#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u19 h ASN 2 N 0.00 0.00 -4.82 7.83 2.35 -1.87 -3.44 115.58 115.63 1u19 h ASN 2 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 1u19 h ASN 2 Cb 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.25 1u19 h ASN 2 CO 0.00 0.10 -0.46 0.61 -1.65 0.00 0.00 177.43 176.03 1u19 n GLY 3 N 0.15 3.10 3.07 2.83 0.00 -1.26 -3.50 105.19 109.58 1u19 n GLY 3 Ca 0.01 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 1u19 n GLY 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u19 s THR 4 N -3.19 3.21 0.34 2.61 2.01 0.81 -4.74 115.64 116.70 1u19 s THR 4 Ca 0.29 -2.67 -0.27 0.00 0.31 0.00 0.00 61.69 59.35 1u19 s THR 4 Cb 0.01 -3.17 -0.09 0.00 0.01 0.00 0.00 72.50 69.26 1u19 s THR 4 CO 0.21 -0.77 1.13 -0.70 -0.69 0.00 0.00 174.62 173.79 1u19 s GLU 5 N 0.38 4.35 0.43 4.92 2.12 -1.26 -0.76 118.70 128.88 1u19 s GLU 5 Ca 0.14 1.79 0.03 0.00 0.36 0.00 0.00 54.97 57.29 1u19 s GLU 5 Cb -0.22 -2.90 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 1u19 s GLU 5 CO -0.04 -0.05 0.05 0.20 -0.54 0.00 0.00 175.26 174.89 1u19 s GLY 6 N -1.06 2.66 0.10 -1.50 0.00 0.77 -4.91 107.32 103.38 1u19 s GLY 6 Ca 0.51 -1.23 0.24 0.00 0.00 0.00 0.00 44.72 44.24 1u19 s GLY 6 CO 0.39 -2.00 1.74 -1.55 0.00 0.00 0.00 173.10 171.67 1u19 n PRO 7 N -1.01 0.10 0.00 2.90 -0.04 -1.26 -3.60 135.00 132.09 1u19 n PRO 7 Ca -0.10 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1u19 n PRO 7 Cb 0.66 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1u19 n PRO 7 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1u19 n ASN 8 N -1.82 0.00 -1.08 3.54 4.05 -1.26 -5.11 115.26 113.58 1u19 n ASN 8 Ca 0.05 -0.25 -0.01 0.00 0.45 0.00 0.00 54.58 54.82 1u19 n ASN 8 Cb 0.30 0.49 -0.00 0.00 1.23 0.00 0.00 39.78 41.80 1u19 n ASN 8 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 177.26 176.43 1u19 n PHE 9 N -0.49 -0.47 -3.11 1.20 -1.74 -1.24 -4.78 117.46 106.83 1u19 n PHE 9 Ca 0.00 -0.10 0.03 0.00 -0.56 0.00 0.00 57.45 56.82 1u19 n PHE 9 Cb 0.00 0.02 -0.00 0.00 1.52 0.00 0.00 39.48 41.02 1u19 n PHE 9 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 1u19 s TYR 10 N -4.92 -1.39 -0.04 2.97 5.04 -1.26 -0.16 117.35 117.59 1u19 s TYR 10 Ca 0.01 0.50 -0.30 0.00 -2.44 0.00 0.00 57.07 54.85 1u19 s TYR 10 Cb -0.00 0.25 -0.02 0.00 0.35 0.00 0.00 41.96 42.53 1u19 s TYR 10 CO 0.01 -0.88 0.98 0.08 -1.34 0.00 0.00 175.55 174.40 1u19 s VAL 11 N 2.35 4.85 -0.64 3.14 1.01 0.06 -4.86 120.40 126.31 1u19 s VAL 11 Ca 0.15 2.03 -0.07 0.00 0.00 0.00 0.00 61.98 64.10 1u19 s VAL 11 Cb -0.05 -4.31 -0.15 0.00 0.00 0.00 0.00 36.38 31.88 1u19 s VAL 11 CO -0.17 0.11 2.86 -0.81 0.00 0.00 0.00 175.10 177.09 1u19 n PRO 12 N 4.30 2.32 -3.69 2.72 -0.04 -1.26 -0.13 135.00 139.22 1u19 n PRO 12 Ca 0.07 -1.34 -0.14 0.00 -0.04 0.00 0.00 63.50 62.05 1u19 n PRO 12 Cb 0.50 -2.27 -0.09 0.00 -0.04 0.00 0.00 33.50 31.61 1u19 n PRO 12 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1u19 s PHE 13 N 1.98 -0.59 0.50 0.54 5.36 -1.26 -3.94 117.98 120.57 1u19 s PHE 13 Ca 0.56 1.43 -0.19 0.00 -0.96 0.00 0.00 56.93 57.77 1u19 s PHE 13 Cb 0.21 0.20 -0.08 0.00 -0.34 0.00 0.00 43.02 43.01 1u19 s PHE 13 CO -0.02 -0.29 1.03 0.45 -1.46 0.00 0.00 175.22 174.93 1u19 s SER 14 N 0.25 6.31 -0.30 6.13 0.15 -1.23 -2.25 113.70 122.77 1u19 s SER 14 Ca -0.00 1.87 0.08 0.00 0.70 0.00 0.00 55.95 58.60 1u19 s SER 14 Cb -0.04 -2.55 0.50 0.00 -1.71 0.00 0.00 66.02 62.22 1u19 s SER 14 CO 0.01 -0.80 1.46 -3.20 1.20 0.00 0.00 173.24 171.91 1u19 n ASN 15 N -1.15 2.71 0.24 5.45 5.15 -1.26 -4.64 115.26 121.76 1u19 n ASN 15 Ca 0.09 -3.80 0.08 0.00 -0.60 0.00 0.00 54.58 50.35 1u19 n ASN 15 Cb 0.53 -0.63 0.59 0.00 -0.53 0.00 0.00 39.78 39.74 1u19 n ASN 15 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1u19 h LYS 16 N 1.10 0.00 -0.63 1.20 3.64 -1.93 0.13 116.57 120.07 1u19 h LYS 16 Ca 0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1u19 h LYS 16 Cb 1.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 1u19 h LYS 16 CO 0.44 0.17 0.00 0.25 -2.27 0.00 0.00 179.45 178.04 1u19 n THR 17 N -4.03 1.33 -2.44 1.00 -2.24 -1.26 -4.95 114.28 101.68 1u19 n THR 17 Ca -0.02 -1.10 -0.09 0.00 -2.27 0.00 0.00 64.05 60.57 1u19 n THR 17 Cb 0.25 0.35 -0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1u19 n THR 17 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u19 n GLY 18 N 1.23 -0.48 0.01 3.38 0.00 0.44 -4.81 105.19 104.97 1u19 n GLY 18 Ca 0.23 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.36 1u19 n GLY 18 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1u19 n VAL 19 N -3.10 0.00 -2.45 1.61 3.14 -1.26 -4.94 118.33 111.33 1u19 n VAL 19 Ca -0.10 -0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.89 1u19 n VAL 19 Cb 0.57 0.47 -0.04 0.00 -1.06 0.00 0.00 33.84 33.79 1u19 n VAL 19 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1u19 s VAL 20 N -2.99 3.47 -0.04 1.55 1.01 -1.26 -4.96 120.40 117.18 1u19 s VAL 20 Ca 0.10 1.30 -0.03 0.00 0.00 0.00 0.00 61.98 63.36 1u19 s VAL 20 Cb 0.17 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.81 1u19 s VAL 20 CO 0.74 0.17 0.10 -0.13 0.00 0.00 0.00 175.10 175.99 1u19 s ARG 21 N -2.00 0.09 -0.21 2.72 0.52 -1.26 -5.08 118.95 113.73 1u19 s ARG 21 Ca 0.52 0.17 -0.42 0.00 -0.52 0.00 0.00 55.73 55.48 1u19 s ARG 21 Cb -0.28 -0.01 -0.19 0.00 0.52 0.00 0.00 34.95 34.99 1u19 s ARG 21 CO 0.36 -0.05 1.43 0.45 0.02 0.00 0.00 175.30 177.52 1u19 n SER 22 N 3.30 1.18 -0.22 0.23 2.88 -1.26 -4.73 113.62 115.00 1u19 n SER 22 Ca -0.16 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 1u19 n SER 22 Cb 0.57 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 1u19 n SER 22 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1u19 n PRO 23 N 3.32 0.65 -0.03 -1.46 -0.04 -1.26 -0.64 135.00 135.53 1u19 n PRO 23 Ca 0.25 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.75 1u19 n PRO 23 Cb 0.06 -1.14 0.06 0.00 -0.04 0.00 0.00 33.50 32.44 1u19 n PRO 23 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1u19 n PHE 24 N -0.21 0.01 0.00 0.54 3.72 -1.26 -1.05 117.46 119.20 1u19 n PHE 24 Ca 0.00 -0.71 0.00 0.00 -0.05 0.00 0.00 57.45 56.69 1u19 n PHE 24 Cb 0.07 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 1u19 n PHE 24 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1u19 n GLU 25 N -0.89 2.10 -3.69 -1.08 1.02 0.18 -4.63 120.64 113.65 1u19 n GLU 25 Ca 0.07 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.10 1u19 n GLU 25 Cb 0.42 -0.36 -0.06 0.00 -0.02 0.00 0.00 31.44 31.42 1u19 n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u19 s ALA 26 N -0.52 -0.80 0.72 0.62 0.00 -0.79 -5.01 121.76 115.97 1u19 s ALA 26 Ca 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 51.96 51.72 1u19 s ALA 26 Cb 0.00 0.56 0.01 0.00 0.00 0.00 0.00 23.12 23.69 1u19 s ALA 26 CO 0.00 -0.57 0.98 -2.30 0.00 0.00 0.00 175.76 173.88 1u19 n PRO 27 N 0.00 0.52 -0.92 0.00 -0.02 -1.26 -4.59 135.00 128.74 1u19 n PRO 27 Ca -0.17 0.23 -0.09 0.00 -2.02 0.00 0.00 63.50 61.46 1u19 n PRO 27 Cb 0.62 -2.24 0.20 0.00 -0.02 0.00 0.00 33.50 32.06 1u19 n PRO 27 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1u19 n GLN 28 N -1.88 1.93 0.00 -0.52 1.13 -0.54 -4.72 117.38 112.78 1u19 n GLN 28 Ca 0.13 -3.16 0.03 0.00 -1.94 0.00 0.00 57.00 52.07 1u19 n GLN 28 Cb 0.49 -1.90 0.18 0.00 0.11 0.00 0.00 30.24 29.12 1u19 n GLN 28 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1u19 n TYR 29 N -1.13 0.00 1.37 1.08 4.01 -1.26 -0.11 117.16 121.13 1u19 n TYR 29 Ca 0.40 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 58.27 1u19 n TYR 29 Cb 1.19 -0.21 0.54 0.00 -0.31 0.00 0.00 39.34 40.55 1u19 n TYR 29 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1u19 n TYR 30 N -1.21 0.00 -0.02 -0.72 0.18 -1.26 -3.35 117.16 110.79 1u19 n TYR 30 Ca 0.04 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.79 1u19 n TYR 30 Cb 0.05 -0.15 -0.12 0.00 -0.38 0.00 0.00 39.34 38.74 1u19 n TYR 30 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1u19 n LEU 31 N -0.78 0.54 -3.69 -3.48 4.77 0.85 -5.01 117.00 110.20 1u19 n LEU 31 Ca 0.14 0.25 -0.07 0.00 -0.03 0.00 0.00 56.01 56.30 1u19 n LEU 31 Cb 0.30 0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1u19 n LEU 31 CO 0.24 0.26 0.59 0.00 -1.33 0.00 0.00 177.39 177.15 1u19 s ALA 32 N -2.82 -1.55 0.50 -1.18 0.00 -1.21 -4.83 121.76 110.66 1u19 s ALA 32 Ca -0.06 0.21 -0.23 0.00 0.00 0.00 0.00 51.96 51.89 1u19 s ALA 32 Cb 0.08 0.70 -0.06 0.00 0.00 0.00 0.00 23.12 23.85 1u19 s ALA 32 CO 0.83 -0.94 1.28 -1.21 0.00 0.00 0.00 175.76 175.72 1u19 s GLU 33 N -3.51 3.44 0.45 0.00 0.41 -1.26 -4.46 118.70 113.77 1u19 s GLU 33 Ca 0.09 2.06 0.11 0.00 -0.41 0.00 0.00 54.97 56.82 1u19 s GLU 33 Cb -0.03 -2.36 1.00 0.00 -1.78 0.00 0.00 34.13 30.97 1u19 s GLU 33 CO -0.01 -0.89 2.05 -1.35 -0.49 0.00 0.00 175.26 174.57 1u19 h PRO 34 N 1.78 0.22 0.00 0.39 0.11 -1.98 -2.25 132.00 130.28 1u19 h PRO 34 Ca -0.50 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 1u19 h PRO 34 Cb 1.28 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1u19 h PRO 34 CO 0.59 0.22 -0.19 0.11 -0.21 0.00 0.00 178.00 178.52 1u19 h TRP 35 N 0.23 0.00 -0.10 0.65 5.08 -1.99 -1.66 115.95 118.15 1u19 h TRP 35 Ca 0.06 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.92 1u19 h TRP 35 Cb 0.11 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.25 1u19 h TRP 35 CO 0.00 0.19 -0.41 1.96 -1.28 0.00 0.00 178.44 178.90 1u19 h GLN 36 N 0.00 0.22 -0.15 0.12 4.20 -1.78 -0.53 115.11 117.19 1u19 h GLN 36 Ca -0.00 -0.10 -0.14 0.00 0.06 0.00 0.00 58.65 58.46 1u19 h GLN 36 Cb 0.34 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1u19 h GLN 36 CO 0.02 0.60 -0.51 0.74 -0.67 0.00 0.00 178.83 179.01 1u19 h PHE 37 N 0.19 0.51 -0.32 2.96 -1.00 -1.34 -2.29 116.94 115.65 1u19 h PHE 37 Ca 0.02 -0.17 -0.02 0.00 2.81 0.00 0.00 57.97 60.61 1u19 h PHE 37 Cb 0.80 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 40.24 1u19 h PHE 37 CO 0.01 0.84 0.11 0.77 -1.61 0.00 0.00 178.31 178.44 1u19 h SER 38 N 0.33 0.41 0.40 2.17 0.02 -0.83 0.82 113.55 116.87 1u19 h SER 38 Ca 0.01 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1u19 h SER 38 Cb 1.01 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1u19 h SER 38 CO 0.09 0.39 -0.19 0.24 -1.14 0.00 0.00 176.83 176.21 1u19 h MET 39 N 0.45 -0.52 -0.47 3.45 2.86 -0.67 0.94 114.93 120.97 1u19 h MET 39 Ca 0.11 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.86 1u19 h MET 39 Cb 0.12 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.84 1u19 h MET 39 CO -0.01 -0.29 0.11 -0.07 1.06 0.00 0.00 176.91 177.71 1u19 h LEU 40 N -0.65 0.03 0.23 1.22 3.38 -0.83 0.39 115.31 119.09 1u19 h LEU 40 Ca -0.06 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1u19 h LEU 40 Cb 0.47 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1u19 h LEU 40 CO 0.09 0.05 -0.11 0.00 0.09 0.00 0.00 178.44 178.56 1u19 h ALA 41 N 1.36 -0.31 -0.44 1.53 0.00 -0.57 0.31 119.26 121.13 1u19 h ALA 41 Ca 0.23 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1u19 h ALA 41 Cb 0.30 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1u19 h ALA 41 CO -0.29 -0.65 0.12 0.00 0.00 0.00 0.00 179.25 178.43 1u19 h ALA 42 N 0.39 0.51 0.43 0.00 0.00 0.14 -0.92 119.26 119.81 1u19 h ALA 42 Ca -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1u19 h ALA 42 Cb 0.28 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1u19 h ALA 42 CO 0.05 -0.27 -0.31 -0.92 0.00 0.00 0.00 179.25 177.80 1u19 h TYR 43 N 0.28 -0.83 -0.43 0.00 3.20 0.09 -1.54 116.97 117.74 1u19 h TYR 43 Ca 0.21 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.17 1u19 h TYR 43 Cb 0.24 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1u19 h TYR 43 CO -0.18 -0.46 0.30 0.52 -1.64 0.00 0.00 178.16 176.69 1u19 h MET 44 N -0.73 0.16 0.06 1.82 2.86 -0.13 -0.61 114.93 118.36 1u19 h MET 44 Ca -0.04 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1u19 h MET 44 Cb 0.62 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1u19 h MET 44 CO 0.01 0.11 -0.03 0.35 1.06 0.00 0.00 176.91 178.41 1u19 h PHE 45 N 0.16 -0.07 -0.56 -0.22 3.57 -0.57 -2.17 116.94 117.08 1u19 h PHE 45 Ca 0.20 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1u19 h PHE 45 Cb 0.58 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 1u19 h PHE 45 CO -0.00 0.21 0.21 -0.07 -2.23 0.00 0.00 178.31 176.43 1u19 h LEU 46 N -0.35 0.75 -0.93 0.59 3.38 -0.23 -1.62 115.31 116.90 1u19 h LEU 46 Ca -0.01 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1u19 h LEU 46 Cb 0.31 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1u19 h LEU 46 CO 0.01 0.69 0.14 -0.07 0.09 0.00 0.00 178.44 179.31 1u19 h LEU 47 N 0.81 0.87 -0.66 1.67 3.38 -1.11 -1.66 115.31 118.62 1u19 h LEU 47 Ca 0.19 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1u19 h LEU 47 Cb 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1u19 h LEU 47 CO -0.01 0.85 -0.58 0.40 0.09 0.00 0.00 178.44 179.19 1u19 h ILE 48 N 0.89 1.37 0.00 1.22 2.04 -0.81 0.34 117.51 122.56 1u19 h ILE 48 Ca 0.19 -1.91 -0.06 0.00 1.00 0.00 0.00 64.86 64.08 1u19 h ILE 48 Cb 0.32 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1u19 h ILE 48 CO -0.00 0.57 -0.31 -0.03 0.00 0.00 0.00 178.15 178.38 1u19 h MET 49 N 0.22 0.00 0.03 2.37 4.05 -0.91 -2.51 114.93 118.17 1u19 h MET 49 Ca -0.00 0.00 -0.32 0.00 -0.28 0.00 0.00 59.70 59.09 1u19 h MET 49 Cb 1.08 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.84 1u19 h MET 49 CO 0.09 0.31 -1.80 1.28 0.23 0.00 0.00 176.91 177.02 1u19 n LEU 50 N -3.45 2.17 0.03 3.39 4.77 -0.66 -4.33 117.00 118.91 1u19 n LEU 50 Ca 0.00 0.30 0.01 0.00 -0.03 0.00 0.00 56.01 56.30 1u19 n LEU 50 Cb 0.48 -0.97 0.34 0.00 -2.33 0.00 0.00 43.42 40.94 1u19 n LEU 50 CO 0.35 0.54 0.97 1.23 -1.33 0.00 0.00 177.39 179.15 1u19 h GLY 51 N -0.22 0.50 0.35 -0.72 0.00 -0.37 -2.55 103.07 100.06 1u19 h GLY 51 Ca -0.46 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 46.58 1u19 h GLY 51 CO -0.17 0.26 -0.17 -2.75 0.00 0.00 0.00 176.54 173.71 1u19 h PHE 52 N 0.46 -0.44 -0.36 5.60 3.57 -1.65 -2.54 116.94 121.57 1u19 h PHE 52 Ca 0.10 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.66 1u19 h PHE 52 Cb 0.26 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 1u19 h PHE 52 CO 0.01 -0.27 -0.03 -1.00 -2.23 0.00 0.00 178.31 174.79 1u19 h PRO 53 N -0.75 0.06 -0.91 6.41 0.13 -1.75 0.54 132.00 135.73 1u19 h PRO 53 Ca -0.05 -0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1u19 h PRO 53 Cb 0.36 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.43 1u19 h PRO 53 CO 0.08 0.04 0.60 0.82 -0.23 0.00 0.00 178.00 179.31 1u19 h ILE 54 N 0.07 1.23 0.10 -3.56 2.04 -1.58 0.58 117.51 116.39 1u19 h ILE 54 Ca 0.18 -0.42 -0.26 0.00 1.00 0.00 0.00 64.86 65.35 1u19 h ILE 54 Cb 0.26 -0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.24 1u19 h ILE 54 CO -0.32 0.23 -1.17 0.78 0.00 0.00 0.00 178.15 177.66 1u19 h ASN 55 N 1.23 0.50 -0.29 1.72 2.35 -1.14 -2.63 115.58 117.32 1u19 h ASN 55 Ca 0.33 -0.49 -0.13 0.00 -0.55 0.00 0.00 56.30 55.46 1u19 h ASN 55 Cb -0.14 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.06 1u19 h ASN 55 CO -0.07 1.35 -0.33 0.15 -1.65 0.00 0.00 177.43 176.87 1u19 h PHE 56 N 0.13 0.89 -0.14 1.19 3.57 -0.69 -2.09 116.94 119.81 1u19 h PHE 56 Ca -0.13 -0.28 0.01 0.00 3.53 0.00 0.00 57.97 61.11 1u19 h PHE 56 Cb 1.86 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.41 1u19 h PHE 56 CO 0.07 1.05 0.05 1.25 -2.23 0.00 0.00 178.31 178.49 1u19 h LEU 57 N 0.49 0.05 -0.53 0.59 6.46 -0.96 0.22 115.31 121.63 1u19 h LEU 57 Ca 0.04 0.01 0.09 0.00 -0.12 0.00 0.00 57.88 57.91 1u19 h LEU 57 Cb 0.91 0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.78 1u19 h LEU 57 CO 0.08 0.05 0.11 0.74 -0.62 0.00 0.00 178.44 178.80 1u19 h THR 58 N 0.11 0.70 -0.12 1.05 2.02 -1.44 0.90 112.91 116.14 1u19 h THR 58 Ca 0.06 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 1u19 h THR 58 Cb 0.04 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1u19 h THR 58 CO -0.06 0.05 0.06 0.25 0.37 0.00 0.00 175.52 176.18 1u19 h LEU 59 N 0.25 0.15 -0.42 2.58 5.85 -0.82 -2.23 115.31 120.68 1u19 h LEU 59 Ca 0.27 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1u19 h LEU 59 Cb 0.37 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1u19 h LEU 59 CO -0.34 0.22 0.20 0.22 -0.34 0.00 0.00 178.44 178.39 1u19 h TYR 60 N 0.07 0.61 -0.14 1.25 5.03 0.11 -2.63 116.97 121.28 1u19 h TYR 60 Ca 0.04 -0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 1u19 h TYR 60 Cb 0.11 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.19 1u19 h TYR 60 CO -0.03 0.51 0.07 0.28 -1.32 0.00 0.00 178.16 177.67 1u19 h VAL 61 N 0.53 1.10 -0.58 1.81 2.07 -0.80 -1.76 116.25 118.62 1u19 h VAL 61 Ca 0.14 -0.27 0.10 0.00 0.82 0.00 0.00 66.70 67.50 1u19 h VAL 61 Cb 0.13 1.03 -0.08 0.00 -1.52 0.00 0.00 31.29 30.85 1u19 h VAL 61 CO -0.02 0.09 0.14 0.74 0.02 0.00 0.00 177.57 178.54 1u19 h THR 62 N 0.12 0.69 0.14 2.57 2.02 -1.25 -1.91 112.91 115.28 1u19 h THR 62 Ca 0.05 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1u19 h THR 62 Cb 0.08 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1u19 h THR 62 CO -0.01 0.05 -0.07 0.58 0.37 0.00 0.00 175.52 176.45 1u19 h VAL 63 N 0.29 1.03 -0.80 3.16 2.07 -1.33 -3.23 116.25 117.43 1u19 h VAL 63 Ca 0.30 -0.82 0.13 0.00 0.82 0.00 0.00 66.70 67.12 1u19 h VAL 63 Cb 0.42 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.66 1u19 h VAL 63 CO -0.36 0.19 0.52 -0.61 0.02 0.00 0.00 177.57 177.33 1u19 h GLN 64 N -0.59 0.58 -4.90 1.57 4.15 -1.00 -3.34 115.11 111.58 1u19 h GLN 64 Ca -0.02 -0.03 -0.69 0.00 0.77 0.00 0.00 58.65 58.68 1u19 h GLN 64 Cb 0.45 -0.13 -0.18 0.00 0.21 0.00 0.00 27.48 27.83 1u19 h GLN 64 CO 0.03 0.38 0.51 -1.01 -1.93 0.00 0.00 178.83 176.81 1u19 s HIS 65 N -5.57 3.06 -0.24 3.99 3.76 -0.75 -3.52 115.29 116.03 1u19 s HIS 65 Ca -0.09 -1.17 0.05 0.00 -0.15 0.00 0.00 55.06 53.70 1u19 s HIS 65 Cb 0.21 -4.17 0.27 0.00 1.11 0.00 0.00 32.58 30.01 1u19 s HIS 65 CO 0.78 -1.42 0.96 1.63 -0.85 0.00 0.00 174.74 175.84 1u19 n LYS 66 N 6.46 0.04 -0.00 1.40 4.01 0.13 -0.79 118.16 129.41 1u19 n LYS 66 Ca 0.08 0.39 0.09 0.00 -0.51 0.00 0.00 58.31 58.36 1u19 n LYS 66 Cb 0.46 -1.92 -0.11 0.00 -0.51 0.00 0.00 35.03 32.95 1u19 n LYS 66 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1u19 n LYS 67 N -1.59 0.86 -1.82 1.97 4.76 -1.26 -4.65 118.16 116.42 1u19 n LYS 67 Ca -0.00 -0.03 -0.39 0.00 -2.87 0.00 0.00 58.31 55.01 1u19 n LYS 67 Cb 0.31 -1.38 -0.03 0.00 -1.84 0.00 0.00 35.03 32.09 1u19 n LYS 67 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1u19 n LEU 68 N -1.56 4.66 -0.94 -0.35 4.77 0.03 -4.54 117.00 119.07 1u19 n LEU 68 Ca 0.02 -3.47 0.05 0.00 -0.03 0.00 0.00 56.01 52.58 1u19 n LEU 68 Cb 0.32 -1.53 0.13 0.00 -2.33 0.00 0.00 43.42 40.01 1u19 n LEU 68 CO 0.38 -0.28 0.24 0.54 -1.33 0.00 0.00 177.39 176.94 1u19 n ARG 69 N 7.42 0.94 -1.96 3.23 5.12 -1.26 -4.77 116.66 125.37 1u19 n ARG 69 Ca 0.49 -2.75 -0.28 0.00 -1.93 0.00 0.00 57.85 53.38 1u19 n ARG 69 Cb 0.43 -0.96 0.08 0.00 -1.16 0.00 0.00 32.46 30.85 1u19 n ARG 69 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1u19 s THR 70 N -1.91 2.11 0.44 0.55 -4.23 -1.26 -4.72 115.64 106.62 1u19 s THR 70 Ca 0.36 -0.04 0.11 0.00 -1.18 0.00 0.00 61.69 60.94 1u19 s THR 70 Cb 0.37 -3.02 0.29 0.00 1.34 0.00 0.00 72.50 71.49 1u19 s THR 70 CO -0.11 -0.02 2.04 -0.65 -0.54 0.00 0.00 174.62 175.34 1u19 h PRO 71 N -0.95 0.41 -0.34 3.99 0.11 -1.89 -1.60 132.00 131.73 1u19 h PRO 71 Ca -0.46 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.46 1u19 h PRO 71 Cb 1.32 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1u19 h PRO 71 CO 0.65 0.27 -0.45 1.25 -0.21 0.00 0.00 178.00 179.50 1u19 h LEU 72 N 0.42 0.98 -1.68 2.35 5.85 -1.99 -1.62 115.31 119.61 1u19 h LEU 72 Ca 0.19 -0.50 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 1u19 h LEU 72 Cb 0.21 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1u19 h LEU 72 CO -0.05 1.29 -0.17 0.78 -0.34 0.00 0.00 178.44 179.95 1u19 h ASN 73 N 0.70 0.00 0.20 1.25 2.35 -1.64 -1.52 115.58 116.92 1u19 h ASN 73 Ca 0.04 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1u19 h ASN 73 Cb 1.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1u19 h ASN 73 CO 0.11 0.17 -0.10 1.88 -1.65 0.00 0.00 177.43 177.84 1u19 h TYR 74 N 0.00 -0.25 -0.94 1.19 0.05 -1.10 -2.74 116.97 113.17 1u19 h TYR 74 Ca -0.00 -0.01 0.18 0.00 0.05 0.00 0.00 58.73 58.95 1u19 h TYR 74 Cb 0.32 0.08 -0.08 0.00 1.01 0.00 0.00 36.73 38.06 1u19 h TYR 74 CO 0.00 0.05 0.60 0.82 -1.05 0.00 0.00 178.16 178.58 1u19 h ILE 75 N -0.99 0.75 0.00 -2.88 1.08 -1.17 0.25 117.51 114.54 1u19 h ILE 75 Ca -0.03 -0.22 -0.05 0.00 -0.39 0.00 0.00 64.86 64.17 1u19 h ILE 75 Cb 0.42 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.21 1u19 h ILE 75 CO 0.05 0.12 -0.23 -0.07 -0.69 0.00 0.00 178.15 177.32 1u19 h LEU 76 N 0.64 0.00 -0.22 1.44 4.07 -1.38 -1.20 115.31 118.67 1u19 h LEU 76 Ca 0.50 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 58.26 1u19 h LEU 76 Cb 0.92 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.66 1u19 h LEU 76 CO -0.25 0.23 -0.64 0.25 -1.08 0.00 0.00 178.44 176.95 1u19 h LEU 77 N 0.00 0.94 -0.10 1.67 5.85 -0.30 -2.11 115.31 121.27 1u19 h LEU 77 Ca -0.00 -0.58 0.03 0.00 0.84 0.00 0.00 57.88 58.17 1u19 h LEU 77 Cb 1.16 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 1u19 h LEU 77 CO 0.03 1.36 -0.09 -1.13 -0.34 0.00 0.00 178.44 178.27 1u19 h ASN 78 N 0.58 -0.28 -0.88 1.25 -1.24 -0.75 -1.35 115.58 112.89 1u19 h ASN 78 Ca -0.02 0.06 0.03 0.00 0.71 0.00 0.00 56.30 57.08 1u19 h ASN 78 Cb 1.26 0.14 -0.05 0.00 0.73 0.00 0.00 38.32 40.40 1u19 h ASN 78 CO 0.14 -0.13 0.58 -0.07 -1.29 0.00 0.00 177.43 176.66 1u19 h LEU 79 N -0.11 0.96 -0.85 0.34 4.07 -1.13 -0.73 115.31 117.87 1u19 h LEU 79 Ca 0.07 -0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.93 1u19 h LEU 79 Cb 0.21 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 1u19 h LEU 79 CO -0.16 0.67 -0.04 0.00 -1.08 0.00 0.00 178.44 177.83 1u19 h ALA 80 N 1.48 1.04 -0.11 1.53 0.00 -0.69 0.22 119.26 122.73 1u19 h ALA 80 Ca 0.34 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1u19 h ALA 80 Cb -0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1u19 h ALA 80 CO -0.10 0.59 -0.05 0.28 0.00 0.00 0.00 179.25 179.97 1u19 h VAL 81 N 0.75 1.32 -0.24 0.00 2.07 -0.41 -1.56 116.25 118.18 1u19 h VAL 81 Ca 0.14 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1u19 h VAL 81 Cb 0.51 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1u19 h VAL 81 CO 0.03 0.31 0.10 0.00 0.02 0.00 0.00 177.57 178.03 1u19 h ALA 82 N 0.64 1.73 0.00 1.67 0.00 -0.98 -1.45 119.26 120.88 1u19 h ALA 82 Ca 0.02 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1u19 h ALA 82 Cb 0.51 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1u19 h ALA 82 CO 0.02 0.22 -0.72 -0.44 0.00 0.00 0.00 179.25 178.33 1u19 h ASP 83 N 0.33 0.00 0.91 0.00 3.32 -0.76 -2.19 116.42 118.03 1u19 h ASP 83 Ca 0.08 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 1u19 h ASP 83 Cb 0.06 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1u19 h ASP 83 CO -0.01 0.72 -0.63 -0.07 -1.72 0.00 0.00 179.24 177.53 1u19 h LEU 84 N 0.00 0.00 -0.52 1.55 3.38 -0.29 -1.75 115.31 117.68 1u19 h LEU 84 Ca -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 1u19 h LEU 84 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1u19 h LEU 84 CO 0.09 0.63 -0.56 -0.26 0.09 0.00 0.00 178.44 178.43 1u19 h PHE 85 N 0.00 0.67 0.52 1.13 0.04 -1.11 -1.64 116.94 116.55 1u19 h PHE 85 Ca -0.01 -0.24 -0.03 0.00 2.80 0.00 0.00 57.97 60.50 1u19 h PHE 85 Cb 1.25 -0.13 0.01 0.00 2.20 0.00 0.00 35.95 39.28 1u19 h PHE 85 CO 0.00 0.97 -0.25 0.52 -0.60 0.00 0.00 178.31 178.95 1u19 h MET 86 N 0.41 -0.67 0.39 1.51 2.86 -1.17 1.70 114.93 119.96 1u19 h MET 86 Ca 0.00 0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1u19 h MET 86 Cb 1.11 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.89 1u19 h MET 86 CO 0.10 -0.42 -0.41 0.28 1.06 0.00 0.00 176.91 177.52 1u19 h VAL 87 N -0.74 0.17 0.13 -2.22 2.07 -1.27 -0.62 116.25 113.77 1u19 h VAL 87 Ca -0.07 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.16 1u19 h VAL 87 Cb 0.55 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1u19 h VAL 87 CO 0.12 0.00 -1.40 -0.26 0.02 0.00 0.00 177.57 176.05 1u19 h PHE 88 N -0.83 0.49 0.44 1.57 0.04 -1.36 -2.86 116.94 114.43 1u19 h PHE 88 Ca -0.03 -0.36 -0.02 0.00 2.80 0.00 0.00 57.97 60.36 1u19 h PHE 88 Cb 0.74 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.88 1u19 h PHE 88 CO -0.24 1.34 -0.21 0.78 -0.60 0.00 0.00 178.31 179.38 1u19 h GLY 89 N 1.59 -0.61 0.00 -1.45 0.00 0.26 -3.38 103.07 99.47 1u19 h GLY 89 Ca -0.19 0.23 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 1u19 h GLY 89 CO 0.19 -0.22 -1.34 0.61 0.00 0.00 0.00 176.54 175.77 1u19 n GLY 90 N -0.53 -0.25 0.26 4.60 0.00 -0.49 -4.62 105.19 104.16 1u19 n GLY 90 Ca -0.10 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 45.94 1u19 n GLY 90 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1u19 h PHE 91 N 0.00 0.00 -0.44 1.61 -1.00 -1.07 0.36 116.94 116.40 1u19 h PHE 91 Ca -0.13 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.52 1u19 h PHE 91 Cb 1.23 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.78 1u19 h PHE 91 CO 0.00 0.09 -0.27 1.79 -1.61 0.00 0.00 178.31 178.31 1u19 h THR 92 N 0.00 1.27 -0.02 -1.55 1.35 -1.69 -1.62 112.91 110.65 1u19 h THR 92 Ca -0.00 -1.43 -0.24 0.00 -0.55 0.00 0.00 66.41 64.19 1u19 h THR 92 Cb 0.21 1.22 0.01 0.00 -1.73 0.00 0.00 68.15 67.86 1u19 h THR 92 CO 0.01 0.49 -0.96 0.74 -0.25 0.00 0.00 175.52 175.55 1u19 h THR 93 N 0.80 1.33 0.00 6.82 2.02 -1.37 -1.62 112.91 120.88 1u19 h THR 93 Ca 0.09 -2.29 -0.06 0.00 0.77 0.00 0.00 66.41 64.92 1u19 h THR 93 Cb 0.84 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.58 1u19 h THR 93 CO 0.07 0.70 -0.30 0.00 0.37 0.00 0.00 175.52 176.36 1u19 h THR 94 N 0.34 0.94 0.22 3.16 1.03 -0.90 0.46 112.91 118.17 1u19 h THR 94 Ca -0.10 -1.14 -0.32 0.00 -0.01 0.00 0.00 66.41 64.84 1u19 h THR 94 Cb 1.60 1.67 0.03 0.00 -1.07 0.00 0.00 68.15 70.38 1u19 h THR 94 CO 0.18 0.29 -1.42 0.25 -0.01 0.00 0.00 175.52 174.81 1u19 h LEU 95 N 0.00 0.79 -0.82 0.00 5.85 -1.29 -1.66 115.31 118.19 1u19 h LEU 95 Ca -0.00 -0.83 -0.06 0.00 0.84 0.00 0.00 57.88 57.82 1u19 h LEU 95 Cb 0.64 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1u19 h LEU 95 CO 0.04 1.65 0.20 0.22 -0.34 0.00 0.00 178.44 180.21 1u19 h TYR 96 N 0.15 1.12 -0.20 1.25 3.20 -0.77 -1.60 116.97 120.13 1u19 h TYR 96 Ca -0.23 -0.11 -0.11 0.00 3.14 0.00 0.00 58.73 61.41 1u19 h TYR 96 Cb 2.12 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 40.06 1u19 h TYR 96 CO 0.12 0.90 -0.31 1.15 -1.64 0.00 0.00 178.16 178.37 1u19 h THR 97 N 1.04 1.33 -0.98 1.81 2.02 -0.14 -3.10 112.91 114.89 1u19 h THR 97 Ca 0.22 -1.53 0.02 0.00 0.77 0.00 0.00 66.41 65.89 1u19 h THR 97 Cb 0.31 1.83 -0.05 0.00 -1.74 0.00 0.00 68.15 68.50 1u19 h THR 97 CO -0.01 0.47 0.65 0.28 0.37 0.00 0.00 175.52 177.29 1u19 h SER 98 N 0.24 1.11 0.27 4.18 0.02 -1.14 0.51 113.55 118.74 1u19 h SER 98 Ca 0.02 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1u19 h SER 98 Cb 0.90 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 1u19 h SER 98 CO 0.07 0.79 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.43 1u19 h LEU 99 N 1.30 0.00 -0.18 5.07 3.38 -1.23 -2.68 115.31 120.98 1u19 h LEU 99 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1u19 h LEU 99 Cb -0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1u19 h LEU 99 CO -0.09 0.05 -0.44 1.41 0.09 0.00 0.00 178.44 179.47 1u19 n HIS 100 N -3.51 0.00 -1.00 1.13 8.25 -0.79 -4.99 115.22 114.31 1u19 n HIS 100 Ca -0.02 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1u19 n HIS 100 Cb 0.17 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.28 1u19 n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u19 n GLY 101 N 1.18 0.46 3.60 -1.41 0.00 0.10 -4.47 105.19 104.64 1u19 n GLY 101 Ca 0.03 -0.38 0.01 0.00 0.00 0.00 0.00 46.02 45.68 1u19 n GLY 101 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1u19 s TYR 102 N -1.99 -0.03 -1.30 1.61 1.13 -0.92 -1.47 117.35 114.37 1u19 s TYR 102 Ca 0.00 -0.01 -0.18 0.00 -1.41 0.00 0.00 57.07 55.47 1u19 s TYR 102 Cb 0.00 0.52 0.06 0.00 -1.10 0.00 0.00 41.96 41.44 1u19 s TYR 102 CO 0.00 -0.14 1.77 1.19 -2.51 0.00 0.00 175.55 175.86 1u19 n PHE 103 N -0.38 4.52 -0.34 -3.49 3.72 -0.22 -4.52 117.46 116.75 1u19 n PHE 103 Ca -0.06 -2.78 0.11 0.00 -0.05 0.00 0.00 57.45 54.66 1u19 n PHE 103 Cb 0.62 -2.63 0.30 0.00 -0.94 0.00 0.00 39.48 36.83 1u19 n PHE 103 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 1u19 h VAL 104 N 5.51 0.81 0.00 -4.37 -1.51 -1.88 0.58 116.25 115.40 1u19 h VAL 104 Ca 0.45 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 65.63 1u19 h VAL 104 Cb 0.86 -0.11 0.00 0.00 -2.13 0.00 0.00 31.29 29.91 1u19 h VAL 104 CO 1.47 0.15 0.00 0.49 -1.23 0.00 0.00 177.57 178.46 1u19 n PHE 105 N -4.67 0.00 -3.42 5.19 3.72 -1.26 -4.97 117.46 112.05 1u19 n PHE 105 Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 1u19 n PHE 105 Cb 0.47 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 1u19 n PHE 105 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1u19 n GLY 106 N 0.21 0.69 0.48 1.37 0.00 0.20 -2.63 105.19 105.51 1u19 n GLY 106 Ca 0.00 -0.83 0.29 0.00 0.00 0.00 0.00 46.02 45.48 1u19 n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u19 h PRO 107 N 0.00 0.00 -0.09 1.61 0.13 -1.93 -0.60 132.00 131.11 1u19 h PRO 107 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1u19 h PRO 107 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1u19 h PRO 107 CO 0.00 0.00 0.03 1.15 -0.23 0.00 0.00 178.00 178.95 1u19 h THR 108 N 0.00 1.18 -0.09 1.56 2.02 -1.93 0.92 112.91 116.56 1u19 h THR 108 Ca 0.43 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1u19 h THR 108 Cb 1.88 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 69.64 1u19 h THR 108 CO -0.00 0.15 0.01 1.23 0.37 0.00 0.00 175.52 177.28 1u19 h GLY 109 N -0.04 0.14 1.68 2.16 0.00 -0.87 -1.19 103.07 104.96 1u19 h GLY 109 Ca 0.03 -0.06 -0.15 0.00 0.00 0.00 0.00 47.33 47.15 1u19 h GLY 109 CO -0.00 0.06 -0.61 0.00 0.00 0.00 0.00 176.54 175.98 1u19 h ASN 111 N 0.24 0.91 0.18 0.00 2.35 0.19 0.01 115.58 119.45 1u19 h ASN 111 Ca -0.01 -0.62 -0.01 0.00 -0.55 0.00 0.00 56.30 55.11 1u19 h ASN 111 Cb 1.13 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.24 1u19 h ASN 111 CO 0.10 1.38 -0.09 -0.07 -1.65 0.00 0.00 177.43 177.11 1u19 h LEU 112 N 0.49 -0.20 -0.03 1.61 3.38 -1.14 0.23 115.31 119.66 1u19 h LEU 112 Ca -0.05 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1u19 h LEU 112 Cb 1.36 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 42.10 1u19 h LEU 112 CO 0.15 -0.04 -0.33 -0.08 0.09 0.00 0.00 178.44 178.23 1u19 h GLU 113 N -0.35 -0.45 0.10 1.13 4.22 -1.23 -2.18 114.58 115.81 1u19 h GLU 113 Ca -0.02 0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 1u19 h GLU 113 Cb 0.27 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1u19 h GLU 113 CO 0.04 -0.30 -0.05 0.78 -2.18 0.00 0.00 179.01 177.30 1u19 h GLY 114 N -0.47 -0.13 0.48 1.92 0.00 -0.87 -3.12 103.07 100.87 1u19 h GLY 114 Ca 0.07 0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.47 1u19 h GLY 114 CO -0.29 -0.05 -0.25 -2.75 0.00 0.00 0.00 176.54 173.21 1u19 h PHE 115 N -0.41 -0.66 -0.04 5.60 3.57 -0.51 -1.38 116.94 123.11 1u19 h PHE 115 Ca -0.01 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1u19 h PHE 115 Cb 0.34 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1u19 h PHE 115 CO 0.02 -0.34 -0.36 0.74 -2.23 0.00 0.00 178.31 176.14 1u19 h PHE 116 N -0.40 0.09 -0.08 0.41 0.04 -1.51 0.46 116.94 115.94 1u19 h PHE 116 Ca 0.05 -0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.62 1u19 h PHE 116 Cb 0.47 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 1u19 h PHE 116 CO -0.27 0.43 -0.72 0.00 -0.60 0.00 0.00 178.31 177.15 1u19 h ALA 117 N 1.57 0.59 0.09 2.45 0.00 -1.44 -1.25 119.26 121.27 1u19 h ALA 117 Ca 0.01 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1u19 h ALA 117 Cb 0.67 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1u19 h ALA 117 CO 0.05 0.76 -0.04 1.15 0.00 0.00 0.00 179.25 181.16 1u19 h THR 118 N 0.29 1.17 -0.63 0.00 2.02 -0.81 -1.09 112.91 113.85 1u19 h THR 118 Ca -0.03 -1.11 0.12 0.00 0.77 0.00 0.00 66.41 66.16 1u19 h THR 118 Cb 1.30 1.86 -0.09 0.00 -1.74 0.00 0.00 68.15 69.48 1u19 h THR 118 CO 0.13 0.26 0.13 0.25 0.37 0.00 0.00 175.52 176.66 1u19 h LEU 119 N -0.64 -0.02 -0.07 2.58 6.46 -0.11 0.66 115.31 124.17 1u19 h LEU 119 Ca -0.01 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1u19 h LEU 119 Cb 0.52 0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.62 1u19 h LEU 119 CO 0.02 -0.01 0.02 1.23 -0.62 0.00 0.00 178.44 179.07 1u19 h GLY 120 N 0.25 0.13 1.03 3.75 0.00 -1.18 -0.56 103.07 106.50 1u19 h GLY 120 Ca 0.34 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.52 1u19 h GLY 120 CO -0.44 0.08 0.14 -1.33 0.00 0.00 0.00 176.54 174.99 1u19 h GLY 121 N -0.10 1.09 2.00 4.60 0.00 -0.81 -2.59 103.07 107.26 1u19 h GLY 121 Ca 0.02 -0.69 -0.10 0.00 0.00 0.00 0.00 47.33 46.56 1u19 h GLY 121 CO 0.00 0.64 -0.50 0.83 0.00 0.00 0.00 176.54 177.52 1u19 h GLU 122 N 0.93 0.00 0.00 4.80 4.39 -0.85 -0.66 114.58 123.19 1u19 h GLU 122 Ca 0.20 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.76 1u19 h GLU 122 Cb 0.37 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1u19 h GLU 122 CO 0.00 0.50 -0.66 0.82 -1.16 0.00 0.00 179.01 178.51 1u19 h ILE 123 N 0.00 1.46 -0.05 3.13 2.04 -0.98 -1.49 117.51 121.63 1u19 h ILE 123 Ca -0.00 -2.29 -0.02 0.00 1.00 0.00 0.00 64.86 63.55 1u19 h ILE 123 Cb 0.92 2.24 -0.00 0.00 -0.74 0.00 0.00 36.82 39.24 1u19 h ILE 123 CO 0.06 0.65 -0.04 0.00 0.00 0.00 0.00 178.15 178.82 1u19 h ALA 124 N 1.34 0.07 -0.21 1.87 0.00 -1.06 -0.34 119.26 120.93 1u19 h ALA 124 Ca -0.01 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1u19 h ALA 124 Cb 1.19 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1u19 h ALA 124 CO 0.09 -0.15 -0.02 1.25 0.00 0.00 0.00 179.25 180.41 1u19 h LEU 125 N -0.33 -0.13 -0.80 0.00 5.85 -1.03 -1.48 115.31 117.41 1u19 h LEU 125 Ca 0.01 0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.65 1u19 h LEU 125 Cb 0.53 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1u19 h LEU 125 CO 0.01 -0.04 -0.52 -0.50 -0.34 0.00 0.00 178.44 177.05 1u19 h TRP 126 N 0.04 0.24 0.00 1.25 4.06 -1.32 -2.11 115.95 118.12 1u19 h TRP 126 Ca 0.10 -0.08 -0.01 0.00 2.06 0.00 0.00 58.89 60.96 1u19 h TRP 126 Cb 0.14 -0.05 -0.00 0.00 -1.00 0.00 0.00 29.16 28.25 1u19 h TRP 126 CO -0.20 0.68 -0.05 0.77 -3.56 0.00 0.00 178.44 176.08 1u19 h SER 127 N 0.16 0.00 0.64 -3.49 0.02 -0.42 -2.02 113.55 108.44 1u19 h SER 127 Ca 0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 1u19 h SER 127 Cb 0.98 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 1u19 h SER 127 CO 0.08 0.05 -0.97 -0.07 -1.14 0.00 0.00 176.83 174.79 1u19 h LEU 128 N 0.00 0.26 -0.40 5.07 3.38 -0.59 -2.41 115.31 120.62 1u19 h LEU 128 Ca -0.00 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.59 1u19 h LEU 128 Cb 0.35 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1u19 h LEU 128 CO 0.01 1.08 -0.31 0.58 0.09 0.00 0.00 178.44 179.88 1u19 h VAL 129 N 0.09 1.27 -0.09 1.22 2.07 -1.20 -0.23 116.25 119.39 1u19 h VAL 129 Ca -0.06 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1u19 h VAL 129 Cb 1.63 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1u19 h VAL 129 CO 0.15 0.50 0.06 0.58 0.02 0.00 0.00 177.57 178.88 1u19 h VAL 130 N 0.75 1.02 -0.46 2.57 2.07 -1.44 -0.89 116.25 119.87 1u19 h VAL 130 Ca 0.07 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1u19 h VAL 130 Cb 0.90 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1u19 h VAL 130 CO 0.08 0.02 0.30 -0.07 0.02 0.00 0.00 177.57 177.92 1u19 h LEU 131 N 0.12 0.50 -0.67 2.57 4.07 -1.34 0.14 115.31 120.70 1u19 h LEU 131 Ca 0.03 -0.01 0.13 0.00 0.08 0.00 0.00 57.88 58.11 1u19 h LEU 131 Cb -0.01 -0.12 -0.09 0.00 1.08 0.00 0.00 40.66 41.51 1u19 h LEU 131 CO -0.01 0.36 0.20 0.00 -1.08 0.00 0.00 178.44 177.91 1u19 h ALA 132 N 1.18 0.86 0.16 1.53 0.00 -0.54 1.60 119.26 124.05 1u19 h ALA 132 Ca 0.17 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1u19 h ALA 132 Cb -0.05 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1u19 h ALA 132 CO -0.05 -0.27 -0.08 0.82 0.00 0.00 0.00 179.25 179.67 1u19 h ILE 133 N 0.33 0.00 -0.91 0.00 1.08 -0.38 0.31 117.51 117.94 1u19 h ILE 133 Ca 0.36 -0.05 0.25 0.00 -0.39 0.00 0.00 64.86 65.03 1u19 h ILE 133 Cb 0.55 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 34.14 1u19 h ILE 133 CO -0.41 0.00 0.14 -0.08 -0.69 0.00 0.00 178.15 177.11 1u19 h GLU 134 N -0.27 0.10 -0.56 2.37 4.22 -0.46 1.45 114.58 121.43 1u19 h GLU 134 Ca -0.02 -0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.47 1u19 h GLU 134 Cb 0.17 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1u19 h GLU 134 CO 0.04 0.07 0.28 -0.09 -2.18 0.00 0.00 179.01 177.12 1u19 h ARG 135 N 0.11 0.52 0.57 1.92 9.65 0.24 -1.48 114.38 125.90 1u19 h ARG 135 Ca 0.57 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 59.39 1u19 h ARG 135 Cb 1.17 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 29.64 1u19 h ARG 135 CO -0.76 0.34 -0.27 -0.92 2.80 0.00 0.00 179.97 181.16 1u19 h TYR 136 N 0.53 -0.71 -1.08 2.20 3.20 0.39 -1.49 116.97 120.01 1u19 h TYR 136 Ca 0.26 -0.02 0.30 0.00 3.14 0.00 0.00 58.73 62.41 1u19 h TYR 136 Cb 0.19 0.23 -0.07 0.00 1.54 0.00 0.00 36.73 38.62 1u19 h TYR 136 CO -0.11 -0.38 0.74 0.28 -1.64 0.00 0.00 178.16 177.06 1u19 h VAL 137 N -0.99 0.48 0.10 1.81 2.07 0.17 0.13 116.25 120.01 1u19 h VAL 137 Ca -0.08 -0.07 -0.24 0.00 0.82 0.00 0.00 66.70 67.14 1u19 h VAL 137 Cb 0.65 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1u19 h VAL 137 CO 0.13 0.03 -1.19 -0.37 0.02 0.00 0.00 177.57 176.19 1u19 h VAL 138 N 0.19 1.16 0.00 2.57 -1.51 -1.14 -2.72 116.25 114.80 1u19 h VAL 138 Ca 0.57 -2.40 0.00 0.00 -1.23 0.00 0.00 66.70 63.64 1u19 h VAL 138 Cb 1.84 2.80 0.00 0.00 -2.13 0.00 0.00 31.29 33.80 1u19 h VAL 138 CO -0.15 0.66 0.00 0.52 -1.23 0.00 0.00 177.57 177.37 1u19 n VAL 139 N -4.05 0.00 1.08 7.19 0.31 -0.57 -3.30 118.33 118.99 1u19 n VAL 139 Ca -0.23 0.87 0.04 0.00 -0.01 0.00 0.00 64.34 65.02 1u19 n VAL 139 Cb 0.84 -1.70 0.23 0.00 -0.91 0.00 0.00 33.84 32.29 1u19 n VAL 139 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u19 n LYS 141 N -0.72 0.00 -0.08 0.00 4.81 -1.02 -4.87 118.16 116.28 1u19 n LYS 141 Ca 0.06 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.45 1u19 n LYS 141 Cb 0.03 0.00 0.17 0.00 0.02 0.00 0.00 35.03 35.24 1u19 n LYS 141 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1u19 h PRO 142 N 0.94 0.72 -6.54 1.64 0.11 -1.84 -3.44 132.00 123.58 1u19 h PRO 142 Ca 0.00 -0.22 -0.46 0.00 0.11 0.00 0.00 66.00 65.44 1u19 h PRO 142 Cb 0.00 -0.07 0.02 0.00 0.11 0.00 0.00 31.00 31.06 1u19 h PRO 142 CO 0.00 0.78 -0.20 -1.64 -0.21 0.00 0.00 178.00 176.74 1u19 s MET 143 N -4.84 3.17 -0.16 1.05 -1.94 -1.26 -5.01 119.30 110.31 1u19 s MET 143 Ca -0.09 -0.62 0.16 0.00 -1.71 0.00 0.00 55.69 53.44 1u19 s MET 143 Cb 0.14 -2.67 0.69 0.00 2.01 0.00 0.00 34.83 35.01 1u19 s MET 143 CO 0.81 -0.07 1.61 0.43 -0.01 0.00 0.00 175.02 177.79 1u19 n SER 144 N -1.87 4.83 -1.25 3.03 7.64 -1.26 -4.48 113.62 120.25 1u19 n SER 144 Ca -0.01 -2.71 -0.00 0.00 1.01 0.00 0.00 58.87 57.16 1u19 n SER 144 Cb 0.57 -0.59 0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1u19 n SER 144 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1u19 n ASN 145 N 0.58 -0.14 -4.70 6.43 6.94 -1.26 -5.16 115.26 117.95 1u19 n ASN 145 Ca 0.25 -0.80 -0.30 0.00 -0.02 0.00 0.00 54.58 53.71 1u19 n ASN 145 Cb 0.97 0.06 -0.08 0.00 -2.36 0.00 0.00 39.78 38.37 1u19 n ASN 145 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1u19 s PHE 146 N 0.01 3.01 -0.19 -2.53 5.36 -1.26 -5.12 117.98 117.26 1u19 s PHE 146 Ca 0.01 -0.02 -0.13 0.00 -0.96 0.00 0.00 56.93 55.82 1u19 s PHE 146 Cb 0.03 -1.53 0.06 0.00 -0.34 0.00 0.00 43.02 41.24 1u19 s PHE 146 CO -0.01 0.49 0.48 0.50 -1.46 0.00 0.00 175.22 175.22 1u19 s ARG 147 N -2.43 0.50 -0.18 10.12 3.52 -1.26 -4.99 118.95 124.23 1u19 s ARG 147 Ca 0.27 0.81 -0.29 0.00 -0.13 0.00 0.00 55.73 56.39 1u19 s ARG 147 Cb -0.11 0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.35 1u19 s ARG 147 CO 0.19 -0.13 1.55 -0.06 -0.81 0.00 0.00 175.30 176.05 1u19 s PHE 148 N 1.03 2.22 0.93 5.12 0.08 -1.26 -5.01 117.98 121.10 1u19 s PHE 148 Ca -0.06 0.56 -0.12 0.00 0.12 0.00 0.00 56.93 57.42 1u19 s PHE 148 Cb -0.06 -3.90 0.21 0.00 -0.57 0.00 0.00 43.02 38.70 1u19 s PHE 148 CO -0.09 -2.87 1.27 0.20 -0.10 0.00 0.00 175.22 173.62 1u19 s GLY 149 N 3.63 1.81 0.45 4.36 0.00 -1.26 -4.82 107.32 111.48 1u19 s GLY 149 Ca 0.68 -1.49 0.23 0.00 0.00 0.00 0.00 44.72 44.15 1u19 s GLY 149 CO 0.27 -0.71 1.89 0.83 0.00 0.00 0.00 173.10 175.38 1u19 h GLU 150 N -1.46 0.00 0.28 2.90 5.08 -1.95 -2.71 114.58 116.71 1u19 h GLU 150 Ca -0.41 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1u19 h GLU 150 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1u19 h GLU 150 CO 0.33 0.24 -0.14 -2.95 -1.00 0.00 0.00 179.01 175.48 1u19 h ASN 151 N 0.00 -0.34 -0.31 1.42 -1.07 -1.97 -0.51 115.58 112.80 1u19 h ASN 151 Ca -0.00 0.01 0.06 0.00 0.07 0.00 0.00 56.30 56.44 1u19 h ASN 151 Cb 0.63 0.09 -0.06 0.00 -2.07 0.00 0.00 38.32 36.91 1u19 h ASN 151 CO 0.03 -0.24 -0.08 0.45 0.07 0.00 0.00 177.43 177.66 1u19 h HIS 152 N -0.39 -0.18 -0.86 4.14 3.86 -1.85 0.18 115.15 120.05 1u19 h HIS 152 Ca -0.04 0.03 0.14 0.00 -1.16 0.00 0.00 60.37 59.34 1u19 h HIS 152 Cb 0.30 0.13 -0.09 0.00 1.06 0.00 0.00 27.41 28.81 1u19 h HIS 152 CO -0.06 -0.14 0.45 0.00 0.86 0.00 0.00 177.93 179.04 1u19 h ALA 153 N 1.30 1.29 0.00 2.45 0.00 -1.28 1.11 119.26 124.13 1u19 h ALA 153 Ca 0.15 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1u19 h ALA 153 Cb 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1u19 h ALA 153 CO -0.32 -0.06 0.00 0.82 0.00 0.00 0.00 179.25 179.69 1u19 h ILE 154 N 0.66 0.00 0.02 0.00 2.04 0.68 0.34 117.51 121.24 1u19 h ILE 154 Ca 0.46 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1u19 h ILE 154 Cb 0.63 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1u19 h ILE 154 CO -0.35 0.00 -0.01 0.24 0.00 0.00 0.00 178.15 178.03 1u19 h MET 155 N 0.00 -0.02 -0.49 2.37 2.86 0.38 -1.36 114.93 118.67 1u19 h MET 155 Ca 0.00 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1u19 h MET 155 Cb 0.56 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1u19 h MET 155 CO 0.00 0.72 0.29 0.78 1.06 0.00 0.00 176.91 179.75 1u19 h GLY 156 N -0.82 0.69 1.00 8.32 0.00 -0.22 0.72 103.07 112.77 1u19 h GLY 156 Ca -0.00 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.13 1u19 h GLY 156 CO 0.00 0.17 0.50 -2.08 0.00 0.00 0.00 176.54 175.14 1u19 h VAL 157 N 0.57 1.19 -0.27 4.60 2.07 -0.97 -0.41 116.25 123.03 1u19 h VAL 157 Ca 0.20 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 1u19 h VAL 157 Cb 0.04 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 1u19 h VAL 157 CO -0.10 0.19 -0.08 0.00 0.02 0.00 0.00 177.57 177.59 1u19 h ALA 158 N 1.28 1.37 -0.49 1.67 0.00 -0.46 -2.76 119.26 119.87 1u19 h ALA 158 Ca 0.28 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1u19 h ALA 158 Cb -0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1u19 h ALA 158 CO -0.06 0.43 -0.13 0.35 0.00 0.00 0.00 179.25 179.84 1u19 h PHE 159 N 0.40 1.08 -0.37 0.00 3.57 0.45 -2.53 116.94 119.53 1u19 h PHE 159 Ca 0.08 -0.24 -0.04 0.00 3.53 0.00 0.00 57.97 61.31 1u19 h PHE 159 Cb 0.40 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1u19 h PHE 159 CO 0.01 1.03 0.07 1.79 -2.23 0.00 0.00 178.31 178.98 1u19 h THR 160 N 0.81 1.18 0.00 4.41 1.35 -0.84 -1.35 112.91 118.47 1u19 h THR 160 Ca 0.12 -0.67 -0.13 0.00 -0.55 0.00 0.00 66.41 65.18 1u19 h THR 160 Cb 0.69 0.83 -0.02 0.00 -1.73 0.00 0.00 68.15 67.93 1u19 h THR 160 CO 0.05 0.24 -0.64 -0.50 -0.25 0.00 0.00 175.52 174.42 1u19 h TRP 161 N 0.54 0.00 -0.05 4.73 4.06 -1.42 -0.62 115.95 123.19 1u19 h TRP 161 Ca 0.12 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.00 1u19 h TRP 161 Cb 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 1u19 h TRP 161 CO 0.01 0.64 -0.25 0.28 -3.56 0.00 0.00 178.44 175.56 1u19 h VAL 162 N 0.00 1.45 -0.53 1.49 2.07 -1.02 -1.89 116.25 117.82 1u19 h VAL 162 Ca -0.01 -1.70 -0.03 0.00 0.82 0.00 0.00 66.70 65.78 1u19 h VAL 162 Cb 1.31 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 33.46 1u19 h VAL 162 CO 0.08 0.48 0.24 0.24 0.02 0.00 0.00 177.57 178.63 1u19 h MET 163 N -0.28 0.78 -0.43 1.57 2.86 -1.26 -0.08 114.93 118.09 1u19 h MET 163 Ca -0.02 -0.13 -0.12 0.00 -2.06 0.00 0.00 59.70 57.37 1u19 h MET 163 Cb 0.91 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 1u19 h MET 163 CO 0.05 0.67 -0.22 0.00 1.06 0.00 0.00 176.91 178.47 1u19 h ALA 164 N 1.08 0.80 -0.32 6.32 0.00 -1.18 -2.75 119.26 123.21 1u19 h ALA 164 Ca 0.18 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1u19 h ALA 164 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1u19 h ALA 164 CO -0.02 0.65 -0.26 -0.07 0.00 0.00 0.00 179.25 179.55 1u19 h LEU 165 N 0.76 0.67 -2.54 0.00 -0.00 -1.11 0.75 115.31 113.83 1u19 h LEU 165 Ca 0.10 -0.25 0.01 0.00 -0.00 0.00 0.00 57.88 57.75 1u19 h LEU 165 Cb 0.76 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1u19 h LEU 165 CO 0.06 0.90 0.06 0.00 -0.00 0.00 0.00 178.44 179.46 1u19 h ALA 166 N 1.14 1.43 0.00 1.53 0.00 -0.71 0.90 119.26 123.55 1u19 h ALA 166 Ca 0.08 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.66 1u19 h ALA 166 Cb 0.75 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1u19 h ALA 166 CO 0.06 -0.07 -2.23 0.00 0.00 0.00 0.00 179.25 177.00 1u19 h ALA 168 N 0.03 0.23 -0.04 0.00 0.00 -0.59 -3.37 119.26 115.51 1u19 h ALA 168 Ca -0.48 -1.05 -0.20 0.00 0.00 0.00 0.00 54.91 53.18 1u19 h ALA 168 Cb 1.76 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.74 1u19 h ALA 168 CO -0.07 1.10 -0.82 0.00 0.00 0.00 0.00 179.25 179.46 1u19 h ALA 169 N 0.54 0.50 -0.71 0.00 0.00 -1.04 -3.35 119.26 115.20 1u19 h ALA 169 Ca -0.21 -0.65 0.15 0.00 0.00 0.00 0.00 54.91 54.20 1u19 h ALA 169 Cb 2.00 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 19.61 1u19 h ALA 169 CO 0.17 0.79 -0.07 -1.35 0.00 0.00 0.00 179.25 178.79 1u19 h PRO 170 N 0.25 0.06 0.00 0.00 0.11 -1.73 -0.66 132.00 130.02 1u19 h PRO 170 Ca -0.05 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1u19 h PRO 170 Cb 1.42 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.52 1u19 h PRO 170 CO 0.14 0.04 0.10 -2.30 -0.21 0.00 0.00 178.00 175.76 1u19 n PRO 171 N -5.39 0.10 0.00 1.05 -0.02 -1.02 -0.97 135.00 128.75 1u19 n PRO 171 Ca 0.11 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.29 1u19 n PRO 171 Cb 0.41 -1.93 0.21 0.00 -0.02 0.00 0.00 33.50 32.17 1u19 n PRO 171 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1u19 n LEU 172 N -2.06 0.67 -2.21 2.45 4.77 -0.26 -4.24 117.00 116.13 1u19 n LEU 172 Ca -0.01 -0.12 -0.07 0.00 -0.03 0.00 0.00 56.01 55.78 1u19 n LEU 172 Cb 0.12 -0.19 0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1u19 n LEU 172 CO 0.07 0.16 0.10 1.33 -1.33 0.00 0.00 177.39 177.71 1u19 n VAL 173 N -1.35 1.64 -0.06 4.08 0.24 -0.15 -5.00 118.33 117.72 1u19 n VAL 173 Ca 0.06 -3.18 0.00 0.00 -2.04 0.00 0.00 64.34 59.19 1u19 n VAL 173 Cb 0.34 0.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 1u19 n VAL 173 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u19 n GLY 174 N -0.56 0.51 3.19 7.63 0.00 -1.23 -5.04 105.19 109.70 1u19 n GLY 174 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1u19 n GLY 174 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1u19 s TRP 175 N -2.22 3.35 0.00 1.61 -0.00 -1.11 -4.50 118.94 116.08 1u19 s TRP 175 Ca 0.00 -1.88 0.00 0.00 -0.00 0.00 0.00 56.10 54.22 1u19 s TRP 175 Cb 0.00 -2.48 0.00 0.00 -0.00 0.00 0.00 33.47 30.99 1u19 s TRP 175 CO 0.00 -0.83 0.00 0.45 -0.00 0.00 0.00 176.95 176.57 1u19 n SER 176 N 4.68 -2.73 -3.61 5.86 2.88 0.73 -2.43 113.62 119.00 1u19 n SER 176 Ca -0.10 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.42 1u19 n SER 176 Cb 0.43 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.88 1u19 n SER 176 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u19 s ARG 177 N 0.00 0.41 -0.01 -1.46 1.70 -1.26 -4.64 118.95 113.69 1u19 s ARG 177 Ca 0.00 -0.19 -0.15 0.00 -0.47 0.00 0.00 55.73 54.92 1u19 s ARG 177 Cb 0.00 0.17 -0.06 0.00 -0.57 0.00 0.00 34.95 34.49 1u19 s ARG 177 CO 0.00 -0.19 0.41 0.71 -1.08 0.00 0.00 175.30 175.16 1u19 s TYR 178 N -2.50 3.71 -0.04 5.89 2.02 -1.26 -2.52 117.35 122.64 1u19 s TYR 178 Ca 0.11 0.98 -0.06 0.00 -0.37 0.00 0.00 57.07 57.74 1u19 s TYR 178 Cb 0.01 -2.32 0.01 0.00 -0.40 0.00 0.00 41.96 39.27 1u19 s TYR 178 CO -0.04 0.59 0.15 -1.50 -1.57 0.00 0.00 175.55 173.18 1u19 s ILE 179 N -0.89 0.02 0.60 2.71 2.07 -0.27 -4.88 121.20 120.55 1u19 s ILE 179 Ca 0.24 -0.15 -0.20 0.00 -1.41 0.00 0.00 60.65 59.13 1u19 s ILE 179 Cb -0.17 -0.26 -0.03 0.00 0.13 0.00 0.00 42.46 42.13 1u19 s ILE 179 CO 0.13 -0.08 1.32 -2.16 -1.91 0.00 0.00 174.94 172.23 1u19 s PRO 180 N -0.23 2.86 0.14 3.50 0.04 -1.26 -1.51 135.00 138.54 1u19 s PRO 180 Ca -0.03 2.13 0.04 0.00 0.04 0.00 0.00 61.00 63.18 1u19 s PRO 180 Cb -0.03 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1u19 s PRO 180 CO 0.00 -1.37 -0.10 -1.21 0.04 0.00 0.00 177.00 174.36 1u19 s GLU 181 N -3.15 1.04 7.96 4.56 2.02 0.18 -4.78 118.70 126.53 1u19 s GLU 181 Ca 0.77 -1.42 0.00 0.00 0.02 0.00 0.00 54.97 54.34 1u19 s GLU 181 Cb -0.38 -0.62 0.00 0.00 0.10 0.00 0.00 34.13 33.23 1u19 s GLU 181 CO 0.43 0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.20 1u19 n GLY 182 N -0.12 4.02 0.00 -1.39 0.00 -1.26 -0.89 105.19 105.56 1u19 n GLY 182 Ca -0.11 0.05 0.03 0.00 0.00 0.00 0.00 46.02 45.99 1u19 n GLY 182 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1u19 n MET 183 N 13.82 0.81 -2.22 1.61 2.81 -1.20 -4.58 117.12 128.18 1u19 n MET 183 Ca 0.00 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.80 1u19 n MET 183 Cb 0.00 -1.12 -0.00 0.00 -0.71 0.00 0.00 33.22 31.39 1u19 n MET 183 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1u19 n GLN 184 N -0.62 -0.88 -0.01 0.03 1.13 -0.07 -4.85 117.38 112.12 1u19 n GLN 184 Ca 0.05 0.42 0.05 0.00 -1.94 0.00 0.00 57.00 55.57 1u19 n GLN 184 Cb 0.02 -4.38 0.04 0.00 0.11 0.00 0.00 30.24 26.03 1u19 n GLN 184 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1u19 s SER 186 N -0.78 2.21 -0.03 0.00 1.04 -1.26 -4.61 113.70 110.26 1u19 s SER 186 Ca 0.11 -1.15 0.01 0.00 0.48 0.00 0.00 55.95 55.41 1u19 s SER 186 Cb 0.08 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.14 1u19 s SER 186 CO 0.12 -0.38 -0.05 0.00 0.98 0.00 0.00 173.24 173.91 1u19 n GLY 188 N 3.63 4.91 3.75 0.00 0.00 -0.57 -3.53 105.19 113.39 1u19 n GLY 188 Ca -0.21 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 1u19 n GLY 188 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u19 s ILE 189 N -1.10 2.04 -0.58 -0.61 -1.09 -1.26 -1.12 121.20 117.49 1u19 s ILE 189 Ca 0.00 0.01 -0.19 0.00 -2.23 0.00 0.00 60.65 58.25 1u19 s ILE 189 Cb 0.00 -2.68 0.10 0.00 -1.58 0.00 0.00 42.46 38.30 1u19 s ILE 189 CO 0.00 -0.02 0.68 -0.62 -1.23 0.00 0.00 174.94 173.75 1u19 s ASP 190 N -3.84 6.19 0.00 3.58 -1.08 -1.05 -4.63 116.67 115.84 1u19 s ASP 190 Ca 0.64 -1.40 0.16 0.00 -0.52 0.00 0.00 52.55 51.43 1u19 s ASP 190 Cb -0.16 -2.29 0.02 0.00 -1.46 0.00 0.00 42.92 39.03 1u19 s ASP 190 CO 0.55 -1.07 0.87 -1.22 0.52 0.00 0.00 175.17 174.82 1u19 n TYR 191 N 6.23 0.00 -0.05 -5.34 4.01 -1.26 -4.63 117.16 116.11 1u19 n TYR 191 Ca -0.10 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.44 1u19 n TYR 191 Cb 0.43 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.33 1u19 n TYR 191 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1u19 h TYR 192 N 2.05 0.17 -3.15 -0.72 -1.99 -1.86 -3.28 116.97 108.19 1u19 h TYR 192 Ca 0.00 -0.12 -0.64 0.00 2.00 0.00 0.00 58.73 59.97 1u19 h TYR 192 Cb 0.56 -0.01 -0.16 0.00 2.00 0.00 0.00 36.73 39.13 1u19 h TYR 192 CO 0.00 1.42 -0.75 0.95 -0.00 0.00 0.00 178.16 179.78 1u19 s THR 193 N -2.38 2.97 -1.23 -2.88 -4.23 -1.26 -4.45 115.64 102.19 1u19 s THR 193 Ca -0.24 -1.71 0.29 0.00 -1.18 0.00 0.00 61.69 58.85 1u19 s THR 193 Cb 0.04 -2.45 0.33 0.00 1.34 0.00 0.00 72.50 71.76 1u19 s THR 193 CO 0.68 -0.08 1.90 -2.65 -0.54 0.00 0.00 174.62 173.93 1u19 n PRO 194 N 0.20 0.23 -0.22 3.99 -0.02 -1.26 -4.71 135.00 133.22 1u19 n PRO 194 Ca -0.12 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1u19 n PRO 194 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1u19 n PRO 194 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1u19 n HIS 195 N -1.35 0.00 -0.22 6.00 -0.00 -1.26 -4.03 115.22 114.35 1u19 n HIS 195 Ca 0.10 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.31 1u19 n HIS 195 Cb 0.30 0.00 0.27 0.00 -0.12 0.00 0.00 29.99 30.44 1u19 n HIS 195 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1u19 h GLU 196 N 0.02 0.93 -0.73 1.57 5.08 -1.96 -2.66 114.58 116.84 1u19 h GLU 196 Ca 0.00 -0.06 0.21 0.00 -1.00 0.00 0.00 59.36 58.51 1u19 h GLU 196 Cb 0.00 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 1u19 h GLU 196 CO 0.00 0.61 0.77 1.49 -1.00 0.00 0.00 179.01 180.89 1u19 h GLU 197 N 0.96 0.00 0.00 2.33 4.81 -1.99 0.14 114.58 120.82 1u19 h GLU 197 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1u19 h GLU 197 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1u19 h GLU 197 CO -0.09 0.00 0.00 -2.37 -0.73 0.00 0.00 179.01 175.82 1u19 n THR 198 N -3.58 0.56 -3.49 0.32 5.66 -1.03 -5.04 114.28 107.67 1u19 n THR 198 Ca 0.15 -0.63 -0.23 0.00 -3.05 0.00 0.00 64.05 60.30 1u19 n THR 198 Cb 1.02 0.78 0.06 0.00 -1.55 0.00 0.00 70.33 70.64 1u19 n THR 198 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1u19 n ASN 199 N -0.28 -5.13 0.02 1.09 4.13 0.48 -0.19 115.26 115.38 1u19 n ASN 199 Ca 0.00 -0.84 -0.12 0.00 1.68 0.00 0.00 54.58 55.29 1u19 n ASN 199 Cb 0.27 -4.32 -0.09 0.00 -1.54 0.00 0.00 39.78 34.10 1u19 n ASN 199 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 1u19 h ASN 200 N -1.55 -0.09 -0.96 6.41 4.21 -1.68 -3.23 115.58 118.69 1u19 h ASN 200 Ca -0.63 -0.47 0.14 0.00 1.21 0.00 0.00 56.30 56.55 1u19 h ASN 200 Cb 1.34 0.02 -0.08 0.00 -1.12 0.00 0.00 38.32 38.48 1u19 h ASN 200 CO 0.48 0.46 0.61 -0.33 -1.29 0.00 0.00 177.43 177.35 1u19 h GLU 201 N -0.68 0.82 -0.31 0.81 4.39 -1.84 -2.39 114.58 115.38 1u19 h GLU 201 Ca -0.01 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.52 1u19 h GLU 201 Cb 0.55 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1u19 h GLU 201 CO 0.02 0.54 -0.28 0.66 -1.16 0.00 0.00 179.01 178.79 1u19 h SER 202 N 0.85 0.79 -0.71 1.42 4.64 -1.95 -3.01 113.55 115.57 1u19 h SER 202 Ca 0.49 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1u19 h SER 202 Cb 0.63 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 1u19 h SER 202 CO -0.25 1.09 0.45 0.15 -0.87 0.00 0.00 176.83 177.40 1u19 h PHE 203 N 0.51 0.91 -0.83 4.77 3.57 -1.46 -0.57 116.94 123.83 1u19 h PHE 203 Ca 0.05 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1u19 h PHE 203 Cb 0.85 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 1u19 h PHE 203 CO 0.07 0.59 0.55 0.28 -2.23 0.00 0.00 178.31 177.57 1u19 h VAL 204 N 0.96 1.11 0.01 1.41 2.07 -1.39 0.25 116.25 120.68 1u19 h VAL 204 Ca 0.26 -0.34 -0.20 0.00 0.82 0.00 0.00 66.70 67.23 1u19 h VAL 204 Cb -0.08 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.70 1u19 h VAL 204 CO -0.05 0.18 -0.91 0.40 0.02 0.00 0.00 177.57 177.21 1u19 h ILE 205 N 1.00 1.52 -0.23 4.57 2.04 -1.34 -2.13 117.51 122.93 1u19 h ILE 205 Ca 0.34 -2.73 -0.07 0.00 1.00 0.00 0.00 64.86 63.40 1u19 h ILE 205 Cb 0.09 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1u19 h ILE 205 CO -0.11 0.79 -0.18 0.22 0.00 0.00 0.00 178.15 178.87 1u19 h TYR 206 N 0.09 0.43 0.25 1.37 3.20 0.40 -2.16 116.97 120.55 1u19 h TYR 206 Ca -0.05 -0.07 -0.33 0.00 3.14 0.00 0.00 58.73 61.42 1u19 h TYR 206 Cb 1.56 -0.11 0.04 0.00 1.54 0.00 0.00 36.73 39.75 1u19 h TYR 206 CO 0.03 0.56 -1.47 1.98 -1.64 0.00 0.00 178.16 177.63 1u19 h MET 207 N 0.37 0.54 0.00 1.82 4.05 -0.47 -2.11 114.93 119.12 1u19 h MET 207 Ca 0.06 -0.92 0.00 0.00 -0.28 0.00 0.00 59.70 58.57 1u19 h MET 207 Cb 0.53 0.34 0.00 0.00 -0.80 0.00 0.00 31.60 31.67 1u19 h MET 207 CO 0.03 1.44 0.00 0.74 0.23 0.00 0.00 176.91 179.35 1u19 h PHE 208 N 0.13 0.00 0.00 1.39 0.04 -1.32 -0.63 116.94 116.55 1u19 h PHE 208 Ca -0.26 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.33 1u19 h PHE 208 Cb 2.16 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 40.28 1u19 h PHE 208 CO 0.13 0.00 -1.57 0.28 -0.60 0.00 0.00 178.31 176.56 1u19 n VAL 209 N -2.99 1.51 -0.06 -0.55 0.31 -0.82 -1.68 118.33 114.05 1u19 n VAL 209 Ca 0.02 -0.06 -0.12 0.00 -0.01 0.00 0.00 64.34 64.17 1u19 n VAL 209 Cb 0.35 -2.17 0.02 0.00 -0.91 0.00 0.00 33.84 31.13 1u19 n VAL 209 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1u19 h VAL 210 N -1.00 1.29 -1.83 2.52 2.07 -1.51 -1.84 116.25 115.94 1u19 h VAL 210 Ca -0.27 -1.65 -0.64 0.00 0.82 0.00 0.00 66.70 64.96 1u19 h VAL 210 Cb 1.22 1.55 -0.38 0.00 -1.52 0.00 0.00 31.29 32.15 1u19 h VAL 210 CO -0.17 0.53 -0.25 1.41 0.02 0.00 0.00 177.57 179.11 1u19 n HIS 211 N -4.02 3.44 0.00 1.57 8.25 -0.25 -4.41 115.22 119.80 1u19 n HIS 211 Ca -0.03 -3.13 0.00 0.00 -0.26 0.00 0.00 57.72 54.30 1u19 n HIS 211 Cb 0.57 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1u19 n HIS 211 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1u19 n PHE 212 N -0.41 0.00 -0.17 4.41 7.35 -1.22 -4.67 117.46 122.74 1u19 n PHE 212 Ca 0.40 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 57.07 1u19 n PHE 212 Cb 0.49 0.00 0.04 0.00 0.35 0.00 0.00 39.48 40.36 1u19 n PHE 212 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1u19 h ILE 213 N 0.00 0.46 0.85 -2.13 2.04 -1.39 -1.37 117.51 115.98 1u19 h ILE 213 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1u19 h ILE 213 Cb 0.00 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1u19 h ILE 213 CO 0.00 0.00 -0.41 0.40 0.00 0.00 0.00 178.15 178.14 1u19 h ILE 214 N -0.00 0.00 -0.58 -0.67 2.04 -1.58 -1.89 117.51 114.83 1u19 h ILE 214 Ca 0.26 -0.14 0.16 0.00 1.00 0.00 0.00 64.86 66.13 1u19 h ILE 214 Cb 0.39 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 1u19 h ILE 214 CO -0.55 0.00 0.41 -0.65 0.00 0.00 0.00 178.15 177.36 1u19 h PRO 215 N -1.29 0.06 -0.19 2.37 0.11 -1.74 -0.96 132.00 130.37 1u19 h PRO 215 Ca -0.12 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 1u19 h PRO 215 Cb 0.88 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 1u19 h PRO 215 CO 0.19 0.04 0.05 -0.07 -0.21 0.00 0.00 178.00 178.00 1u19 h LEU 216 N 0.07 0.28 -0.10 2.35 -0.00 -1.08 -2.28 115.31 114.55 1u19 h LEU 216 Ca 0.28 -0.23 0.03 0.00 -0.00 0.00 0.00 57.88 57.96 1u19 h LEU 216 Cb 1.01 -0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 41.56 1u19 h LEU 216 CO -0.02 0.43 -0.12 0.40 -0.00 0.00 0.00 178.44 179.13 1u19 h ILE 217 N 0.11 0.67 0.11 1.22 2.04 -0.35 0.25 117.51 121.56 1u19 h ILE 217 Ca 0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.93 1u19 h ILE 217 Cb 0.26 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1u19 h ILE 217 CO 0.00 0.00 -0.52 0.58 0.00 0.00 0.00 178.15 178.21 1u19 h VAL 218 N -0.16 0.01 -0.57 1.67 2.07 -1.43 0.67 116.25 118.51 1u19 h VAL 218 Ca 0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.68 1u19 h VAL 218 Cb 0.27 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 29.98 1u19 h VAL 218 CO -0.19 0.00 0.20 0.40 0.02 0.00 0.00 177.57 178.00 1u19 h ILE 219 N -0.75 0.78 0.02 4.57 2.04 -1.19 0.26 117.51 123.25 1u19 h ILE 219 Ca -0.00 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1u19 h ILE 219 Cb 0.76 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1u19 h ILE 219 CO -0.29 0.07 -0.01 -0.26 0.00 0.00 0.00 178.15 177.66 1u19 h PHE 220 N 0.38 -0.03 0.21 1.37 0.04 -0.08 -2.46 116.94 116.37 1u19 h PHE 220 Ca 0.29 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.07 1u19 h PHE 220 Cb 0.34 0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.47 1u19 h PHE 220 CO -0.17 0.45 -0.38 0.35 -0.60 0.00 0.00 178.31 177.96 1u19 h PHE 221 N -0.53 -1.04 -1.31 -0.55 3.04 0.55 0.17 116.94 117.28 1u19 h PHE 221 Ca -0.00 0.02 0.39 0.00 3.98 0.00 0.00 57.97 62.36 1u19 h PHE 221 Cb 0.50 0.43 -0.10 0.00 2.56 0.00 0.00 35.95 39.34 1u19 h PHE 221 CO 0.09 -0.50 0.88 0.00 -2.02 0.00 0.00 178.31 176.76 1u19 h TYR 223 N 0.14 0.55 0.00 0.00 3.20 -0.51 -2.02 116.97 118.33 1u19 h TYR 223 Ca 0.73 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 62.44 1u19 h TYR 223 Cb 2.40 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 40.55 1u19 h TYR 223 CO -0.00 0.81 0.05 0.41 -1.64 0.00 0.00 178.16 177.78 1u19 n GLY 224 N 0.14 -0.20 0.11 1.82 0.00 0.24 -0.74 105.19 106.56 1u19 n GLY 224 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 1u19 n GLY 224 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u19 n GLN 225 N -1.15 0.55 -0.53 1.61 1.13 -0.78 -4.14 117.38 114.07 1u19 n GLN 225 Ca 0.00 0.44 -0.02 0.00 -1.94 0.00 0.00 57.00 55.49 1u19 n GLN 225 Cb 0.05 -1.63 -0.02 0.00 0.11 0.00 0.00 30.24 28.74 1u19 n GLN 225 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1u19 n LEU 226 N -4.42 4.91 -0.08 1.08 4.32 0.08 -3.14 117.00 119.76 1u19 n LEU 226 Ca -0.32 -2.34 -0.15 0.00 -0.02 0.00 0.00 56.01 53.18 1u19 n LEU 226 Cb 0.65 -1.08 -0.05 0.00 -1.62 0.00 0.00 43.42 41.32 1u19 n LEU 226 CO 0.13 1.03 -0.87 0.55 -1.22 0.00 0.00 177.39 177.01 1u19 n VAL 227 N 1.70 1.22 0.06 4.08 3.14 -1.03 -4.53 118.33 122.97 1u19 n VAL 227 Ca 0.06 -0.06 -0.10 0.00 -2.96 0.00 0.00 64.34 61.28 1u19 n VAL 227 Cb 0.52 -1.92 0.01 0.00 -1.06 0.00 0.00 33.84 31.40 1u19 n VAL 227 CO 0.00 0.00 0.00 0.15 -6.46 0.00 0.00 176.83 170.52 1u19 h PHE 228 N -0.70 0.50 0.00 1.45 3.57 -1.79 -3.43 116.94 116.55 1u19 h PHE 228 Ca -0.28 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 60.98 1u19 h PHE 228 Cb 1.12 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1u19 h PHE 228 CO -0.16 1.01 0.00 2.41 -2.23 0.00 0.00 178.31 179.34 1u19 n THR 229 N -3.79 0.00 -1.61 4.41 -1.04 -1.23 -4.89 114.28 106.13 1u19 n THR 229 Ca -0.05 0.00 -0.55 0.00 -2.04 0.00 0.00 64.05 61.41 1u19 n THR 229 Cb 0.74 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.19 1u19 n THR 229 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1u19 n VAL 230 N 0.00 0.06 -4.45 12.58 3.14 -1.26 -4.97 118.33 123.43 1u19 n VAL 230 Ca 0.00 -0.01 -0.26 0.00 -2.96 0.00 0.00 64.34 61.11 1u19 n VAL 230 Cb 0.00 -0.75 -0.10 0.00 -1.06 0.00 0.00 33.84 31.93 1u19 n VAL 230 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1u19 s LYS 231 N 1.13 1.97 0.56 1.45 1.02 -1.26 -4.20 119.74 120.41 1u19 s LYS 231 Ca 0.89 -1.90 0.25 0.00 0.02 0.00 0.00 55.97 55.23 1u19 s LYS 231 Cb -1.05 -1.79 1.60 0.00 -0.52 0.00 0.00 37.83 36.06 1u19 s LYS 231 CO 0.54 0.07 2.20 0.93 -0.92 0.00 0.00 175.35 178.17 1u19 h GLU 232 N 1.84 0.00 -5.55 1.68 5.08 -1.93 -3.38 114.58 112.33 1u19 h GLU 232 Ca -0.43 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.69 1u19 h GLU 232 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1u19 h GLU 232 CO 0.71 0.02 0.77 0.00 -1.00 0.00 0.00 179.01 179.51 1u19 s ALA 233 N -4.74 1.26 -0.22 3.43 0.00 -1.26 -4.90 121.76 115.33 1u19 s ALA 233 Ca -0.05 -0.62 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 1u19 s ALA 233 Cb 0.16 -4.47 -0.02 0.00 0.00 0.00 0.00 23.12 18.78 1u19 s ALA 233 CO 0.59 -5.12 -0.01 0.00 0.00 0.00 0.00 175.76 171.23 1u19 s ALA 234 N 12.80 2.94 0.31 0.00 0.00 -1.26 -5.11 121.76 131.45 1u19 s ALA 234 Ca 0.89 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1u19 s ALA 234 Cb -0.13 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.20 1u19 s ALA 234 CO 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 175.76 175.55 1u19 n ALA 235 N 4.64 0.00 -2.08 0.00 0.00 -1.26 -5.15 120.51 116.67 1u19 n ALA 235 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1u19 n ALA 235 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1u19 n ALA 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u19 n GLN 236 N 0.00 1.68 -1.67 0.00 10.64 -1.26 -5.00 117.38 121.77 1u19 n GLN 236 Ca 0.00 0.00 -0.60 0.00 -1.83 0.00 0.00 57.00 54.57 1u19 n GLN 236 Cb 0.00 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.30 1u19 n GLN 236 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1u19 n GLN 237 N -0.46 0.63 -1.20 2.61 3.00 -1.26 -4.20 117.38 116.50 1u19 n GLN 237 Ca 0.00 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 1u19 n GLN 237 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 30.24 28.42 1u19 n GLN 237 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1u19 n GLN 238 N 3.91 -3.08 -0.00 -1.09 7.27 -1.26 -4.83 117.38 118.29 1u19 n GLN 238 Ca 0.26 2.29 0.01 0.00 0.07 0.00 0.00 57.00 59.63 1u19 n GLN 238 Cb 0.07 -2.41 -0.01 0.00 2.41 0.00 0.00 30.24 30.31 1u19 n GLN 238 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1u19 n GLU 239 N 0.49 4.85 0.00 3.69 4.07 -1.26 -4.69 120.64 127.80 1u19 n GLU 239 Ca 0.00 -0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1u19 n GLU 239 Cb 0.00 -0.69 0.00 0.00 -0.06 0.00 0.00 31.44 30.69 1u19 n GLU 239 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1u19 n SER 240 N -1.17 0.00 0.00 4.31 7.64 -1.26 -4.90 113.62 118.24 1u19 n SER 240 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1u19 n SER 240 Cb 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1u19 n SER 240 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u19 n ALA 241 N 0.00 0.00 0.28 -0.43 0.00 -1.26 -4.79 120.51 114.30 1u19 n ALA 241 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1u19 n ALA 241 Cb 0.00 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.20 1u19 n ALA 241 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1u19 h THR 242 N 0.00 0.00 0.32 0.00 2.02 -1.88 0.27 112.91 113.64 1u19 h THR 242 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1u19 h THR 242 Cb 0.00 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1u19 h THR 242 CO 0.00 0.00 -0.15 0.74 0.37 0.00 0.00 175.52 176.48 1u19 h THR 243 N 0.00 0.00 -0.88 3.16 2.02 -1.98 -1.76 112.91 113.47 1u19 h THR 243 Ca 0.00 -0.09 0.17 0.00 0.77 0.00 0.00 66.41 67.26 1u19 h THR 243 Cb 0.46 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.76 1u19 h THR 243 CO 0.00 0.00 0.45 -0.61 0.37 0.00 0.00 175.52 175.73 1u19 h GLN 244 N -0.52 0.56 0.02 6.66 -0.00 -1.14 -2.41 115.11 118.28 1u19 h GLN 244 Ca -0.04 -0.03 0.01 0.00 -0.00 0.00 0.00 58.65 58.58 1u19 h GLN 244 Cb 0.33 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 27.66 1u19 h GLN 244 CO 0.07 0.37 -0.22 -0.22 0.00 0.00 0.00 178.83 178.83 1u19 h LYS 245 N 0.57 -0.28 0.00 1.69 1.63 -0.52 -0.31 116.57 119.35 1u19 h LYS 245 Ca 0.51 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.33 1u19 h LYS 245 Cb 0.81 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.50 1u19 h LYS 245 CO -0.41 -0.19 0.00 0.00 -3.45 0.00 0.00 179.45 175.40 1u19 n ALA 246 N -2.67 1.33 0.05 5.00 0.00 -0.67 -0.63 120.51 122.92 1u19 n ALA 246 Ca -0.03 -0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 1u19 n ALA 246 Cb 0.17 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.48 1u19 n ALA 246 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1u19 h GLU 247 N 0.00 0.09 0.00 0.00 4.57 -0.70 -3.13 114.58 115.40 1u19 h GLU 247 Ca 0.00 -0.16 -0.06 0.00 -1.18 0.00 0.00 59.36 57.96 1u19 h GLU 247 Cb 0.00 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1u19 h GLU 247 CO 0.00 0.96 -0.29 -0.22 -1.18 0.00 0.00 179.01 178.28 1u19 h LYS 248 N 0.03 0.00 0.05 1.92 3.64 -0.65 -3.02 116.57 118.53 1u19 h LYS 248 Ca -0.13 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1u19 h LYS 248 Cb 1.90 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.72 1u19 h LYS 248 CO 0.14 0.29 -0.02 1.49 -2.27 0.00 0.00 179.45 179.08 1u19 h GLU 249 N 0.00 -0.06 -0.87 1.90 4.81 -1.57 -2.11 114.58 116.67 1u19 h GLU 249 Ca -0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1u19 h GLU 249 Cb 0.59 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.92 1u19 h GLU 249 CO 0.04 0.49 0.53 0.28 -0.73 0.00 0.00 179.01 179.61 1u19 h VAL 250 N -0.67 0.98 -0.64 0.32 2.07 -1.57 -1.37 116.25 115.37 1u19 h VAL 250 Ca -0.01 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1u19 h VAL 250 Cb 0.58 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1u19 h VAL 250 CO 0.01 0.17 0.24 0.74 0.02 0.00 0.00 177.57 178.75 1u19 h THR 251 N 0.92 1.24 -0.90 2.57 2.02 -1.54 0.55 112.91 117.76 1u19 h THR 251 Ca 0.40 -0.77 0.06 0.00 0.77 0.00 0.00 66.41 66.86 1u19 h THR 251 Cb 0.27 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 1u19 h THR 251 CO -0.21 0.30 0.59 -0.09 0.37 0.00 0.00 175.52 176.48 1u19 h ARG 252 N 0.91 1.00 -0.03 6.66 1.12 -0.56 -0.44 114.38 123.04 1u19 h ARG 252 Ca 0.21 -0.06 -0.07 0.00 -1.11 0.00 0.00 59.98 58.95 1u19 h ARG 252 Cb 0.23 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 29.97 1u19 h ARG 252 CO -0.01 0.66 -0.27 1.98 -3.11 0.00 0.00 179.97 179.22 1u19 h MET 253 N 1.03 0.23 -0.21 0.20 4.05 -0.84 -1.90 114.93 117.49 1u19 h MET 253 Ca 0.38 -0.21 0.06 0.00 -0.28 0.00 0.00 59.70 59.66 1u19 h MET 253 Cb 0.17 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 1u19 h MET 253 CO -0.14 0.89 0.21 0.28 0.23 0.00 0.00 176.91 178.38 1u19 h VAL 254 N -0.37 0.56 0.24 -5.77 2.07 -0.41 0.31 116.25 112.88 1u19 h VAL 254 Ca -0.03 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.17 1u19 h VAL 254 Cb 0.97 0.84 0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1u19 h VAL 254 CO 0.05 0.00 -1.41 0.40 0.02 0.00 0.00 177.57 176.63 1u19 h ILE 255 N 0.00 1.30 -0.73 4.57 2.04 -1.00 -3.02 117.51 120.67 1u19 h ILE 255 Ca 0.10 -2.66 -0.06 0.00 1.00 0.00 0.00 64.86 63.25 1u19 h ILE 255 Cb 0.52 3.02 -0.03 0.00 -0.74 0.00 0.00 36.82 39.58 1u19 h ILE 255 CO -0.00 0.80 0.24 0.40 0.00 0.00 0.00 178.15 179.58 1u19 h ILE 256 N 0.13 1.26 -0.23 -0.67 1.08 -0.05 -2.03 117.51 116.99 1u19 h ILE 256 Ca -0.24 -0.88 0.07 0.00 -0.39 0.00 0.00 64.86 63.41 1u19 h ILE 256 Cb 2.11 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 36.31 1u19 h ILE 256 CO 0.27 0.35 0.17 0.24 -0.69 0.00 0.00 178.15 178.48 1u19 h MET 257 N 1.07 0.00 0.02 2.37 2.86 -0.56 -0.57 114.93 120.13 1u19 h MET 257 Ca 0.24 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.66 1u19 h MET 257 Cb 0.29 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.97 1u19 h MET 257 CO -0.01 0.00 -0.86 0.28 1.06 0.00 0.00 176.91 177.38 1u19 h VAL 258 N 0.00 1.36 -0.75 -2.22 2.07 -1.24 -2.69 116.25 112.78 1u19 h VAL 258 Ca 0.11 -2.22 -0.04 0.00 0.82 0.00 0.00 66.70 65.37 1u19 h VAL 258 Cb 0.44 2.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.75 1u19 h VAL 258 CO -0.00 0.66 0.32 0.40 0.02 0.00 0.00 177.57 178.97 1u19 h ILE 259 N 0.11 1.25 -0.54 4.57 1.08 -0.87 -2.29 117.51 120.82 1u19 h ILE 259 Ca -0.11 -0.76 -0.05 0.00 -0.39 0.00 0.00 64.86 63.55 1u19 h ILE 259 Cb 1.55 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 35.63 1u19 h ILE 259 CO 0.17 0.31 0.13 0.00 -0.69 0.00 0.00 178.15 178.07 1u19 h ALA 260 N 1.16 1.23 0.03 1.87 0.00 -1.19 -1.91 119.26 120.45 1u19 h ALA 260 Ca 0.25 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1u19 h ALA 260 Cb 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1u19 h ALA 260 CO -0.02 0.54 -0.02 0.35 0.00 0.00 0.00 179.25 180.10 1u19 h PHE 261 N 0.79 -0.04 -0.47 0.00 3.57 -1.09 -2.44 116.94 117.26 1u19 h PHE 261 Ca 0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1u19 h PHE 261 Cb 0.29 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1u19 h PHE 261 CO 0.02 0.20 0.30 -0.07 -2.23 0.00 0.00 178.31 176.52 1u19 h LEU 262 N -0.27 0.55 -0.70 0.59 3.38 -1.25 0.29 115.31 117.90 1u19 h LEU 262 Ca -0.00 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.03 1u19 h LEU 262 Cb 0.25 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 1u19 h LEU 262 CO 0.01 0.42 0.34 0.40 0.09 0.00 0.00 178.44 179.70 1u19 h ILE 263 N 0.63 0.84 -0.07 1.22 2.04 -1.35 0.59 117.51 121.41 1u19 h ILE 263 Ca 0.17 -0.20 -0.17 0.00 1.00 0.00 0.00 64.86 65.67 1u19 h ILE 263 Cb -0.05 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1u19 h ILE 263 CO -0.03 0.11 -0.67 0.00 0.00 0.00 0.00 178.15 177.55 1u19 n TRP 265 N -3.84 0.00 -0.09 0.00 7.02 0.95 -4.24 117.44 117.24 1u19 n TRP 265 Ca -0.03 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.35 1u19 n TRP 265 Cb 0.67 -0.17 -0.02 0.00 -2.42 0.00 0.00 31.31 29.37 1u19 n TRP 265 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1u19 h LEU 266 N 0.00 0.36 -0.66 -0.99 4.07 -0.00 -0.07 115.31 118.01 1u19 h LEU 266 Ca 0.00 -0.08 0.03 0.00 0.08 0.00 0.00 57.88 57.91 1u19 h LEU 266 Cb 0.38 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 41.99 1u19 h LEU 266 CO 0.00 0.33 0.41 1.55 -1.08 0.00 0.00 178.44 179.65 1u19 h PRO 267 N 0.36 0.77 0.81 1.13 0.13 -1.77 0.48 132.00 133.92 1u19 h PRO 267 Ca 0.10 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 65.15 1u19 h PRO 267 Cb 0.05 -0.17 0.01 0.00 0.13 0.00 0.00 31.00 31.02 1u19 h PRO 267 CO -0.02 0.51 -0.39 -0.92 -0.23 0.00 0.00 178.00 176.95 1u19 h TYR 268 N 0.80 -1.01 -1.00 1.56 3.20 -1.75 -0.79 116.97 117.97 1u19 h TYR 268 Ca 0.27 -0.02 0.21 0.00 3.14 0.00 0.00 58.73 62.33 1u19 h TYR 268 Cb 0.03 0.34 -0.11 0.00 1.54 0.00 0.00 36.73 38.53 1u19 h TYR 268 CO -0.05 -0.63 0.61 0.00 -1.64 0.00 0.00 178.16 176.45 1u19 h ALA 269 N -1.43 1.81 0.05 1.82 0.00 -0.89 0.16 119.26 120.78 1u19 h ALA 269 Ca -0.11 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1u19 h ALA 269 Cb 0.84 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1u19 h ALA 269 CO 0.18 -0.20 -0.02 0.78 0.00 0.00 0.00 179.25 179.98 1u19 h GLY 270 N 0.65 -0.07 1.00 0.00 0.00 0.26 0.94 103.07 105.84 1u19 h GLY 270 Ca 0.59 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.93 1u19 h GLY 270 CO -0.38 -0.03 0.38 -2.08 0.00 0.00 0.00 176.54 174.44 1u19 h VAL 271 N -0.23 1.21 -0.73 4.60 2.07 -0.11 -1.62 116.25 121.43 1u19 h VAL 271 Ca -0.01 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1u19 h VAL 271 Cb 0.21 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1u19 h VAL 271 CO 0.01 0.23 0.48 0.00 0.02 0.00 0.00 177.57 178.32 1u19 h ALA 272 N 1.19 0.94 -0.40 1.67 0.00 -0.49 -1.65 119.26 120.51 1u19 h ALA 272 Ca 0.24 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1u19 h ALA 272 Cb 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1u19 h ALA 272 CO -0.04 0.32 -0.12 0.35 0.00 0.00 0.00 179.25 179.76 1u19 h PHE 273 N 0.97 0.89 0.08 0.00 3.57 -0.49 -2.10 116.94 119.87 1u19 h PHE 273 Ca 0.28 -0.20 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1u19 h PHE 273 Cb -0.08 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.41 1u19 h PHE 273 CO -0.03 0.93 -0.36 -0.92 -2.23 0.00 0.00 178.31 175.70 1u19 h TYR 274 N 0.60 -1.04 -0.88 0.41 3.20 -0.82 0.53 116.97 118.97 1u19 h TYR 274 Ca 0.10 0.03 0.21 0.00 3.14 0.00 0.00 58.73 62.21 1u19 h TYR 274 Cb 0.65 0.44 -0.12 0.00 1.54 0.00 0.00 36.73 39.25 1u19 h TYR 274 CO 0.05 -0.40 0.38 0.82 -1.64 0.00 0.00 178.16 177.37 1u19 h ILE 275 N -0.51 0.49 -0.81 1.81 2.04 -1.33 0.65 117.51 119.86 1u19 h ILE 275 Ca -0.00 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1u19 h ILE 275 Cb 0.51 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 1u19 h ILE 275 CO -0.20 0.07 0.46 0.15 0.00 0.00 0.00 178.15 178.64 1u19 h PHE 276 N 0.41 1.09 -0.05 1.37 3.57 -0.60 0.60 116.94 123.33 1u19 h PHE 276 Ca 0.54 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.03 1u19 h PHE 276 Cb 1.01 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.40 1u19 h PHE 276 CO -0.14 0.75 0.00 0.25 -2.23 0.00 0.00 178.31 176.94 1u19 n THR 277 N -4.43 0.05 -2.70 4.41 -2.24 0.15 -3.88 114.28 105.63 1u19 n THR 277 Ca 0.08 -0.19 -0.07 0.00 -2.27 0.00 0.00 64.05 61.61 1u19 n THR 277 Cb 0.08 0.15 0.05 0.00 -2.10 0.00 0.00 70.33 68.51 1u19 n THR 277 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1u19 n HIS 278 N -0.17 0.62 -1.79 4.78 8.25 0.18 -5.04 115.22 122.05 1u19 n HIS 278 Ca 0.19 -2.51 -0.41 0.00 -0.26 0.00 0.00 57.72 54.72 1u19 n HIS 278 Cb 0.26 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.32 1u19 n HIS 278 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1u19 s GLN 279 N -2.75 4.11 0.00 -0.41 -0.21 0.04 -2.44 119.66 118.00 1u19 s GLN 279 Ca 0.26 2.58 0.00 0.00 0.02 0.00 0.00 55.36 58.22 1u19 s GLN 279 Cb 0.42 -2.99 0.00 0.00 1.00 0.00 0.00 33.01 31.45 1u19 s GLN 279 CO 0.00 -0.58 0.00 0.41 -2.12 0.00 0.00 175.29 173.00 1u19 n GLY 280 N 1.13 2.27 3.59 3.09 0.00 -1.26 -5.02 105.19 108.99 1u19 n GLY 280 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1u19 n GLY 280 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u19 n SER 281 N 0.00 -1.48 -4.19 1.61 3.41 -1.02 -4.16 113.62 107.78 1u19 n SER 281 Ca 0.00 -1.25 -0.44 0.00 -0.26 0.00 0.00 58.87 56.92 1u19 n SER 281 Cb 0.00 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 1u19 n SER 281 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1u19 n ASP 282 N -4.59 5.45 -4.78 4.04 2.03 -1.26 -4.74 116.55 112.71 1u19 n ASP 282 Ca 0.16 -3.10 -0.23 0.00 0.52 0.00 0.00 54.79 52.13 1u19 n ASP 282 Cb 0.58 -1.46 -0.05 0.00 -0.72 0.00 0.00 41.12 39.48 1u19 n ASP 282 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1u19 s PHE 283 N -0.09 3.02 0.55 -0.67 -0.71 -1.26 -5.14 117.98 113.69 1u19 s PHE 283 Ca 0.38 -0.12 0.06 0.00 -1.04 0.00 0.00 56.93 56.21 1u19 s PHE 283 Cb 0.01 -1.38 0.06 0.00 -1.21 0.00 0.00 43.02 40.50 1u19 s PHE 283 CO 0.00 0.54 0.50 0.41 -1.34 0.00 0.00 175.22 175.33 1u19 n GLY 284 N -0.91 2.56 0.28 1.99 0.00 -1.26 -4.70 105.19 103.15 1u19 n GLY 284 Ca -0.08 -2.28 0.04 0.00 0.00 0.00 0.00 46.02 43.70 1u19 n GLY 284 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u19 h PRO 285 N 0.00 0.38 -0.10 1.61 0.13 -1.81 -2.85 132.00 129.35 1u19 h PRO 285 Ca -0.33 -0.04 -0.16 0.00 -0.87 0.00 0.00 66.00 64.60 1u19 h PRO 285 Cb 1.26 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1u19 h PRO 285 CO 0.51 0.32 -0.61 0.82 -0.23 0.00 0.00 178.00 178.81 1u19 h ILE 286 N 0.38 1.37 -0.76 -3.56 1.08 -1.91 -3.12 117.51 110.99 1u19 h ILE 286 Ca 0.10 -1.96 0.07 0.00 -0.39 0.00 0.00 64.86 62.68 1u19 h ILE 286 Cb 0.09 1.96 -0.09 0.00 -3.07 0.00 0.00 36.82 35.71 1u19 h ILE 286 CO -0.01 0.59 -0.45 0.33 -0.69 0.00 0.00 178.15 177.92 1u19 n PHE 287 N -3.89 -0.33 0.67 1.37 7.35 -1.08 -1.45 117.46 120.10 1u19 n PHE 287 Ca -0.03 0.95 0.11 0.00 -0.76 0.00 0.00 57.45 57.72 1u19 n PHE 287 Cb 0.63 -0.56 0.03 0.00 0.35 0.00 0.00 39.48 39.93 1u19 n PHE 287 CO 0.00 0.00 0.00 -0.12 -0.76 0.00 0.00 176.76 175.88 1u19 n MET 288 N -4.92 0.22 -0.18 -4.13 1.56 -1.25 -4.23 117.12 104.20 1u19 n MET 288 Ca 0.02 -0.01 -0.08 0.00 -0.27 0.00 0.00 57.70 57.36 1u19 n MET 288 Cb 0.20 -1.57 0.01 0.00 2.15 0.00 0.00 33.22 34.01 1u19 n MET 288 CO 0.00 0.00 0.00 1.15 -0.73 0.00 0.00 175.97 176.39 1u19 h THR 289 N 0.00 1.21 0.54 1.12 2.02 -1.19 -1.84 112.91 114.77 1u19 h THR 289 Ca 0.00 -0.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 1u19 h THR 289 Cb 0.68 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1u19 h THR 289 CO 0.00 0.24 -0.28 0.40 0.37 0.00 0.00 175.52 176.25 1u19 h ILE 290 N 0.68 0.43 -0.03 3.11 1.08 -1.69 -0.05 117.51 121.04 1u19 h ILE 290 Ca 0.17 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.51 1u19 h ILE 290 Cb 0.16 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.32 1u19 h ILE 290 CO -0.02 0.00 -0.58 1.55 -0.69 0.00 0.00 178.15 178.41 1u19 h PRO 291 N -0.76 0.09 -0.13 2.37 0.13 -1.78 -0.89 132.00 131.04 1u19 h PRO 291 Ca -0.07 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1u19 h PRO 291 Cb 0.59 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1u19 h PRO 291 CO 0.11 0.65 0.07 0.00 -0.23 0.00 0.00 178.00 178.60 1u19 h ALA 292 N 1.34 0.16 0.01 -0.56 0.00 -1.21 -1.30 119.26 117.69 1u19 h ALA 292 Ca -0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1u19 h ALA 292 Cb 1.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1u19 h ALA 292 CO 0.08 -0.29 -0.90 0.74 0.00 0.00 0.00 179.25 178.88 1u19 h PHE 293 N 0.10 0.05 -0.39 0.00 -1.00 -0.98 -3.25 116.94 111.49 1u19 h PHE 293 Ca 0.04 -0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.69 1u19 h PHE 293 Cb 0.08 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 1u19 h PHE 293 CO -0.04 0.91 -0.18 0.35 -1.61 0.00 0.00 178.31 177.74 1u19 h PHE 294 N 0.02 0.82 0.00 -0.55 3.57 -1.04 -2.54 116.94 117.21 1u19 h PHE 294 Ca -0.02 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.31 1u19 h PHE 294 Cb 1.57 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 40.11 1u19 h PHE 294 CO 0.01 0.86 -0.02 0.00 -2.23 0.00 0.00 178.31 176.92 1u19 h ALA 295 N 1.15 1.09 0.00 2.41 0.00 -1.27 -2.31 119.26 120.34 1u19 h ALA 295 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1u19 h ALA 295 Cb 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1u19 h ALA 295 CO 0.05 0.03 0.00 1.63 0.00 0.00 0.00 179.25 180.96 1u19 n LYS 296 N -3.25 0.18 0.00 0.00 5.02 -0.96 -1.45 118.16 117.71 1u19 n LYS 296 Ca -0.02 0.16 0.12 0.00 -2.02 0.00 0.00 58.31 56.56 1u19 n LYS 296 Cb 0.16 -1.50 0.65 0.00 -0.02 0.00 0.00 35.03 34.32 1u19 n LYS 296 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1u19 n THR 297 N -1.29 0.17 0.26 -0.18 -2.24 -0.87 -2.98 114.28 107.15 1u19 n THR 297 Ca 0.06 0.04 0.13 0.00 -2.27 0.00 0.00 64.05 62.02 1u19 n THR 297 Cb 0.10 -0.63 0.65 0.00 -2.10 0.00 0.00 70.33 68.35 1u19 n THR 297 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1u19 h SER 298 N 0.00 0.00 -0.01 3.42 4.64 -1.49 -0.16 113.55 119.95 1u19 h SER 298 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u19 h SER 298 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1u19 h SER 298 CO 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1u19 n ALA 299 N -1.84 2.62 0.00 5.18 0.00 -1.16 -4.40 120.51 120.92 1u19 n ALA 299 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1u19 n ALA 299 Cb 0.12 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1u19 n ALA 299 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1u19 n VAL 300 N -0.30 0.00 0.21 0.00 0.24 -0.14 -4.83 118.33 113.51 1u19 n VAL 300 Ca 0.21 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.57 1u19 n VAL 300 Cb 0.26 -0.27 0.54 0.00 -1.47 0.00 0.00 33.84 32.90 1u19 n VAL 300 CO 0.00 0.00 0.00 0.10 -2.14 0.00 0.00 176.83 174.79 1u19 h TYR 301 N 0.00 0.06 0.09 6.34 -0.00 -1.59 -3.13 116.97 118.74 1u19 h TYR 301 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 58.73 58.75 1u19 h TYR 301 Cb 0.33 -0.02 -0.04 0.00 0.00 0.00 0.00 36.73 37.01 1u19 h TYR 301 CO 0.00 0.13 -0.27 -0.91 -0.00 0.00 0.00 178.16 177.12 1u19 h ASN 302 N 0.06 -0.76 -0.32 0.10 -0.26 -1.86 -1.96 115.58 110.58 1u19 h ASN 302 Ca 0.01 0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 1u19 h ASN 302 Cb 0.16 0.30 -0.02 0.00 -1.06 0.00 0.00 38.32 37.70 1u19 h ASN 302 CO 0.01 -0.35 0.21 -0.65 -1.06 0.00 0.00 177.43 175.59 1u19 h PRO 303 N -0.46 0.41 -0.21 0.81 0.11 -1.91 -1.97 132.00 128.79 1u19 h PRO 303 Ca 0.04 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 1u19 h PRO 303 Cb 0.50 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1u19 h PRO 303 CO -0.17 0.27 0.01 0.28 -0.21 0.00 0.00 178.00 178.19 1u19 h VAL 304 N 0.43 1.24 -0.72 3.15 2.07 -1.46 -0.50 116.25 120.46 1u19 h VAL 304 Ca 0.12 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1u19 h VAL 304 Cb -0.05 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1u19 h VAL 304 CO -0.03 0.25 0.41 0.40 0.02 0.00 0.00 177.57 178.62 1u19 h ILE 305 N 0.13 1.21 0.28 4.57 2.04 -1.01 -1.31 117.51 123.41 1u19 h ILE 305 Ca 0.06 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1u19 h ILE 305 Cb 0.36 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1u19 h ILE 305 CO 0.01 0.23 -0.13 0.22 0.00 0.00 0.00 178.15 178.47 1u19 h TYR 306 N 0.99 -0.35 -0.21 1.37 3.20 -1.05 0.13 116.97 121.05 1u19 h TYR 306 Ca 0.26 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 1u19 h TYR 306 Cb 0.00 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1u19 h TYR 306 CO 0.01 -0.07 -0.20 0.82 -1.64 0.00 0.00 178.16 177.07 1u19 h ILE 307 N -0.59 1.24 0.00 1.81 2.04 -0.93 -1.64 117.51 119.44 1u19 h ILE 307 Ca -0.04 -1.09 -0.13 0.00 1.00 0.00 0.00 64.86 64.60 1u19 h ILE 307 Cb 0.43 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1u19 h ILE 307 CO 0.06 0.34 -0.64 0.24 0.00 0.00 0.00 178.15 178.16 1u19 h MET 308 N 0.33 0.00 -0.35 2.37 2.86 -1.16 -3.33 114.93 115.65 1u19 h MET 308 Ca 0.06 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 1u19 h MET 308 Cb 0.55 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.15 1u19 h MET 308 CO 0.04 0.60 0.01 -1.33 1.06 0.00 0.00 176.91 177.29 1u19 n MET 309 N -3.24 2.52 -3.38 1.72 2.81 0.43 -4.83 117.12 113.14 1u19 n MET 309 Ca 0.01 -2.99 -0.18 0.00 -1.81 0.00 0.00 57.70 52.73 1u19 n MET 309 Cb 0.78 -1.87 -0.09 0.00 -0.71 0.00 0.00 33.22 31.34 1u19 n MET 309 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1u19 s ASN 310 N -2.09 1.50 0.34 7.83 3.84 -0.64 -4.89 114.94 120.82 1u19 s ASN 310 Ca 0.44 -1.39 0.08 0.00 0.21 0.00 0.00 52.86 52.21 1u19 s ASN 310 Cb 0.38 0.45 0.80 0.00 -0.55 0.00 0.00 41.25 42.32 1u19 s ASN 310 CO 0.06 -0.30 1.83 0.50 -2.79 0.00 0.00 177.10 176.39 1u19 h LYS 311 N 7.43 0.70 -0.22 0.43 1.63 -1.87 -0.20 116.57 124.46 1u19 h LYS 311 Ca -0.01 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.64 1u19 h LYS 311 Cb 1.05 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.52 1u19 h LYS 311 CO 0.25 0.46 -0.30 0.37 -3.45 0.00 0.00 179.45 176.78 1u19 h GLN 312 N 0.72 0.59 -0.28 1.90 4.15 -1.92 -1.90 115.11 118.36 1u19 h GLN 312 Ca 0.51 -0.34 -0.18 0.00 0.77 0.00 0.00 58.65 59.41 1u19 h GLN 312 Cb 0.83 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.54 1u19 h GLN 312 CO -0.27 0.95 -0.53 0.35 -1.93 0.00 0.00 178.83 177.39 1u19 h PHE 313 N 0.27 1.03 -0.74 3.99 3.57 -1.76 -1.73 116.94 121.58 1u19 h PHE 313 Ca 0.02 -0.36 0.04 0.00 3.53 0.00 0.00 57.97 61.21 1u19 h PHE 313 Cb 0.88 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.37 1u19 h PHE 313 CO 0.08 1.17 0.45 -0.09 -2.23 0.00 0.00 178.31 177.70 1u19 h ARG 314 N 0.63 0.83 -0.39 1.11 2.43 -1.07 -0.46 114.38 117.46 1u19 h ARG 314 Ca 0.02 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1u19 h ARG 314 Cb 1.13 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1u19 h ARG 314 CO 0.12 0.55 -0.01 -0.91 -1.51 0.00 0.00 179.97 178.20 1u19 h ASN 315 N 0.86 0.70 0.20 -3.80 2.35 -1.25 0.90 115.58 115.53 1u19 h ASN 315 Ca 0.31 -0.32 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1u19 h ASN 315 Cb 0.08 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 1u19 h ASN 315 CO -0.14 0.84 -0.16 0.00 -1.65 0.00 0.00 177.43 176.33 1u19 h MET 317 N 0.00 0.20 -0.68 0.00 1.85 -0.63 -1.15 114.93 114.53 1u19 h MET 317 Ca -0.00 -0.23 -0.00 0.00 -0.61 0.00 0.00 59.70 58.86 1u19 h MET 317 Cb 0.31 0.07 -0.03 0.00 0.43 0.00 0.00 31.60 32.37 1u19 h MET 317 CO 0.02 0.97 0.41 0.28 -0.40 0.00 0.00 176.91 178.18 1u19 h VAL 318 N -0.46 1.19 -0.46 -5.77 2.07 -0.42 0.61 116.25 113.02 1u19 h VAL 318 Ca -0.04 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1u19 h VAL 318 Cb 1.08 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1u19 h VAL 318 CO 0.06 0.20 0.24 0.74 0.02 0.00 0.00 177.57 178.83 1u19 h THR 319 N 0.92 0.99 0.57 2.57 2.02 -0.20 0.97 112.91 120.75 1u19 h THR 319 Ca 0.24 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 1u19 h THR 319 Cb -0.03 0.47 0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1u19 h THR 319 CO -0.05 0.09 -0.27 0.74 0.37 0.00 0.00 175.52 176.40 1u19 h THR 320 N 0.48 0.29 -0.60 3.16 2.02 -0.28 -3.21 112.91 114.76 1u19 h THR 320 Ca 0.19 -0.35 0.12 0.00 0.77 0.00 0.00 66.41 67.14 1u19 h THR 320 Cb 0.08 0.40 -0.09 0.00 -1.74 0.00 0.00 68.15 66.80 1u19 h THR 320 CO -0.12 0.04 0.10 -0.07 0.37 0.00 0.00 175.52 175.84 1u19 h LEU 321 N -1.03 -0.05 -2.31 2.58 3.38 0.28 -0.63 115.31 117.54 1u19 h LEU 321 Ca -0.08 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1u19 h LEU 321 Cb 0.65 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1u19 h LEU 321 CO 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.64 1u19 n GLY 324 N 0.00 0.78 0.00 0.00 0.00 -1.26 -4.82 105.19 99.89 1u19 n GLY 324 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1u19 n GLY 324 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1u19 n LYS 325 N 0.00 0.00 -3.21 1.61 4.81 -1.24 -4.61 118.16 115.51 1u19 n LYS 325 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 1u19 n LYS 325 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1u19 n LYS 325 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1u19 n ASN 326 N 0.00 -7.05 -0.90 3.14 5.15 -1.26 -4.67 115.26 109.67 1u19 n ASN 326 Ca 0.00 -0.17 0.00 0.00 -0.60 0.00 0.00 54.58 53.81 1u19 n ASN 326 Cb 0.00 -4.31 0.00 0.00 -0.53 0.00 0.00 39.78 34.94 1u19 n ASN 326 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1u19 n PRO 327 N -1.61 0.49 0.00 1.20 -0.04 -1.26 -4.77 135.00 129.01 1u19 n PRO 327 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1u19 n PRO 327 Cb 0.55 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 1u19 n PRO 327 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1u19 n LEU 328 N 0.65 0.00 0.00 1.53 7.99 -1.26 -4.28 117.00 121.63 1u19 n LEU 328 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1u19 n LEU 328 Cb 0.22 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.53 1u19 n LEU 328 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 1u19 n GLY 329 N 0.00 0.19 0.00 -0.72 0.00 -1.26 -3.86 105.19 99.54 1u19 n GLY 329 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1u19 n GLY 329 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u19 n ASP 330 N -0.05 1.45 0.00 1.61 10.43 -1.26 -5.11 116.55 123.62 1u19 n ASP 330 Ca 0.00 -1.62 0.00 0.00 2.57 0.00 0.00 54.79 55.74 1u19 n ASP 330 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 1u19 n ASP 330 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1u19 n ASP 331 N -0.31 -0.27 -0.22 -2.24 8.00 -1.25 -3.86 116.55 116.39 1u19 n ASP 331 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 1u19 n ASP 331 Cb 0.23 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.34 1u19 n ASP 331 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1u19 n GLU 332 N 0.00 1.41 0.00 -1.24 0.00 -1.26 -4.79 120.64 114.76 1u19 n GLU 332 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 57.16 56.48 1u19 n GLU 332 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 31.44 30.39 1u19 n GLU 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1u19 n ALA 333 N -0.02 0.00 -2.55 4.31 0.00 -1.25 -4.75 120.51 116.25 1u19 n ALA 333 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1u19 n ALA 333 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1u19 n ALA 333 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1u19 n SER 334 N 0.41 0.70 -3.76 0.00 7.64 -1.26 -5.09 113.62 112.26 1u19 n SER 334 Ca 0.00 -0.20 -0.34 0.00 1.01 0.00 0.00 58.87 59.34 1u19 n SER 334 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1u19 n SER 334 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1u19 n THR 335 N -0.13 0.00 -4.11 0.44 -2.24 -1.26 -5.04 114.28 101.93 1u19 n THR 335 Ca 0.00 -0.47 -0.07 0.00 -2.27 0.00 0.00 64.05 61.24 1u19 n THR 335 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1u19 n THR 335 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1u19 n THR 336 N -2.33 0.00 -3.64 4.28 -2.24 -1.26 -4.55 114.28 104.53 1u19 n THR 336 Ca -0.02 -0.80 -0.02 0.00 -2.27 0.00 0.00 64.05 60.94 1u19 n THR 336 Cb 0.52 0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 69.08 1u19 n THR 336 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1u19 s VAL 337 N -2.33 0.00 0.00 2.28 0.11 -1.26 -4.89 120.40 114.31 1u19 s VAL 337 Ca 0.11 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1u19 s VAL 337 Cb 0.01 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 1u19 s VAL 337 CO 0.08 0.00 0.00 -1.20 -3.33 0.00 0.00 175.10 170.65 1u19 n SER 338 N 0.46 0.47 0.00 3.54 7.64 -1.26 -4.80 113.62 119.68 1u19 n SER 338 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1u19 n SER 338 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1u19 n SER 338 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1u19 n LYS 339 N 0.00 0.00 -0.00 1.43 4.81 -1.23 -0.69 118.16 122.48 1u19 n LYS 339 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.51 1u19 n LYS 339 Cb 0.00 -0.25 -0.09 0.00 0.02 0.00 0.00 35.03 34.70 1u19 n LYS 339 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1u19 n THR 340 N -2.33 0.00 0.00 3.15 5.66 -1.26 -4.69 114.28 114.81 1u19 n THR 340 Ca 0.00 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 1u19 n THR 340 Cb 0.00 0.76 0.00 0.00 -1.55 0.00 0.00 70.33 69.54 1u19 n THR 340 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1u19 n GLU 341 N -1.55 0.00 -1.53 1.09 0.28 -1.26 -4.76 120.64 112.92 1u19 n GLU 341 Ca 0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.68 1u19 n GLU 341 Cb 0.28 0.00 0.04 0.00 1.43 0.00 0.00 31.44 33.19 1u19 n GLU 341 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1u19 n THR 342 N 0.00 3.47 0.78 3.84 5.66 -1.26 -4.38 114.28 122.39 1u19 n THR 342 Ca 0.00 -3.31 0.03 0.00 -3.05 0.00 0.00 64.05 57.72 1u19 n THR 342 Cb 0.00 -1.28 0.13 0.00 -1.55 0.00 0.00 70.33 67.63 1u19 n THR 342 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1u19 n SER 343 N -0.33 1.99 -4.47 1.09 2.88 -1.26 -4.36 113.62 109.16 1u19 n SER 343 Ca 0.53 -2.15 -0.47 0.00 -1.33 0.00 0.00 58.87 55.45 1u19 n SER 343 Cb 0.47 -0.35 -0.07 0.00 -0.75 0.00 0.00 64.21 63.50 1u19 n SER 343 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u19 n GLN 344 N 0.25 0.94 -1.59 -1.46 10.64 -1.26 -4.87 117.38 120.03 1u19 n GLN 344 Ca 0.09 0.21 -0.49 0.00 -1.83 0.00 0.00 57.00 54.98 1u19 n GLN 344 Cb 0.39 -2.51 -0.04 0.00 -0.86 0.00 0.00 30.24 27.22 1u19 n GLN 344 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1u19 n VAL 345 N 7.38 0.69 -3.05 -0.39 0.31 -1.26 -4.94 118.33 117.07 1u19 n VAL 345 Ca 0.44 -0.17 -0.15 0.00 -0.01 0.00 0.00 64.34 64.44 1u19 n VAL 345 Cb 0.26 -0.89 0.01 0.00 -0.91 0.00 0.00 33.84 32.31 1u19 n VAL 345 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u19 n ALA 346 N 1.77 1.16 -1.15 3.52 0.00 -1.26 -5.07 120.51 119.47 1u19 n ALA 346 Ca 0.16 -2.80 0.00 0.00 0.00 0.00 0.00 53.44 50.79 1u19 n ALA 346 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1u19 n ALA 346 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1u19 n PRO 347 N 0.30 0.00 0.00 0.00 -0.02 -1.26 -5.18 135.00 128.84 1u19 n PRO 347 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1u19 n PRO 347 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.15 1u19 n PRO 347 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48