291 Ca 0.01 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 1wrv h VAL 291 Cb 0.58 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 1wrv h VAL 291 CO 0.01 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 176.70 1wrv n THR 292 N -3.01 1.71 -2.29 7.19 -2.24 -0.84 -4.63 114.28 110.17 1wrv n THR 292 Ca 0.00 -1.10 -0.12 0.00 -2.27 0.00 0.00 64.05 60.56 1wrv n THR 292 Cb 0.27 0.10 -0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1wrv n THR 292 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wrv n GLY 293 N 1.11 -0.10 0.21 3.38 0.00 -0.90 -4.40 105.19 104.49 1wrv n GLY 293 Ca 0.24 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1wrv n GLY 293 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wrv n ARG 294 N -2.21 0.54 -3.93 1.61 5.12 0.25 -4.80 116.66 113.24 1wrv n ARG 294 Ca -0.13 -0.43 -0.33 0.00 -1.93 0.00 0.00 57.85 55.03 1wrv n ARG 294 Cb 0.60 -1.49 -0.14 0.00 -1.16 0.00 0.00 32.46 30.27 1wrv n ARG 294 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1wrv s ARG 295 N -2.75 1.94 0.33 5.56 1.81 -1.22 -4.98 118.95 119.63 1wrv s ARG 295 Ca 0.14 -1.66 0.10 0.00 -1.72 0.00 0.00 55.73 52.59 1wrv s ARG 295 Cb 0.17 -3.26 0.87 0.00 -0.45 0.00 0.00 34.95 32.27 1wrv s ARG 295 CO 0.70 -0.86 1.76 -1.35 -0.68 0.00 0.00 175.30 174.87 1wrv h PRO 296 N 7.84 0.61 -0.28 3.54 0.11 -1.96 -0.27 132.00 141.58 1wrv h PRO 296 Ca -0.12 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.03 1wrv h PRO 296 Cb 1.04 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1wrv h PRO 296 CO 0.57 0.40 0.29 1.05 -0.21 0.00 0.00 178.00 180.09 1wrv h GLU 297 N 0.62 0.00 -0.39 1.05 9.09 -2.01 -1.89 114.58 121.06 1wrv h GLU 297 Ca 0.61 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.02 1wrv h GLU 297 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.23 1wrv h GLU 297 CO -0.40 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.32 1wrv n TYR 298 N -3.87 0.61 0.05 2.06 0.53 -0.12 -4.59 117.16 111.83 1wrv n TYR 298 Ca 0.04 -0.55 0.14 0.00 -1.02 0.00 0.00 57.90 56.52 1wrv n TYR 298 Cb 0.43 -0.07 0.62 0.00 -1.03 0.00 0.00 39.34 39.30 1wrv n TYR 298 CO 0.00 0.00 0.00 1.49 -1.02 0.00 0.00 176.86 177.33 1wrv h GLU 299 N 2.30 0.11 -0.11 -0.72 4.57 -1.26 -1.14 114.58 118.34 1wrv h GLU 299 Ca 0.00 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1wrv h GLU 299 Cb 0.87 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.43 1wrv h GLU 299 CO 0.03 0.08 0.12 0.78 -1.18 0.00 0.00 179.01 178.84 1wrv h GLY 300 N 0.12 0.00 1.78 1.92 0.00 -1.81 -1.20 103.07 103.88 1wrv h GLY 300 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1wrv h GLY 300 CO -0.02 0.00 -0.03 0.79 0.00 0.00 0.00 176.54 177.28 1wrv n TRP 301 N -3.86 0.00 -4.11 5.60 8.01 -0.43 -4.88 117.44 117.77 1wrv n TRP 301 Ca -0.00 0.00 -0.34 0.00 -1.31 0.00 0.00 57.50 55.85 1wrv n TRP 301 Cb 0.22 -0.41 -0.07 0.00 -2.01 0.00 0.00 31.31 29.04 1wrv n TRP 301 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1wrv s LEU 302 N -2.85 3.94 -0.28 -0.99 1.02 -0.45 0.31 118.68 119.38 1wrv s LEU 302 Ca 0.19 0.21 0.02 0.00 0.02 0.00 0.00 54.13 54.57 1wrv s LEU 302 Cb 0.19 -2.17 0.08 0.00 0.02 0.00 0.00 46.19 44.31 1wrv s LEU 302 CO 0.52 0.31 -0.03 -0.89 0.02 0.00 0.00 176.35 176.28 1wrv s THR 303 N -1.11 1.90 -0.19 5.49 2.01 -0.63 -4.95 115.64 118.16 1wrv s THR 303 Ca 0.20 -1.71 -0.29 0.00 0.31 0.00 0.00 61.69 60.19 1wrv s THR 303 Cb -0.12 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.18 1wrv s THR 303 CO 0.10 -0.29 1.20 -0.31 -0.69 0.00 0.00 174.62 174.64 1wrv s TYR 304 N 1.17 2.98 0.23 4.92 1.51 -1.26 -0.95 117.35 125.94 1wrv s TYR 304 Ca -0.00 1.13 -0.07 0.00 -1.01 0.00 0.00 57.07 57.12 1wrv s TYR 304 Cb -0.19 -3.46 0.20 0.00 -0.11 0.00 0.00 41.96 38.40 1wrv s TYR 304 CO -0.08 -1.37 1.80 0.28 -1.11 0.00 0.00 175.55 175.07 1wrv h VAL 305 N 5.50 1.26 -0.01 0.71 2.07 -1.68 -3.49 116.25 120.60 1wrv h VAL 305 Ca -0.24 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1wrv h VAL 305 Cb 1.09 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1wrv h VAL 305 CO 0.98 0.33 0.00 0.59 0.02 0.00 0.00 177.57 179.48